NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
380462 |
1ih9   |
4993 | cing | 4-filtered-FRED | STAR | entry | full | 62 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1ih9
# This FRED archive file contains, for PDB entry <1ih9>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_1ih9
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1ih9
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1714.87
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $Zervamicin_IIB A . 1 1
stop_
save_
save_Zervamicin_IIB
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Zervamicin IIB"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XWIQXITXLXXQXXXPX
_Entity.Number_of_monomers 17
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ACE $ACE 1 1
2 TRP . 1 1
3 ILE . 1 1
4 GLN . 1 1
5 . $. 1 1
6 ILE . 1 1
7 THR . 1 1
8 ABA $ABA 1 1
9 LEU . 1 1
10 ABA $ABA 1 1
11 HYP $HYP 1 1
12 GLN . 1 1
13 ABA $ABA 1 1
14 HYP $HYP 1 1
15 ABA $ABA 1 1
16 PRO . 1 1
17 PHL $PHL 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ACE 1 1 1 1
TRP 2 2 1 1
ILE 3 3 1 1
GLN 4 4 1 1
. 5 5 1 1
ILE 6 6 1 1
THR 7 7 1 1
ABA 8 8 1 1
LEU 9 9 1 1
ABA 10 10 1 1
HYP 11 11 1 1
GLN 12 12 1 1
ABA 13 13 1 1
HYP 14 14 1 1
ABA 15 15 1 1
PRO 16 16 1 1
PHL 17 17 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_ABA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ABA
_Chem_comp.Type non-polymer
save_
save_HYP
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID HYP
_Chem_comp.Type non-polymer
save_
save_PHL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID PHL
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 TRP CB . 2 TRP CB 1 1
1 1 2 1 1 2 TRP H . 2 TRP HN 1 1
2 1 1 1 1 2 TRP H . 2 TRP HN 1 1
2 1 2 1 1 3 ILE H . 3 ILE HN 1 1
3 1 1 1 1 2 TRP HB3 . 2 TRP HB2 1 1
3 1 2 1 1 3 ILE H . 3 ILE HN 1 1
4 1 1 1 1 2 TRP CB . 2 TRP CB 1 1
4 1 2 1 1 3 ILE H . 3 ILE HN 1 1
5 1 1 1 1 3 ILE H . 3 ILE HN 1 1
5 1 2 1 1 4 GLN H . 4 GLN HN 1 1
6 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
6 1 2 1 1 6 ILE H . 6 ILE HN 1 1
7 1 1 1 1 3 ILE HA . 3 ILE HA 1 1
7 1 2 1 1 6 ILE HB . 6 ILE HB 1 1
8 1 1 1 1 4 GLN CB . 4 GLN CB 1 1
8 1 2 1 1 4 GLN H . 4 GLN HN 1 1
9 1 1 1 1 4 GLN HA . 4 GLN HA 1 1
9 1 2 1 1 7 THR H . 7 THR HN 1 1
10 1 1 1 1 6 ILE H . 6 ILE HN 1 1
10 1 2 1 1 7 THR H . 7 THR HN 1 1
11 1 1 1 1 6 ILE HA . 6 ILE HA 1 1
11 1 2 1 1 9 LEU H . 9 LEU HN 1 1
12 1 1 1 1 6 ILE HA . 6 ILE HA 1 1
12 1 2 1 1 9 LEU MD2 . 9 LEU QD1 1 1
13 1 1 1 1 7 THR HA . 7 THR HA 1 1
13 1 2 1 1 9 LEU H . 9 LEU HN 1 1
14 1 1 1 1 9 LEU H . 9 LEU HN 1 1
14 1 2 1 1 9 LEU HG . 9 LEU HG 1 1
15 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
15 1 2 1 1 9 LEU HG . 9 LEU HG 1 1
16 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
16 1 2 1 1 12 GLN H . 12 GLN HN 1 1
17 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
17 1 2 1 1 12 GLN QB . 12 GLN QB 1 1
18 1 1 1 1 11 HYP HD23 . 11 HYP HD23 1 1
18 1 2 1 1 12 GLN H . 12 GLN HN 1 1
19 1 1 1 1 12 GLN H . 12 GLN HN 1 1
19 1 2 1 1 14 HYP HD22 . 14 HYP HD22 1 1
20 1 1 1 1 12 GLN H . 12 GLN HN 1 1
20 1 2 1 1 14 HYP HD23 . 14 HYP HD23 1 1
21 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
21 1 2 1 1 14 HYP HD22 . 14 HYP HD22 1 1
22 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
22 1 2 1 1 14 HYP HD23 . 14 HYP HD23 1 1
23 1 1 1 1 16 PRO QB . 16 PRO HB2 1 1
23 1 2 1 1 17 PHL HA . 17 PHE HA 1 1
24 1 1 1 1 12 GLN H . 12 GLN HN 1 1
24 1 2 1 1 12 GLN QB . 12 GLN QB 1 1
25 1 1 1 1 12 GLN HA . 12 GLN HA 1 1
25 1 2 1 1 12 GLN HG2 . 12 GLN HG2 1 1
26 1 1 1 1 9 LEU H . 9 LEU HN 1 1
26 1 2 1 1 9 LEU QB . 9 LEU HB2 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.14 1 1
2 1 . . . . . . . 3.14 1 1
3 1 . . . . . . . 3.95 1 1
4 1 . . . . . . . 3.68 1 1
5 1 . . . . . . . 3.08 1 1
6 1 . . . . . . . 3.73 1 1
7 1 . . . . . . . 3.05 1 1
8 1 . . . . . . . 3.02 1 1
9 1 . . . . . . . 3.55 1 1
10 1 . . . . . . . 3.14 1 1
11 1 . . . . . . . 3.64 1 1
12 1 . . . . . . . 5.04 1 1
13 1 . . . . . . . 4.29 1 1
14 1 . . . . . . . 2.99 1 1
15 1 . . . . . . . 3.61 1 1
16 1 . . . . . . . 4.79 1 1
17 1 . . . . . . . 6.1 1 1
18 1 . . . . . . . 5.5 1 1
19 1 . . . . . . . 3.98 1 1
20 1 . . . . . . . 5.5 1 1
21 1 . . . . . . . 4.2 1 1
22 1 . . . . . . . 5.27 1 1
23 1 . . . . . . . 5.5 1 1
24 1 . . . . . . . 3.65 1 1
25 1 . . . . . . . 2.62 1 1
26 1 . . . . . . . 2.46 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type 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 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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 TRP H . 2 TRP HN 1 2
1 1 2 1 1 2 TRP HE3 . 2 TRP HE3 1 2
2 1 1 1 1 3 ILE HB . 3 ILE HB 1 2
2 1 2 1 1 4 GLN QE . 4 GLN HE21 1 2
3 1 1 1 1 16 PRO QB . 16 PRO HB2 1 2
3 1 2 1 1 17 PHL HZ . 17 PHE HZ 1 2
4 1 1 1 1 4 GLN HA . 4 GLN HA 1 2
4 1 2 1 1 4 GLN QE . 4 GLN HE21 1 2
5 1 1 1 1 4 GLN QB . 4 GLN HB2 1 2
5 1 2 1 1 4 GLN QE . 4 GLN HE21 1 2
6 1 1 1 1 4 GLN H . 4 GLN HN 1 2
6 1 2 1 1 4 GLN QE . 4 GLN HE22 1 2
7 1 1 1 1 9 LEU HA . 9 LEU HA 1 2
7 1 2 1 1 12 GLN QE . 12 GLN HE22 1 2
8 1 1 1 1 9 LEU QB . 9 LEU HB2 1 2
8 1 2 1 1 12 GLN QE . 12 GLN HE22 1 2
9 1 1 1 1 9 LEU HG . 9 LEU HG 1 2
9 1 2 1 1 12 GLN QE . 12 GLN HE22 1 2
10 1 1 1 1 9 LEU MD2 . 9 LEU QD1 1 2
10 1 2 1 1 12 GLN QE . 12 GLN HE22 1 2
11 1 1 1 1 12 GLN HB2 . 12 GLN HB2 1 2
11 1 2 1 1 12 GLN QE . 12 GLN HE22 1 2
12 1 1 1 1 12 GLN QE . 12 GLN HE22 1 2
12 1 2 1 1 12 GLN HG2 . 12 GLN HG2 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 . . . . . . . 3.0 1 2
2 1 . . . . . . . 3.0 1 2
3 1 . . . . . . . 3.0 1 2
4 1 . . . . . . . 3.0 1 2
5 1 . . . . . . . 3.0 1 2
6 1 . . . . . . . 3.0 1 2
7 1 . . . . . . . 3.0 1 2
8 1 . . . . . . . 3.0 1 2
9 1 . . . . . . . 3.0 1 2
10 1 . . . . . . . 3.0 1 2
11 1 . . . . . . . 3.0 1 2
12 1 . . . . . . . 3.0 1 2
stop_
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 3
_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 3
2 1 . . . 1 3
3 1 . . . 1 3
4 1 . . . 1 3
5 1 . . . 1 3
6 1 . . . 1 3
7 1 . . . 1 3
8 1 . . . 1 3
9 1 . . . 1 3
10 1 . . . 1 3
11 1 . . . 1 3
12 1 . . . 1 3
13 1 . . . 1 3
14 1 . . . 1 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 2 TRP O . 2 TRP O 1 3
1 1 2 1 1 6 ILE H . 6 ILE HN 1 3
2 1 1 1 1 2 TRP C . 2 TRP C 1 3
2 1 2 1 1 6 ILE H . 6 ILE HN 1 3
3 1 1 1 1 2 TRP O . 2 TRP O 1 3
3 1 2 1 1 6 ILE N . 6 ILE N 1 3
4 1 1 1 1 3 ILE O . 3 ILE O 1 3
4 1 2 1 1 7 THR H . 7 THR HN 1 3
5 1 1 1 1 3 ILE C . 3 ILE C 1 3
5 1 2 1 1 7 THR H . 7 THR HN 1 3
6 1 1 1 1 3 ILE O . 3 ILE O 1 3
6 1 2 1 1 7 THR N . 7 THR N 1 3
7 1 1 1 1 4 GLN O . 4 GLN O 1 3
7 1 2 1 1 8 ABA N . 8 AIB N 1 3
8 1 1 1 1 7 THR O . 7 THR O 1 3
8 1 2 1 1 10 ABA N . 10 AIB N 1 3
9 1 1 1 1 9 LEU O . 9 LEU O 1 3
9 1 2 1 1 12 GLN H . 12 GLN HN 1 3
10 1 1 1 1 9 LEU C . 9 LEU C 1 3
10 1 2 1 1 12 GLN H . 12 GLN HN 1 3
11 1 1 1 1 9 LEU O . 9 LEU O 1 3
11 1 2 1 1 12 GLN N . 12 GLN N 1 3
12 1 1 1 1 10 ABA O . 10 AIB O 1 3
12 1 2 1 1 13 ABA N . 13 AIB N 1 3
13 1 1 1 1 11 HYP O . 11 HYP O 1 3
13 1 2 1 1 15 ABA N . 15 AIB N 1 3
14 1 1 1 1 13 ABA O . 13 AIB O 1 3
14 1 2 1 1 17 PHL N . 17 PHE N 1 3
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 3
2 1 . . . . . . . 2.64 1 3
3 1 . . . . . . . 2.56 1 3
4 1 . . . . . . . 1.8 1 3
5 1 . . . . . . . 2.64 1 3
6 1 . . . . . . . 2.56 1 3
7 1 . . . . . . . 2.56 1 3
8 1 . . . . . . . 2.66 1 3
9 1 . . . . . . . 1.9 1 3
10 1 . . . . . . . 2.26 1 3
11 1 . . . . . . . 2.66 1 3
12 1 . . . . . . . 2.66 1 3
13 1 . . . . . . . 2.56 1 3
14 1 . . . . . . . 2.56 1 3
stop_
save_
save_DYANA/DIANA_dihedral_5
_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 TRP N 1 1 2 TRP CA 1 1 2 TRP C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
2 CHI1 1 1 9 LEU N 1 1 9 LEU CA 1 1 9 LEU CB 1 1 9 LEU CG -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1
3 PHI 1 1 2 TRP C 1 1 3 ILE N 1 1 3 ILE CA 1 1 3 ILE C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
4 PHI 1 1 3 ILE C 1 1 4 GLN N 1 1 4 GLN CA 1 1 4 GLN C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
5 PHI 1 1 6 ILE C 1 1 7 THR N 1 1 7 THR CA 1 1 7 THR C -89.99999 -40.0 . . . . . . . . . . . . . . . . 1 1
6 PHI 1 1 8 ABA C 1 1 9 LEU N 1 1 9 LEU CA 1 1 9 LEU C -100.0 -60.0 . . . . . . . . . . . . . . . . 1 1
7 PHI 1 1 11 HYP C 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN C -160.0 -80.0 . . . . . . . . . . . . . . . . 1 1
8 PHI 1 1 16 PRO C 1 1 17 PHL N 1 1 17 PHL CA 1 1 17 PHL C -160.0 -89.99999 . . . . . . . . . . . . . . . . 1 1
9 CHI1 1 1 17 PHL N 1 1 17 PHL CA 1 1 17 PHL CB 1 1 17 PHL CG -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1
10 CHI1 1 1 12 GLN N 1 1 12 GLN CA 1 1 12 GLN CB 1 1 12 GLN CG -89.99999 -30.0 . . . . . . . . . . . . . . . . 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C -11.573 -1.527 -1.101 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C -12.524 -2.725 -1.115 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H -13.576 -2.423 -1.275 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H -12.258 -3.435 -1.921 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H -12.473 -3.283 -0.160 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O -10.493 -1.584 -1.691 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 TRP C C -10.006 0.393 1.002 1.00 . A A . 2 TRP C 1 1
1 8 1 1 2 TRP CA C -11.099 0.700 -0.074 1.00 . A A . 2 TRP CA 1 1
1 9 1 1 2 TRP CB C -12.000 1.911 0.298 1.00 . A A . 2 TRP CB 1 1
1 10 1 1 2 TRP CD1 C -10.915 4.176 -0.509 1.00 . A A . 2 TRP CD1 1 1
1 11 1 1 2 TRP CD2 C -10.855 3.826 1.688 1.00 . A A . 2 TRP CD2 1 1
1 12 1 1 2 TRP CE2 C -10.244 5.070 1.389 1.00 . A A . 2 TRP CE2 1 1
1 13 1 1 2 TRP CE3 C -10.949 3.378 3.030 1.00 . A A . 2 TRP CE3 1 1
1 14 1 1 2 TRP CG C -11.276 3.255 0.498 1.00 . A A . 2 TRP CG 1 1
1 15 1 1 2 TRP CH2 C -9.810 5.409 3.745 1.00 . A A . 2 TRP CH2 1 1
1 16 1 1 2 TRP CZ2 C -9.716 5.872 2.432 1.00 . A A . 2 TRP CZ2 1 1
1 17 1 1 2 TRP CZ3 C -10.420 4.182 4.040 1.00 . A A . 2 TRP CZ3 1 1
1 18 1 1 2 TRP H H -12.910 -0.566 0.037 1.00 . A A . 2 TRP H 1 1
1 19 1 1 2 TRP HA H -10.567 0.974 -1.008 1.00 . A A . 2 TRP HA 1 1
1 20 1 1 2 TRP HB2 H -12.761 2.050 -0.492 1.00 . A A . 2 TRP HB2 1 1
1 21 1 1 2 TRP HB3 H -12.588 1.675 1.207 1.00 . A A . 2 TRP HB3 1 1
1 22 1 1 2 TRP HD1 H -11.115 4.042 -1.562 1.00 . A A . 2 TRP HD1 1 1
1 23 1 1 2 TRP HE1 H -9.908 6.129 -0.479 1.00 . A A . 2 TRP HE1 1 1
1 24 1 1 2 TRP HE3 H -11.420 2.436 3.272 1.00 . A A . 2 TRP HE3 1 1
1 25 1 1 2 TRP HH2 H -9.406 6.004 4.549 1.00 . A A . 2 TRP HH2 1 1
1 26 1 1 2 TRP HZ2 H -9.239 6.817 2.219 1.00 . A A . 2 TRP HZ2 1 1
1 27 1 1 2 TRP HZ3 H -10.485 3.852 5.067 1.00 . A A . 2 TRP HZ3 1 1
1 28 1 1 2 TRP N N -11.978 -0.469 -0.380 1.00 . A A . 2 TRP N 1 1
1 29 1 1 2 TRP NE1 N -10.268 5.309 0.023 1.00 . A A . 2 TRP NE1 1 1
1 30 1 1 2 TRP O O -8.849 0.773 0.804 1.00 . A A . 2 TRP O 1 1
1 31 1 1 3 ILE C C -8.457 -2.041 2.371 1.00 . A A . 3 ILE C 1 1
1 32 1 1 3 ILE CA C -9.347 -0.933 3.014 1.00 . A A . 3 ILE CA 1 1
1 33 1 1 3 ILE CB C -9.939 -1.410 4.392 1.00 . A A . 3 ILE CB 1 1
1 34 1 1 3 ILE CD1 C -11.229 -3.425 5.447 1.00 . A A . 3 ILE CD1 1 1
1 35 1 1 3 ILE CG1 C -11.120 -2.428 4.282 1.00 . A A . 3 ILE CG1 1 1
1 36 1 1 3 ILE CG2 C -10.309 -0.223 5.310 1.00 . A A . 3 ILE CG2 1 1
1 37 1 1 3 ILE H H -11.348 -0.566 2.126 1.00 . A A . 3 ILE H 1 1
1 38 1 1 3 ILE HA H -8.613 -0.134 3.225 1.00 . A A . 3 ILE HA 1 1
1 39 1 1 3 ILE HB H -9.109 -1.925 4.916 1.00 . A A . 3 ILE HB 1 1
1 40 1 1 3 ILE HD11 H -11.343 -2.920 6.424 1.00 . A A . 3 ILE HD11 1 1
1 41 1 1 3 ILE HD12 H -12.103 -4.090 5.317 1.00 . A A . 3 ILE HD12 1 1
1 42 1 1 3 ILE HD13 H -10.334 -4.074 5.507 1.00 . A A . 3 ILE HD13 1 1
1 43 1 1 3 ILE HG12 H -12.080 -1.889 4.163 1.00 . A A . 3 ILE HG12 1 1
1 44 1 1 3 ILE HG13 H -11.027 -3.026 3.358 1.00 . A A . 3 ILE HG13 1 1
1 45 1 1 3 ILE HG21 H -11.132 0.386 4.892 1.00 . A A . 3 ILE HG21 1 1
1 46 1 1 3 ILE HG22 H -10.631 -0.564 6.312 1.00 . A A . 3 ILE HG22 1 1
1 47 1 1 3 ILE HG23 H -9.449 0.455 5.468 1.00 . A A . 3 ILE HG23 1 1
1 48 1 1 3 ILE N N -10.355 -0.308 2.102 1.00 . A A . 3 ILE N 1 1
1 49 1 1 3 ILE O O -7.270 -2.097 2.695 1.00 . A A . 3 ILE O 1 1
1 50 1 1 4 GLN C C -7.127 -3.149 -0.282 1.00 . A A . 4 GLN C 1 1
1 51 1 1 4 GLN CA C -8.172 -3.828 0.652 1.00 . A A . 4 GLN CA 1 1
1 52 1 1 4 GLN CB C -9.113 -4.781 -0.139 1.00 . A A . 4 GLN CB 1 1
1 53 1 1 4 GLN CD C -8.572 -7.084 0.989 1.00 . A A . 4 GLN CD 1 1
1 54 1 1 4 GLN CG C -8.596 -6.232 -0.304 1.00 . A A . 4 GLN CG 1 1
1 55 1 1 4 GLN H H -9.978 -2.714 1.253 1.00 . A A . 4 GLN H 1 1
1 56 1 1 4 GLN HA H -7.593 -4.435 1.378 1.00 . A A . 4 GLN HA 1 1
1 57 1 1 4 GLN HB2 H -10.113 -4.849 0.335 1.00 . A A . 4 GLN HB2 1 1
1 58 1 1 4 GLN HB3 H -9.333 -4.362 -1.141 1.00 . A A . 4 GLN HB3 1 1
1 59 1 1 4 GLN HE21 H -7.605 -8.539 0.010 1.00 . A A . 4 GLN HE21 1 1
1 60 1 1 4 GLN HE22 H -7.974 -8.821 1.784 1.00 . A A . 4 GLN HE22 1 1
1 61 1 1 4 GLN HG2 H -9.238 -6.750 -1.040 1.00 . A A . 4 GLN HG2 1 1
1 62 1 1 4 GLN HG3 H -7.589 -6.212 -0.762 1.00 . A A . 4 GLN HG3 1 1
1 63 1 1 4 GLN N N -8.990 -2.883 1.462 1.00 . A A . 4 GLN N 1 1
1 64 1 1 4 GLN NE2 N -7.980 -8.263 0.923 1.00 . A A . 4 GLN NE2 1 1
1 65 1 1 4 GLN O O -5.998 -3.635 -0.355 1.00 . A A . 4 GLN O 1 1
1 66 1 1 4 GLN OE1 O -9.083 -6.712 2.047 1.00 . A A . 4 GLN OE1 1 1
1 67 1 1 5 . C C -5.413 -0.569 -0.996 1.00 . A A . 5 DIV C 1 1
1 68 1 1 5 . CA C -6.614 -1.201 -1.815 1.00 . A A . 5 DIV CA 1 1
1 69 1 1 5 . CB1 C -6.129 -2.067 -3.025 1.00 . A A . 5 DIV CB1 1 1
1 70 1 1 5 . CB2 C -7.491 -0.025 -2.348 1.00 . A A . 5 DIV CB2 1 1
1 71 1 1 5 . CG1 C -7.117 -2.522 -4.119 1.00 . A A . 5 DIV CG1 1 1
1 72 1 1 5 . H2 H -8.416 -1.682 -0.715 1.00 . A A . 5 DIV H2 1 1
1 73 1 1 5 . HB11 H -5.333 -1.496 -3.485 1.00 . A A . 5 DIV HB11 1 1
1 74 1 1 5 . HB12 H -5.606 -2.971 -2.671 1.00 . A A . 5 DIV HB12 1 1
1 75 1 1 5 . HB21 H -7.894 0.609 -1.538 1.00 . A A . 5 DIV HB21 1 1
1 76 1 1 5 . HB22 H -6.917 0.644 -3.017 1.00 . A A . 5 DIV HB22 1 1
1 77 1 1 5 . HB23 H -8.371 -0.369 -2.922 1.00 . A A . 5 DIV HB23 1 1
1 78 1 1 5 . HG11 H -7.563 -1.668 -4.659 1.00 . A A . 5 DIV HG11 1 1
1 79 1 1 5 . HG12 H -6.603 -3.143 -4.876 1.00 . A A . 5 DIV HG12 1 1
1 80 1 1 5 . HG13 H -7.944 -3.124 -3.700 1.00 . A A . 5 DIV HG13 1 1
1 81 1 1 5 . N N -7.501 -2.041 -0.969 1.00 . A A . 5 DIV N 1 1
1 82 1 1 5 . O O -4.248 -0.724 -1.377 1.00 . A A . 5 DIV O 1 1
1 83 1 1 6 ILE C C -3.793 -0.530 1.763 1.00 . A A . 6 ILE C 1 1
1 84 1 1 6 ILE CA C -4.618 0.621 1.075 1.00 . A A . 6 ILE CA 1 1
1 85 1 1 6 ILE CB C -5.190 1.702 2.071 1.00 . A A . 6 ILE CB 1 1
1 86 1 1 6 ILE CD1 C -6.710 3.850 2.173 1.00 . A A . 6 ILE CD1 1 1
1 87 1 1 6 ILE CG1 C -5.814 2.930 1.330 1.00 . A A . 6 ILE CG1 1 1
1 88 1 1 6 ILE CG2 C -4.134 2.224 3.090 1.00 . A A . 6 ILE CG2 1 1
1 89 1 1 6 ILE H H -6.679 0.185 0.377 1.00 . A A . 6 ILE H 1 1
1 90 1 1 6 ILE HA H -3.885 1.158 0.439 1.00 . A A . 6 ILE HA 1 1
1 91 1 1 6 ILE HB H -5.989 1.213 2.662 1.00 . A A . 6 ILE HB 1 1
1 92 1 1 6 ILE HD11 H -6.164 4.338 2.999 1.00 . A A . 6 ILE HD11 1 1
1 93 1 1 6 ILE HD12 H -7.129 4.660 1.550 1.00 . A A . 6 ILE HD12 1 1
1 94 1 1 6 ILE HD13 H -7.562 3.301 2.611 1.00 . A A . 6 ILE HD13 1 1
1 95 1 1 6 ILE HG12 H -5.017 3.531 0.853 1.00 . A A . 6 ILE HG12 1 1
1 96 1 1 6 ILE HG13 H -6.442 2.589 0.487 1.00 . A A . 6 ILE HG13 1 1
1 97 1 1 6 ILE HG21 H -3.245 2.654 2.589 1.00 . A A . 6 ILE HG21 1 1
1 98 1 1 6 ILE HG22 H -4.539 3.001 3.763 1.00 . A A . 6 ILE HG22 1 1
1 99 1 1 6 ILE HG23 H -3.775 1.419 3.757 1.00 . A A . 6 ILE HG23 1 1
1 100 1 1 6 ILE N N -5.682 0.110 0.148 1.00 . A A . 6 ILE N 1 1
1 101 1 1 6 ILE O O -2.627 -0.291 2.078 1.00 . A A . 6 ILE O 1 1
1 102 1 1 7 THR C C -2.561 -3.471 1.311 1.00 . A A . 7 THR C 1 1
1 103 1 1 7 THR CA C -3.563 -2.950 2.383 1.00 . A A . 7 THR CA 1 1
1 104 1 1 7 THR CB C -4.514 -4.030 2.980 1.00 . A A . 7 THR CB 1 1
1 105 1 1 7 THR CG2 C -3.832 -5.320 3.477 1.00 . A A . 7 THR CG2 1 1
1 106 1 1 7 THR H H -5.318 -1.825 1.662 1.00 . A A . 7 THR H 1 1
1 107 1 1 7 THR HA H -2.929 -2.618 3.214 1.00 . A A . 7 THR HA 1 1
1 108 1 1 7 THR HB H -5.257 -4.319 2.214 1.00 . A A . 7 THR HB 1 1
1 109 1 1 7 THR HG1 H -5.576 -2.651 3.793 1.00 . A A . 7 THR HG1 1 1
1 110 1 1 7 THR HG21 H -4.562 -5.982 3.980 1.00 . A A . 7 THR HG21 1 1
1 111 1 1 7 THR HG22 H -3.394 -5.899 2.642 1.00 . A A . 7 THR HG22 1 1
1 112 1 1 7 THR HG23 H -3.022 -5.110 4.201 1.00 . A A . 7 THR HG23 1 1
1 113 1 1 7 THR N N -4.339 -1.752 1.955 1.00 . A A . 7 THR N 1 1
1 114 1 1 7 THR O O -1.393 -3.633 1.663 1.00 . A A . 7 THR O 1 1
1 115 1 1 7 THR OG1 O -5.210 -3.485 4.096 1.00 . A A . 7 THR OG1 1 1
1 116 1 1 8 ABA C C -0.872 -2.915 -1.301 1.00 . A A . 8 AIB C 1 1
1 117 1 1 8 ABA CA C -2.014 -3.998 -1.094 1.00 . A A . 8 AIB CA 1 1
1 118 1 1 8 ABA N N -2.967 -3.701 0.040 1.00 . A A . 8 AIB N 1 1
1 119 1 1 8 ABA O O 0.289 -3.239 -1.575 1.00 . A A . 8 AIB O 1 1
1 120 1 1 9 LEU C C 0.537 -0.164 0.063 1.00 . A A . 9 LEU C 1 1
1 121 1 1 9 LEU CA C -0.276 -0.479 -1.240 1.00 . A A . 9 LEU CA 1 1
1 122 1 1 9 LEU CB C -1.083 0.742 -1.767 1.00 . A A . 9 LEU CB 1 1
1 123 1 1 9 LEU CD1 C -2.692 1.524 -3.632 1.00 . A A . 9 LEU CD1 1 1
1 124 1 1 9 LEU CD2 C -0.249 1.131 -4.161 1.00 . A A . 9 LEU CD2 1 1
1 125 1 1 9 LEU CG C -1.441 0.694 -3.286 1.00 . A A . 9 LEU CG 1 1
1 126 1 1 9 LEU H H -2.200 -1.483 -0.870 1.00 . A A . 9 LEU H 1 1
1 127 1 1 9 LEU HA H 0.486 -0.695 -2.010 1.00 . A A . 9 LEU HA 1 1
1 128 1 1 9 LEU HB2 H -1.999 0.858 -1.156 1.00 . A A . 9 LEU HB2 1 1
1 129 1 1 9 LEU HB3 H -0.518 1.670 -1.569 1.00 . A A . 9 LEU HB3 1 1
1 130 1 1 9 LEU HD11 H -2.575 2.593 -3.372 1.00 . A A . 9 LEU HD11 1 1
1 131 1 1 9 LEU HD12 H -2.927 1.470 -4.712 1.00 . A A . 9 LEU HD12 1 1
1 132 1 1 9 LEU HD13 H -3.590 1.153 -3.102 1.00 . A A . 9 LEU HD13 1 1
1 133 1 1 9 LEU HD21 H 0.651 0.521 -3.967 1.00 . A A . 9 LEU HD21 1 1
1 134 1 1 9 LEU HD22 H -0.470 1.033 -5.242 1.00 . A A . 9 LEU HD22 1 1
1 135 1 1 9 LEU HD23 H 0.030 2.185 -3.974 1.00 . A A . 9 LEU HD23 1 1
1 136 1 1 9 LEU HG H -1.690 -0.346 -3.559 1.00 . A A . 9 LEU HG 1 1
1 137 1 1 9 LEU N N -1.225 -1.624 -1.159 1.00 . A A . 9 LEU N 1 1
1 138 1 1 9 LEU O O 1.511 0.588 -0.040 1.00 . A A . 9 LEU O 1 1
1 139 1 1 10 ABA C C 2.444 -1.178 2.392 1.00 . A A . 10 AIB C 1 1
1 140 1 1 10 ABA CA C 0.968 -0.602 2.532 1.00 . A A . 10 AIB CA 1 1
1 141 1 1 10 ABA N N 0.188 -0.723 1.254 1.00 . A A . 10 AIB N 1 1
1 142 1 1 10 ABA O O 3.373 -0.412 2.657 1.00 . A A . 10 AIB O 1 1
1 143 1 1 11 HYP C C 4.739 -2.126 0.228 1.00 . A A . 11 HYP C 1 1
1 144 1 1 11 HYP CA C 4.136 -2.824 1.495 1.00 . A A . 11 HYP CA 1 1
1 145 1 1 11 HYP CB C 4.025 -4.352 1.330 1.00 . A A . 11 HYP CB 1 1
1 146 1 1 11 HYP CD C 1.804 -3.543 1.766 1.00 . A A . 11 HYP CD 1 1
1 147 1 1 11 HYP CG C 2.562 -4.616 0.981 1.00 . A A . 11 HYP CG 1 1
1 148 1 1 11 HYP HA H 4.834 -2.632 2.329 1.00 . A A . 11 HYP HA 1 1
1 149 1 1 11 HYP HB2 H 4.714 -4.771 0.574 1.00 . A A . 11 HYP HB2 1 1
1 150 1 1 11 HYP HB3 H 4.278 -4.855 2.282 1.00 . A A . 11 HYP HB3 1 1
1 151 1 1 11 HYP HD1 H 1.296 -5.822 1.787 1.00 . A A . 11 HYP HD1 1 1
1 152 1 1 11 HYP HD22 H 0.909 -3.245 1.208 1.00 . A A . 11 HYP HD22 1 1
1 153 1 1 11 HYP HD23 H 1.500 -3.921 2.763 1.00 . A A . 11 HYP HD23 1 1
1 154 1 1 11 HYP HG H 2.400 -4.480 -0.107 1.00 . A A . 11 HYP HG 1 1
1 155 1 1 11 HYP N N 2.762 -2.436 1.926 1.00 . A A . 11 HYP N 1 1
1 156 1 1 11 HYP O O 5.939 -2.307 -0.009 1.00 . A A . 11 HYP O 1 1
1 157 1 1 11 HYP OD1 O 2.158 -5.920 1.375 1.00 . A A . 11 HYP OD1 1 1
1 158 1 1 12 GLN C C 4.812 1.082 -1.093 1.00 . A A . 12 GLN C 1 1
1 159 1 1 12 GLN CA C 4.546 -0.384 -1.560 1.00 . A A . 12 GLN CA 1 1
1 160 1 1 12 GLN CB C 3.648 -0.391 -2.828 1.00 . A A . 12 GLN CB 1 1
1 161 1 1 12 GLN CD C 2.673 -1.699 -4.815 1.00 . A A . 12 GLN CD 1 1
1 162 1 1 12 GLN CG C 3.342 -1.778 -3.429 1.00 . A A . 12 GLN CG 1 1
1 163 1 1 12 GLN H H 3.033 -1.116 -0.194 1.00 . A A . 12 GLN H 1 1
1 164 1 1 12 GLN HA H 5.543 -0.756 -1.842 1.00 . A A . 12 GLN HA 1 1
1 165 1 1 12 GLN HB2 H 2.693 0.127 -2.620 1.00 . A A . 12 GLN HB2 1 1
1 166 1 1 12 GLN HB3 H 4.143 0.226 -3.596 1.00 . A A . 12 GLN HB3 1 1
1 167 1 1 12 GLN HE21 H 1.082 -2.720 -4.147 1.00 . A A . 12 GLN HE21 1 1
1 168 1 1 12 GLN HE22 H 1.084 -2.183 -5.911 1.00 . A A . 12 GLN HE22 1 1
1 169 1 1 12 GLN HG2 H 4.280 -2.361 -3.500 1.00 . A A . 12 GLN HG2 1 1
1 170 1 1 12 GLN HG3 H 2.708 -2.322 -2.694 1.00 . A A . 12 GLN HG3 1 1
1 171 1 1 12 GLN N N 3.982 -1.295 -0.524 1.00 . A A . 12 GLN N 1 1
1 172 1 1 12 GLN NE2 N 1.484 -2.252 -4.969 1.00 . A A . 12 GLN NE2 1 1
1 173 1 1 12 GLN O O 5.084 1.919 -1.955 1.00 . A A . 12 GLN O 1 1
1 174 1 1 12 GLN OE1 O 3.220 -1.149 -5.768 1.00 . A A . 12 GLN OE1 1 1
1 175 1 1 13 ABA C C 7.099 1.932 1.113 1.00 . A A . 13 AIB C 1 1
1 176 1 1 13 ABA CA C 5.604 2.469 0.885 1.00 . A A . 13 AIB CA 1 1
1 177 1 1 13 ABA N N 4.801 1.388 0.227 1.00 . A A . 13 AIB N 1 1
1 178 1 1 13 ABA O O 8.029 2.488 0.506 1.00 . A A . 13 AIB O 1 1
1 179 1 1 14 HYP C C 9.525 -0.269 0.815 1.00 . A A . 14 HYP C 1 1
1 180 1 1 14 HYP CA C 8.811 0.338 2.060 1.00 . A A . 14 HYP CA 1 1
1 181 1 1 14 HYP CB C 8.722 -0.679 3.217 1.00 . A A . 14 HYP CB 1 1
1 182 1 1 14 HYP CD C 6.461 0.018 2.624 1.00 . A A . 14 HYP CD 1 1
1 183 1 1 14 HYP CG C 7.246 -1.025 3.418 1.00 . A A . 14 HYP CG 1 1
1 184 1 1 14 HYP HA H 9.434 1.180 2.418 1.00 . A A . 14 HYP HA 1 1
1 185 1 1 14 HYP HB2 H 9.302 -1.601 3.014 1.00 . A A . 14 HYP HB2 1 1
1 186 1 1 14 HYP HB3 H 9.151 -0.241 4.140 1.00 . A A . 14 HYP HB3 1 1
1 187 1 1 14 HYP HD1 H 7.105 -0.087 5.088 1.00 . A A . 14 HYP HD1 1 1
1 188 1 1 14 HYP HD22 H 5.792 -0.479 1.915 1.00 . A A . 14 HYP HD22 1 1
1 189 1 1 14 HYP HD23 H 5.835 0.618 3.285 1.00 . A A . 14 HYP HD23 1 1
1 190 1 1 14 HYP HG H 7.034 -2.038 3.029 1.00 . A A . 14 HYP HG 1 1
1 191 1 1 14 HYP N N 7.426 0.846 1.896 1.00 . A A . 14 HYP N 1 1
1 192 1 1 14 HYP O O 10.732 -0.048 0.701 1.00 . A A . 14 HYP O 1 1
1 193 1 1 14 HYP OD1 O 6.897 -0.978 4.797 1.00 . A A . 14 HYP OD1 1 1
1 194 1 1 15 ABA C C 10.131 -0.576 -2.270 1.00 . A A . 15 AIB C 1 1
1 195 1 1 15 ABA CA C 9.471 -1.647 -1.299 1.00 . A A . 15 AIB CA 1 1
1 196 1 1 15 ABA N N 8.845 -1.037 -0.080 1.00 . A A . 15 AIB N 1 1
1 197 1 1 15 ABA O O 11.300 -0.770 -2.631 1.00 . A A . 15 AIB O 1 1
1 198 1 1 16 PRO C C 11.213 2.518 -2.272 1.00 . A A . 16 PRO C 1 1
1 199 1 1 16 PRO CA C 10.280 1.734 -3.238 1.00 . A A . 16 PRO CA 1 1
1 200 1 1 16 PRO CB C 9.191 2.609 -3.885 1.00 . A A . 16 PRO CB 1 1
1 201 1 1 16 PRO CD C 8.102 0.922 -2.469 1.00 . A A . 16 PRO CD 1 1
1 202 1 1 16 PRO CG C 7.915 2.309 -3.102 1.00 . A A . 16 PRO CG 1 1
1 203 1 1 16 PRO HA H 10.937 1.352 -4.023 1.00 . A A . 16 PRO HA 1 1
1 204 1 1 16 PRO HB2 H 9.432 3.688 -3.880 1.00 . A A . 16 PRO HB2 1 1
1 205 1 1 16 PRO HB3 H 9.053 2.331 -4.947 1.00 . A A . 16 PRO HB3 1 1
1 206 1 1 16 PRO HD2 H 7.851 0.970 -1.401 1.00 . A A . 16 PRO HD2 1 1
1 207 1 1 16 PRO HD3 H 7.433 0.157 -2.892 1.00 . A A . 16 PRO HD3 1 1
1 208 1 1 16 PRO HG2 H 7.789 3.066 -2.307 1.00 . A A . 16 PRO HG2 1 1
1 209 1 1 16 PRO HG3 H 7.017 2.369 -3.742 1.00 . A A . 16 PRO HG3 1 1
1 210 1 1 16 PRO N N 9.520 0.587 -2.677 1.00 . A A . 16 PRO N 1 1
1 211 1 1 16 PRO O O 12.200 3.082 -2.750 1.00 . A A . 16 PRO O 1 1
1 212 1 1 17 PHL C C 12.084 2.795 1.234 1.00 . A A . 17 PHL C 1 1
1 213 1 1 17 PHL CA C 11.585 3.523 -0.032 1.00 . A A . 17 PHL CA 1 1
1 214 1 1 17 PHL CB C 10.622 4.686 0.331 1.00 . A A . 17 PHL CB 1 1
1 215 1 1 17 PHL CD1 C 8.761 5.654 -1.119 1.00 . A A . 17 PHL CD1 1 1
1 216 1 1 17 PHL CD2 C 11.040 6.223 -1.679 1.00 . A A . 17 PHL CD2 1 1
1 217 1 1 17 PHL CE1 C 8.310 6.382 -2.216 1.00 . A A . 17 PHL CE1 1 1
1 218 1 1 17 PHL CE2 C 10.588 6.948 -2.778 1.00 . A A . 17 PHL CE2 1 1
1 219 1 1 17 PHL CG C 10.129 5.565 -0.842 1.00 . A A . 17 PHL CG 1 1
1 220 1 1 17 PHL CZ C 9.223 7.032 -3.042 1.00 . A A . 17 PHL CZ 1 1
1 221 1 1 17 PHL H2 H 10.006 2.120 -0.730 1.00 . A A . 17 PHL H2 1 1
1 222 1 1 17 PHL HA H 12.485 3.971 -0.500 1.00 . A A . 17 PHL HA 1 1
1 223 1 1 17 PHL HB2 H 9.764 4.247 0.873 1.00 . A A . 17 PHL HB2 1 1
1 224 1 1 17 PHL HB3 H 11.118 5.348 1.066 1.00 . A A . 17 PHL HB3 1 1
1 225 1 1 17 PHL HC1 H 11.251 2.314 1.773 1.00 . A A . 17 PHL HC1 1 1
1 226 1 1 17 PHL HC2 H 12.524 3.523 1.944 1.00 . A A . 17 PHL HC2 1 1
1 227 1 1 17 PHL HD1 H 8.045 5.141 -0.496 1.00 . A A . 17 PHL HD1 1 1
1 228 1 1 17 PHL HD2 H 12.103 6.140 -1.503 1.00 . A A . 17 PHL HD2 1 1
1 229 1 1 17 PHL HE1 H 7.253 6.435 -2.429 1.00 . A A . 17 PHL HE1 1 1
1 230 1 1 17 PHL HE2 H 11.295 7.438 -3.429 1.00 . A A . 17 PHL HE2 1 1
1 231 1 1 17 PHL HO H 13.390 1.489 1.761 1.00 . A A . 17 PHL HO 1 1
1 232 1 1 17 PHL HZ H 8.873 7.599 -3.892 1.00 . A A . 17 PHL HZ 1 1
1 233 1 1 17 PHL N N 10.896 2.589 -0.965 1.00 . A A . 17 PHL N 1 1
1 234 1 1 17 PHL O O 13.074 1.825 0.919 1.00 . A A . 17 PHL O 1 1
2 235 1 1 1 ACE C C -11.744 -1.423 -1.037 1.00 . A A . 1 ACE C 1 1
2 236 1 1 1 ACE CH3 C -12.941 -2.359 -1.219 1.00 . A A . 1 ACE CH3 1 1
2 237 1 1 1 ACE H1 H -13.910 -1.824 -1.236 1.00 . A A . 1 ACE H1 1 1
2 238 1 1 1 ACE H2 H -12.860 -2.919 -2.169 1.00 . A A . 1 ACE H2 1 1
2 239 1 1 1 ACE H3 H -12.985 -3.102 -0.402 1.00 . A A . 1 ACE H3 1 1
2 240 1 1 1 ACE O O -10.626 -1.764 -1.433 1.00 . A A . 1 ACE O 1 1
2 241 1 1 2 TRP C C -9.936 0.255 1.106 1.00 . A A . 2 TRP C 1 1
2 242 1 1 2 TRP CA C -10.891 0.696 -0.046 1.00 . A A . 2 TRP CA 1 1
2 243 1 1 2 TRP CB C -11.454 2.119 0.233 1.00 . A A . 2 TRP CB 1 1
2 244 1 1 2 TRP CD1 C -13.212 3.284 -1.332 1.00 . A A . 2 TRP CD1 1 1
2 245 1 1 2 TRP CD2 C -11.096 3.448 -2.010 1.00 . A A . 2 TRP CD2 1 1
2 246 1 1 2 TRP CE2 C -11.940 4.139 -2.916 1.00 . A A . 2 TRP CE2 1 1
2 247 1 1 2 TRP CE3 C -9.691 3.418 -2.218 1.00 . A A . 2 TRP CE3 1 1
2 248 1 1 2 TRP CG C -11.892 2.906 -1.011 1.00 . A A . 2 TRP CG 1 1
2 249 1 1 2 TRP CH2 C -10.003 4.766 -4.223 1.00 . A A . 2 TRP CH2 1 1
2 250 1 1 2 TRP CZ2 C -11.385 4.811 -4.032 1.00 . A A . 2 TRP CZ2 1 1
2 251 1 1 2 TRP CZ3 C -9.169 4.080 -3.331 1.00 . A A . 2 TRP CZ3 1 1
2 252 1 1 2 TRP H H -12.950 -0.134 -0.084 1.00 . A A . 2 TRP H 1 1
2 253 1 1 2 TRP HA H -10.242 0.788 -0.937 1.00 . A A . 2 TRP HA 1 1
2 254 1 1 2 TRP HB2 H -12.277 2.070 0.974 1.00 . A A . 2 TRP HB2 1 1
2 255 1 1 2 TRP HB3 H -10.684 2.739 0.732 1.00 . A A . 2 TRP HB3 1 1
2 256 1 1 2 TRP HD1 H -14.080 3.041 -0.736 1.00 . A A . 2 TRP HD1 1 1
2 257 1 1 2 TRP HE1 H -14.088 4.463 -2.962 1.00 . A A . 2 TRP HE1 1 1
2 258 1 1 2 TRP HE3 H -9.033 2.898 -1.536 1.00 . A A . 2 TRP HE3 1 1
2 259 1 1 2 TRP HH2 H -9.568 5.273 -5.073 1.00 . A A . 2 TRP HH2 1 1
2 260 1 1 2 TRP HZ2 H -12.014 5.355 -4.721 1.00 . A A . 2 TRP HZ2 1 1
2 261 1 1 2 TRP HZ3 H -8.103 4.066 -3.506 1.00 . A A . 2 TRP HZ3 1 1
2 262 1 1 2 TRP N N -11.983 -0.264 -0.401 1.00 . A A . 2 TRP N 1 1
2 263 1 1 2 TRP NE1 N -13.263 4.047 -2.514 1.00 . A A . 2 TRP NE1 1 1
2 264 1 1 2 TRP O O -8.796 0.729 1.124 1.00 . A A . 2 TRP O 1 1
2 265 1 1 3 ILE C C -8.486 -2.279 2.513 1.00 . A A . 3 ILE C 1 1
2 266 1 1 3 ILE CA C -9.441 -1.190 3.088 1.00 . A A . 3 ILE CA 1 1
2 267 1 1 3 ILE CB C -10.175 -1.628 4.416 1.00 . A A . 3 ILE CB 1 1
2 268 1 1 3 ILE CD1 C -12.608 -0.644 4.457 1.00 . A A . 3 ILE CD1 1 1
2 269 1 1 3 ILE CG1 C -11.180 -0.594 5.026 1.00 . A A . 3 ILE CG1 1 1
2 270 1 1 3 ILE CG2 C -9.164 -2.000 5.536 1.00 . A A . 3 ILE CG2 1 1
2 271 1 1 3 ILE H H -11.312 -0.959 1.925 1.00 . A A . 3 ILE H 1 1
2 272 1 1 3 ILE HA H -8.752 -0.365 3.345 1.00 . A A . 3 ILE HA 1 1
2 273 1 1 3 ILE HB H -10.740 -2.556 4.199 1.00 . A A . 3 ILE HB 1 1
2 274 1 1 3 ILE HD11 H -13.053 -1.651 4.563 1.00 . A A . 3 ILE HD11 1 1
2 275 1 1 3 ILE HD12 H -13.269 0.060 4.994 1.00 . A A . 3 ILE HD12 1 1
2 276 1 1 3 ILE HD13 H -12.649 -0.371 3.388 1.00 . A A . 3 ILE HD13 1 1
2 277 1 1 3 ILE HG12 H -11.295 -0.752 6.115 1.00 . A A . 3 ILE HG12 1 1
2 278 1 1 3 ILE HG13 H -10.776 0.431 4.938 1.00 . A A . 3 ILE HG13 1 1
2 279 1 1 3 ILE HG21 H -8.541 -1.137 5.835 1.00 . A A . 3 ILE HG21 1 1
2 280 1 1 3 ILE HG22 H -9.673 -2.371 6.446 1.00 . A A . 3 ILE HG22 1 1
2 281 1 1 3 ILE HG23 H -8.476 -2.808 5.226 1.00 . A A . 3 ILE HG23 1 1
2 282 1 1 3 ILE N N -10.346 -0.630 2.041 1.00 . A A . 3 ILE N 1 1
2 283 1 1 3 ILE O O -7.286 -2.184 2.780 1.00 . A A . 3 ILE O 1 1
2 284 1 1 4 GLN C C -7.073 -3.363 -0.063 1.00 . A A . 4 GLN C 1 1
2 285 1 1 4 GLN CA C -8.053 -4.111 0.887 1.00 . A A . 4 GLN CA 1 1
2 286 1 1 4 GLN CB C -8.817 -5.240 0.151 1.00 . A A . 4 GLN CB 1 1
2 287 1 1 4 GLN CD C -10.451 -6.096 -1.677 1.00 . A A . 4 GLN CD 1 1
2 288 1 1 4 GLN CG C -9.872 -4.880 -0.924 1.00 . A A . 4 GLN CG 1 1
2 289 1 1 4 GLN H H -9.962 -3.191 1.513 1.00 . A A . 4 GLN H 1 1
2 290 1 1 4 GLN HA H -7.398 -4.633 1.614 1.00 . A A . 4 GLN HA 1 1
2 291 1 1 4 GLN HB2 H -8.061 -5.905 -0.312 1.00 . A A . 4 GLN HB2 1 1
2 292 1 1 4 GLN HB3 H -9.300 -5.885 0.908 1.00 . A A . 4 GLN HB3 1 1
2 293 1 1 4 GLN HE21 H -12.096 -5.044 -2.132 1.00 . A A . 4 GLN HE21 1 1
2 294 1 1 4 GLN HE22 H -12.027 -6.786 -2.703 1.00 . A A . 4 GLN HE22 1 1
2 295 1 1 4 GLN HG2 H -10.686 -4.304 -0.443 1.00 . A A . 4 GLN HG2 1 1
2 296 1 1 4 GLN HG3 H -9.428 -4.199 -1.672 1.00 . A A . 4 GLN HG3 1 1
2 297 1 1 4 GLN N N -8.958 -3.251 1.706 1.00 . A A . 4 GLN N 1 1
2 298 1 1 4 GLN NE2 N -11.648 -5.962 -2.223 1.00 . A A . 4 GLN NE2 1 1
2 299 1 1 4 GLN O O -5.911 -3.763 -0.147 1.00 . A A . 4 GLN O 1 1
2 300 1 1 4 GLN OE1 O -9.834 -7.156 -1.804 1.00 . A A . 4 GLN OE1 1 1
2 301 1 1 5 . C C -5.516 -0.719 -0.871 1.00 . A A . 5 DIV C 1 1
2 302 1 1 5 . CA C -6.723 -1.415 -1.635 1.00 . A A . 5 DIV CA 1 1
2 303 1 1 5 . CB1 C -6.226 -2.280 -2.842 1.00 . A A . 5 DIV CB1 1 1
2 304 1 1 5 . CB2 C -7.667 -0.295 -2.165 1.00 . A A . 5 DIV CB2 1 1
2 305 1 1 5 . CG1 C -7.217 -2.827 -3.891 1.00 . A A . 5 DIV CG1 1 1
2 306 1 1 5 . H2 H -8.512 -2.078 -0.542 1.00 . A A . 5 DIV H2 1 1
2 307 1 1 5 . HB11 H -5.479 -1.678 -3.344 1.00 . A A . 5 DIV HB11 1 1
2 308 1 1 5 . HB12 H -5.637 -3.141 -2.484 1.00 . A A . 5 DIV HB12 1 1
2 309 1 1 5 . HB21 H -8.065 0.341 -1.355 1.00 . A A . 5 DIV HB21 1 1
2 310 1 1 5 . HB22 H -7.151 0.385 -2.868 1.00 . A A . 5 DIV HB22 1 1
2 311 1 1 5 . HB23 H -8.554 -0.686 -2.700 1.00 . A A . 5 DIV HB23 1 1
2 312 1 1 5 . HG11 H -7.755 -2.023 -4.426 1.00 . A A . 5 DIV HG11 1 1
2 313 1 1 5 . HG12 H -6.677 -3.415 -4.657 1.00 . A A . 5 DIV HG12 1 1
2 314 1 1 5 . HG13 H -7.971 -3.487 -3.431 1.00 . A A . 5 DIV HG13 1 1
2 315 1 1 5 . N N -7.536 -2.288 -0.742 1.00 . A A . 5 DIV N 1 1
2 316 1 1 5 . O O -4.350 -0.891 -1.243 1.00 . A A . 5 DIV O 1 1
2 317 1 1 6 ILE C C -3.828 -0.442 1.841 1.00 . A A . 6 ILE C 1 1
2 318 1 1 6 ILE CA C -4.736 0.621 1.119 1.00 . A A . 6 ILE CA 1 1
2 319 1 1 6 ILE CB C -5.396 1.679 2.087 1.00 . A A . 6 ILE CB 1 1
2 320 1 1 6 ILE CD1 C -5.324 3.759 0.435 1.00 . A A . 6 ILE CD1 1 1
2 321 1 1 6 ILE CG1 C -6.144 2.852 1.370 1.00 . A A . 6 ILE CG1 1 1
2 322 1 1 6 ILE CG2 C -4.442 2.288 3.148 1.00 . A A . 6 ILE CG2 1 1
2 323 1 1 6 ILE H H -6.784 0.102 0.455 1.00 . A A . 6 ILE H 1 1
2 324 1 1 6 ILE HA H -4.042 1.185 0.467 1.00 . A A . 6 ILE HA 1 1
2 325 1 1 6 ILE HB H -6.170 1.135 2.667 1.00 . A A . 6 ILE HB 1 1
2 326 1 1 6 ILE HD11 H -4.902 3.197 -0.418 1.00 . A A . 6 ILE HD11 1 1
2 327 1 1 6 ILE HD12 H -5.959 4.559 0.011 1.00 . A A . 6 ILE HD12 1 1
2 328 1 1 6 ILE HD13 H -4.488 4.255 0.961 1.00 . A A . 6 ILE HD13 1 1
2 329 1 1 6 ILE HG12 H -6.987 2.446 0.782 1.00 . A A . 6 ILE HG12 1 1
2 330 1 1 6 ILE HG13 H -6.637 3.490 2.131 1.00 . A A . 6 ILE HG13 1 1
2 331 1 1 6 ILE HG21 H -3.560 2.772 2.688 1.00 . A A . 6 ILE HG21 1 1
2 332 1 1 6 ILE HG22 H -4.946 3.052 3.772 1.00 . A A . 6 ILE HG22 1 1
2 333 1 1 6 ILE HG23 H -4.061 1.523 3.849 1.00 . A A . 6 ILE HG23 1 1
2 334 1 1 6 ILE N N -5.786 0.031 0.224 1.00 . A A . 6 ILE N 1 1
2 335 1 1 6 ILE O O -2.678 -0.125 2.141 1.00 . A A . 6 ILE O 1 1
2 336 1 1 7 THR C C -2.508 -3.392 1.530 1.00 . A A . 7 THR C 1 1
2 337 1 1 7 THR CA C -3.484 -2.807 2.589 1.00 . A A . 7 THR CA 1 1
2 338 1 1 7 THR CB C -4.393 -3.861 3.287 1.00 . A A . 7 THR CB 1 1
2 339 1 1 7 THR CG2 C -3.654 -5.061 3.909 1.00 . A A . 7 THR CG2 1 1
2 340 1 1 7 THR H H -5.265 -1.832 1.743 1.00 . A A . 7 THR H 1 1
2 341 1 1 7 THR HA H -2.839 -2.402 3.383 1.00 . A A . 7 THR HA 1 1
2 342 1 1 7 THR HB H -5.126 -4.253 2.557 1.00 . A A . 7 THR HB 1 1
2 343 1 1 7 THR HG1 H -5.346 -2.363 4.022 1.00 . A A . 7 THR HG1 1 1
2 344 1 1 7 THR HG21 H -4.353 -5.730 4.444 1.00 . A A . 7 THR HG21 1 1
2 345 1 1 7 THR HG22 H -3.147 -5.672 3.141 1.00 . A A . 7 THR HG22 1 1
2 346 1 1 7 THR HG23 H -2.888 -4.739 4.639 1.00 . A A . 7 THR HG23 1 1
2 347 1 1 7 THR N N -4.313 -1.679 2.085 1.00 . A A . 7 THR N 1 1
2 348 1 1 7 THR O O -1.343 -3.580 1.886 1.00 . A A . 7 THR O 1 1
2 349 1 1 7 THR OG1 O -5.107 -3.234 4.350 1.00 . A A . 7 THR OG1 1 1
2 350 1 1 8 ABA C C -0.848 -2.889 -1.119 1.00 . A A . 8 AIB C 1 1
2 351 1 1 8 ABA CA C -1.969 -3.981 -0.864 1.00 . A A . 8 AIB CA 1 1
2 352 1 1 8 ABA N N -2.913 -3.652 0.264 1.00 . A A . 8 AIB N 1 1
2 353 1 1 8 ABA O O 0.311 -3.205 -1.407 1.00 . A A . 8 AIB O 1 1
2 354 1 1 9 LEU C C 0.541 -0.124 0.199 1.00 . A A . 9 LEU C 1 1
2 355 1 1 9 LEU CA C -0.290 -0.442 -1.089 1.00 . A A . 9 LEU CA 1 1
2 356 1 1 9 LEU CB C -1.131 0.773 -1.576 1.00 . A A . 9 LEU CB 1 1
2 357 1 1 9 LEU CD1 C -2.854 1.526 -3.342 1.00 . A A . 9 LEU CD1 1 1
2 358 1 1 9 LEU CD2 C -0.436 1.196 -4.014 1.00 . A A . 9 LEU CD2 1 1
2 359 1 1 9 LEU CG C -1.566 0.723 -3.076 1.00 . A A . 9 LEU CG 1 1
2 360 1 1 9 LEU H H -2.198 -1.474 -0.716 1.00 . A A . 9 LEU H 1 1
2 361 1 1 9 LEU HA H 0.455 -0.639 -1.878 1.00 . A A . 9 LEU HA 1 1
2 362 1 1 9 LEU HB2 H -2.018 0.877 -0.919 1.00 . A A . 9 LEU HB2 1 1
2 363 1 1 9 LEU HB3 H -0.566 1.709 -1.404 1.00 . A A . 9 LEU HB3 1 1
2 364 1 1 9 LEU HD11 H -2.735 2.602 -3.121 1.00 . A A . 9 LEU HD11 1 1
2 365 1 1 9 LEU HD12 H -3.173 1.436 -4.399 1.00 . A A . 9 LEU HD12 1 1
2 366 1 1 9 LEU HD13 H -3.698 1.156 -2.731 1.00 . A A . 9 LEU HD13 1 1
2 367 1 1 9 LEU HD21 H 0.492 0.612 -3.869 1.00 . A A . 9 LEU HD21 1 1
2 368 1 1 9 LEU HD22 H -0.714 1.091 -5.079 1.00 . A A . 9 LEU HD22 1 1
2 369 1 1 9 LEU HD23 H -0.177 2.258 -3.843 1.00 . A A . 9 LEU HD23 1 1
2 370 1 1 9 LEU HG H -1.805 -0.323 -3.344 1.00 . A A . 9 LEU HG 1 1
2 371 1 1 9 LEU N N -1.221 -1.600 -1.000 1.00 . A A . 9 LEU N 1 1
2 372 1 1 9 LEU O O 1.511 0.634 0.080 1.00 . A A . 9 LEU O 1 1
2 373 1 1 10 ABA C C 2.496 -1.146 2.485 1.00 . A A . 10 AIB C 1 1
2 374 1 1 10 ABA CA C 1.020 -0.572 2.660 1.00 . A A . 10 AIB CA 1 1
2 375 1 1 10 ABA N N 0.214 -0.686 1.397 1.00 . A A . 10 AIB N 1 1
2 376 1 1 10 ABA O O 3.429 -0.371 2.725 1.00 . A A . 10 AIB O 1 1
2 377 1 1 11 HYP C C 4.753 -2.085 0.261 1.00 . A A . 11 HYP C 1 1
2 378 1 1 11 HYP CA C 4.181 -2.776 1.548 1.00 . A A . 11 HYP CA 1 1
2 379 1 1 11 HYP CB C 4.076 -4.308 1.406 1.00 . A A . 11 HYP CB 1 1
2 380 1 1 11 HYP CD C 1.856 -3.510 1.850 1.00 . A A . 11 HYP CD 1 1
2 381 1 1 11 HYP CG C 2.612 -4.578 1.062 1.00 . A A . 11 HYP CG 1 1
2 382 1 1 11 HYP HA H 4.894 -2.573 2.370 1.00 . A A . 11 HYP HA 1 1
2 383 1 1 11 HYP HB2 H 4.771 -4.735 0.656 1.00 . A A . 11 HYP HB2 1 1
2 384 1 1 11 HYP HB3 H 4.331 -4.795 2.371 1.00 . A A . 11 HYP HB3 1 1
2 385 1 1 11 HYP HD1 H 1.412 -5.786 1.957 1.00 . A A . 11 HYP HD1 1 1
2 386 1 1 11 HYP HD22 H 0.952 -3.217 1.298 1.00 . A A . 11 HYP HD22 1 1
2 387 1 1 11 HYP HD23 H 1.564 -3.889 2.849 1.00 . A A . 11 HYP HD23 1 1
2 388 1 1 11 HYP HG H 2.450 -4.443 -0.025 1.00 . A A . 11 HYP HG 1 1
2 389 1 1 11 HYP N N 2.812 -2.399 2.004 1.00 . A A . 11 HYP N 1 1
2 390 1 1 11 HYP O O 5.943 -2.267 -0.005 1.00 . A A . 11 HYP O 1 1
2 391 1 1 11 HYP OD1 O 2.221 -5.889 1.450 1.00 . A A . 11 HYP OD1 1 1
2 392 1 1 12 GLN C C 4.808 1.119 -1.054 1.00 . A A . 12 GLN C 1 1
2 393 1 1 12 GLN CA C 4.518 -0.344 -1.521 1.00 . A A . 12 GLN CA 1 1
2 394 1 1 12 GLN CB C 3.585 -0.341 -2.767 1.00 . A A . 12 GLN CB 1 1
2 395 1 1 12 GLN CD C 2.569 -1.627 -4.748 1.00 . A A . 12 GLN CD 1 1
2 396 1 1 12 GLN CG C 3.251 -1.721 -3.369 1.00 . A A . 12 GLN CG 1 1
2 397 1 1 12 GLN H H 3.033 -1.079 -0.128 1.00 . A A . 12 GLN H 1 1
2 398 1 1 12 GLN HA H 5.503 -0.725 -1.835 1.00 . A A . 12 GLN HA 1 1
2 399 1 1 12 GLN HB2 H 2.642 0.189 -2.530 1.00 . A A . 12 GLN HB2 1 1
2 400 1 1 12 GLN HB3 H 4.066 0.277 -3.552 1.00 . A A . 12 GLN HB3 1 1
2 401 1 1 12 GLN HE21 H 0.960 -2.627 -4.071 1.00 . A A . 12 GLN HE21 1 1
2 402 1 1 12 GLN HE22 H 0.962 -2.109 -5.833 1.00 . A A . 12 GLN HE22 1 1
2 403 1 1 12 GLN HG2 H 4.181 -2.314 -3.461 1.00 . A A . 12 GLN HG2 1 1
2 404 1 1 12 GLN HG3 H 2.628 -2.259 -2.628 1.00 . A A . 12 GLN HG3 1 1
2 405 1 1 12 GLN N N 3.978 -1.253 -0.477 1.00 . A A . 12 GLN N 1 1
2 406 1 1 12 GLN NE2 N 1.361 -2.156 -4.889 1.00 . A A . 12 GLN NE2 1 1
2 407 1 1 12 GLN O O 5.066 1.958 -1.918 1.00 . A A . 12 GLN O 1 1
2 408 1 1 12 GLN OE1 O 3.121 -1.096 -5.710 1.00 . A A . 12 GLN OE1 1 1
2 409 1 1 13 ABA C C 7.155 1.977 1.079 1.00 . A A . 13 AIB C 1 1
2 410 1 1 13 ABA CA C 5.650 2.502 0.907 1.00 . A A . 13 AIB CA 1 1
2 411 1 1 13 ABA N N 4.831 1.423 0.268 1.00 . A A . 13 AIB N 1 1
2 412 1 1 13 ABA O O 8.059 2.547 0.442 1.00 . A A . 13 AIB O 1 1
2 413 1 1 14 HYP C C 9.576 -0.230 0.669 1.00 . A A . 14 HYP C 1 1
2 414 1 1 14 HYP CA C 8.911 0.378 1.943 1.00 . A A . 14 HYP CA 1 1
2 415 1 1 14 HYP CB C 8.875 -0.637 3.105 1.00 . A A . 14 HYP CB 1 1
2 416 1 1 14 HYP CD C 6.589 0.042 2.601 1.00 . A A . 14 HYP CD 1 1
2 417 1 1 14 HYP CG C 7.413 -0.988 3.373 1.00 . A A . 14 HYP CG 1 1
2 418 1 1 14 HYP HA H 9.545 1.228 2.273 1.00 . A A . 14 HYP HA 1 1
2 419 1 1 14 HYP HB2 H 9.457 -1.552 2.883 1.00 . A A . 14 HYP HB2 1 1
2 420 1 1 14 HYP HB3 H 9.341 -0.186 4.004 1.00 . A A . 14 HYP HB3 1 1
2 421 1 1 14 HYP HD1 H 7.380 -0.029 5.037 1.00 . A A . 14 HYP HD1 1 1
2 422 1 1 14 HYP HD22 H 5.896 -0.461 1.922 1.00 . A A . 14 HYP HD22 1 1
2 423 1 1 14 HYP HD23 H 5.975 0.633 3.282 1.00 . A A . 14 HYP HD23 1 1
2 424 1 1 14 HYP HG H 7.187 -2.007 3.010 1.00 . A A . 14 HYP HG 1 1
2 425 1 1 14 HYP N N 7.519 0.882 1.835 1.00 . A A . 14 HYP N 1 1
2 426 1 1 14 HYP O O 10.781 -0.014 0.512 1.00 . A A . 14 HYP O 1 1
2 427 1 1 14 HYP OD1 O 7.128 -0.916 4.766 1.00 . A A . 14 HYP OD1 1 1
2 428 1 1 15 ABA C C 10.052 -0.540 -2.453 1.00 . A A . 15 AIB C 1 1
2 429 1 1 15 ABA CA C 9.436 -1.608 -1.448 1.00 . A A . 15 AIB CA 1 1
2 430 1 1 15 ABA N N 8.863 -1.001 -0.200 1.00 . A A . 15 AIB N 1 1
2 431 1 1 15 ABA O O 11.183 -0.760 -2.904 1.00 . A A . 15 AIB O 1 1
2 432 1 1 16 PRO C C 11.176 2.534 -2.427 1.00 . A A . 16 PRO C 1 1
2 433 1 1 16 PRO CA C 10.197 1.785 -3.373 1.00 . A A . 16 PRO CA 1 1
2 434 1 1 16 PRO CB C 9.098 2.689 -3.959 1.00 . A A . 16 PRO CB 1 1
2 435 1 1 16 PRO CD C 8.044 0.996 -2.525 1.00 . A A . 16 PRO CD 1 1
2 436 1 1 16 PRO CG C 7.842 2.385 -3.147 1.00 . A A . 16 PRO CG 1 1
2 437 1 1 16 PRO HA H 10.815 1.412 -4.190 1.00 . A A . 16 PRO HA 1 1
2 438 1 1 16 PRO HB2 H 9.352 3.767 -3.932 1.00 . A A . 16 PRO HB2 1 1
2 439 1 1 16 PRO HB3 H 8.924 2.442 -5.023 1.00 . A A . 16 PRO HB3 1 1
2 440 1 1 16 PRO HD2 H 7.853 1.043 -1.448 1.00 . A A . 16 PRO HD2 1 1
2 441 1 1 16 PRO HD3 H 7.343 0.237 -2.912 1.00 . A A . 16 PRO HD3 1 1
2 442 1 1 16 PRO HG2 H 7.733 3.138 -2.347 1.00 . A A . 16 PRO HG2 1 1
2 443 1 1 16 PRO HG3 H 6.932 2.447 -3.768 1.00 . A A . 16 PRO HG3 1 1
2 444 1 1 16 PRO N N 9.446 0.641 -2.804 1.00 . A A . 16 PRO N 1 1
2 445 1 1 16 PRO O O 12.175 3.067 -2.927 1.00 . A A . 16 PRO O 1 1
2 446 1 1 17 PHL C C 12.166 2.794 1.018 1.00 . A A . 17 PHL C 1 1
2 447 1 1 17 PHL CA C 11.605 3.549 -0.201 1.00 . A A . 17 PHL CA 1 1
2 448 1 1 17 PHL CB C 10.654 4.710 0.203 1.00 . A A . 17 PHL CB 1 1
2 449 1 1 17 PHL CD1 C 11.004 6.221 -1.836 1.00 . A A . 17 PHL CD1 1 1
2 450 1 1 17 PHL CD2 C 8.741 5.730 -1.146 1.00 . A A . 17 PHL CD2 1 1
2 451 1 1 17 PHL CE1 C 10.515 6.945 -2.920 1.00 . A A . 17 PHL CE1 1 1
2 452 1 1 17 PHL CE2 C 8.254 6.461 -2.226 1.00 . A A . 17 PHL CE2 1 1
2 453 1 1 17 PHL CG C 10.122 5.598 -0.943 1.00 . A A . 17 PHL CG 1 1
2 454 1 1 17 PHL CZ C 9.141 7.067 -3.111 1.00 . A A . 17 PHL CZ 1 1
2 455 1 1 17 PHL H2 H 9.994 2.163 -0.861 1.00 . A A . 17 PHL H2 1 1
2 456 1 1 17 PHL HA H 12.483 4.000 -0.702 1.00 . A A . 17 PHL HA 1 1
2 457 1 1 17 PHL HB2 H 9.814 4.271 0.775 1.00 . A A . 17 PHL HB2 1 1
2 458 1 1 17 PHL HB3 H 11.175 5.370 0.924 1.00 . A A . 17 PHL HB3 1 1
2 459 1 1 17 PHL HC1 H 12.805 1.951 0.697 1.00 . A A . 17 PHL HC1 1 1
2 460 1 1 17 PHL HC2 H 11.355 2.346 1.617 1.00 . A A . 17 PHL HC2 1 1
2 461 1 1 17 PHL HD1 H 12.071 6.105 -1.712 1.00 . A A . 17 PHL HD1 1 1
2 462 1 1 17 PHL HD2 H 8.045 5.245 -0.476 1.00 . A A . 17 PHL HD2 1 1
2 463 1 1 17 PHL HE1 H 11.202 7.399 -3.616 1.00 . A A . 17 PHL HE1 1 1
2 464 1 1 17 PHL HE2 H 7.190 6.546 -2.378 1.00 . A A . 17 PHL HE2 1 1
2 465 1 1 17 PHL HO H 13.627 3.113 2.229 1.00 . A A . 17 PHL HO 1 1
2 466 1 1 17 PHL HZ H 8.763 7.627 -3.952 1.00 . A A . 17 PHL HZ 1 1
2 467 1 1 17 PHL N N 10.887 2.619 -1.114 1.00 . A A . 17 PHL N 1 1
2 468 1 1 17 PHL O O 12.939 3.656 1.840 1.00 . A A . 17 PHL O 1 1
3 469 1 1 1 ACE C C -11.573 -1.351 -1.288 1.00 . A A . 1 ACE C 1 1
3 470 1 1 1 ACE CH3 C -12.720 -2.262 -1.727 1.00 . A A . 1 ACE CH3 1 1
3 471 1 1 1 ACE H1 H -13.576 -1.686 -2.124 1.00 . A A . 1 ACE H1 1 1
3 472 1 1 1 ACE H2 H -12.393 -2.955 -2.524 1.00 . A A . 1 ACE H2 1 1
3 473 1 1 1 ACE H3 H -13.087 -2.880 -0.886 1.00 . A A . 1 ACE H3 1 1
3 474 1 1 1 ACE O O -10.414 -1.594 -1.635 1.00 . A A . 1 ACE O 1 1
3 475 1 1 2 TRP C C -9.962 0.218 1.096 1.00 . A A . 2 TRP C 1 1
3 476 1 1 2 TRP CA C -10.924 0.703 -0.034 1.00 . A A . 2 TRP CA 1 1
3 477 1 1 2 TRP CB C -11.621 2.028 0.386 1.00 . A A . 2 TRP CB 1 1
3 478 1 1 2 TRP CD1 C -13.641 2.657 -1.170 1.00 . A A . 2 TRP CD1 1 1
3 479 1 1 2 TRP CD2 C -11.771 3.804 -1.558 1.00 . A A . 2 TRP CD2 1 1
3 480 1 1 2 TRP CE2 C -12.791 4.238 -2.444 1.00 . A A . 2 TRP CE2 1 1
3 481 1 1 2 TRP CE3 C -10.484 4.401 -1.599 1.00 . A A . 2 TRP CE3 1 1
3 482 1 1 2 TRP CG C -12.301 2.809 -0.752 1.00 . A A . 2 TRP CG 1 1
3 483 1 1 2 TRP CH2 C -11.262 5.854 -3.394 1.00 . A A . 2 TRP CH2 1 1
3 484 1 1 2 TRP CZ2 C -12.533 5.278 -3.370 1.00 . A A . 2 TRP CZ2 1 1
3 485 1 1 2 TRP CZ3 C -10.253 5.423 -2.522 1.00 . A A . 2 TRP CZ3 1 1
3 486 1 1 2 TRP H H -12.913 -0.252 -0.283 1.00 . A A . 2 TRP H 1 1
3 487 1 1 2 TRP HA H -10.272 0.959 -0.893 1.00 . A A . 2 TRP HA 1 1
3 488 1 1 2 TRP HB2 H -12.349 1.837 1.198 1.00 . A A . 2 TRP HB2 1 1
3 489 1 1 2 TRP HB3 H -10.875 2.703 0.849 1.00 . A A . 2 TRP HB3 1 1
3 490 1 1 2 TRP HD1 H -14.340 1.954 -0.739 1.00 . A A . 2 TRP HD1 1 1
3 491 1 1 2 TRP HE1 H -14.858 3.626 -2.716 1.00 . A A . 2 TRP HE1 1 1
3 492 1 1 2 TRP HE3 H -9.697 4.084 -0.929 1.00 . A A . 2 TRP HE3 1 1
3 493 1 1 2 TRP HH2 H -11.054 6.651 -4.093 1.00 . A A . 2 TRP HH2 1 1
3 494 1 1 2 TRP HZ2 H -13.304 5.629 -4.041 1.00 . A A . 2 TRP HZ2 1 1
3 495 1 1 2 TRP HZ3 H -9.282 5.894 -2.563 1.00 . A A . 2 TRP HZ3 1 1
3 496 1 1 2 TRP N N -11.914 -0.312 -0.511 1.00 . A A . 2 TRP N 1 1
3 497 1 1 2 TRP NE1 N -13.962 3.530 -2.225 1.00 . A A . 2 TRP NE1 1 1
3 498 1 1 2 TRP O O -8.805 0.644 1.091 1.00 . A A . 2 TRP O 1 1
3 499 1 1 3 ILE C C -8.527 -2.302 2.536 1.00 . A A . 3 ILE C 1 1
3 500 1 1 3 ILE CA C -9.496 -1.215 3.095 1.00 . A A . 3 ILE CA 1 1
3 501 1 1 3 ILE CB C -10.240 -1.638 4.421 1.00 . A A . 3 ILE CB 1 1
3 502 1 1 3 ILE CD1 C -12.700 -0.787 4.559 1.00 . A A . 3 ILE CD1 1 1
3 503 1 1 3 ILE CG1 C -11.240 -0.579 4.993 1.00 . A A . 3 ILE CG1 1 1
3 504 1 1 3 ILE CG2 C -9.247 -2.010 5.555 1.00 . A A . 3 ILE CG2 1 1
3 505 1 1 3 ILE H H -11.377 -0.938 1.955 1.00 . A A . 3 ILE H 1 1
3 506 1 1 3 ILE HA H -8.820 -0.387 3.361 1.00 . A A . 3 ILE HA 1 1
3 507 1 1 3 ILE HB H -10.803 -2.567 4.205 1.00 . A A . 3 ILE HB 1 1
3 508 1 1 3 ILE HD11 H -13.091 -1.756 4.923 1.00 . A A . 3 ILE HD11 1 1
3 509 1 1 3 ILE HD12 H -13.354 0.001 4.974 1.00 . A A . 3 ILE HD12 1 1
3 510 1 1 3 ILE HD13 H -12.819 -0.770 3.461 1.00 . A A . 3 ILE HD13 1 1
3 511 1 1 3 ILE HG12 H -11.250 -0.578 6.100 1.00 . A A . 3 ILE HG12 1 1
3 512 1 1 3 ILE HG13 H -10.913 0.443 4.726 1.00 . A A . 3 ILE HG13 1 1
3 513 1 1 3 ILE HG21 H -8.608 -1.155 5.843 1.00 . A A . 3 ILE HG21 1 1
3 514 1 1 3 ILE HG22 H -9.778 -2.347 6.466 1.00 . A A . 3 ILE HG22 1 1
3 515 1 1 3 ILE HG23 H -8.577 -2.840 5.268 1.00 . A A . 3 ILE HG23 1 1
3 516 1 1 3 ILE N N -10.397 -0.648 2.043 1.00 . A A . 3 ILE N 1 1
3 517 1 1 3 ILE O O -7.333 -2.215 2.835 1.00 . A A . 3 ILE O 1 1
3 518 1 1 4 GLN C C -7.052 -3.390 -0.006 1.00 . A A . 4 GLN C 1 1
3 519 1 1 4 GLN CA C -8.085 -4.129 0.896 1.00 . A A . 4 GLN CA 1 1
3 520 1 1 4 GLN CB C -8.872 -5.210 0.110 1.00 . A A . 4 GLN CB 1 1
3 521 1 1 4 GLN CD C -10.532 -5.949 -1.715 1.00 . A A . 4 GLN CD 1 1
3 522 1 1 4 GLN CG C -9.915 -4.766 -0.949 1.00 . A A . 4 GLN CG 1 1
3 523 1 1 4 GLN H H -9.991 -3.184 1.483 1.00 . A A . 4 GLN H 1 1
3 524 1 1 4 GLN HA H -7.465 -4.696 1.621 1.00 . A A . 4 GLN HA 1 1
3 525 1 1 4 GLN HB2 H -8.141 -5.884 -0.381 1.00 . A A . 4 GLN HB2 1 1
3 526 1 1 4 GLN HB3 H -9.383 -5.865 0.841 1.00 . A A . 4 GLN HB3 1 1
3 527 1 1 4 GLN HE21 H -12.251 -5.769 -0.697 1.00 . A A . 4 GLN HE21 1 1
3 528 1 1 4 GLN HE22 H -12.131 -7.144 -1.907 1.00 . A A . 4 GLN HE22 1 1
3 529 1 1 4 GLN HG2 H -10.702 -4.154 -0.465 1.00 . A A . 4 GLN HG2 1 1
3 530 1 1 4 GLN HG3 H -9.443 -4.096 -1.687 1.00 . A A . 4 GLN HG3 1 1
3 531 1 1 4 GLN N N -8.993 -3.264 1.707 1.00 . A A . 4 GLN N 1 1
3 532 1 1 4 GLN NE2 N -11.763 -6.328 -1.404 1.00 . A A . 4 GLN NE2 1 1
3 533 1 1 4 GLN O O -5.896 -3.812 -0.042 1.00 . A A . 4 GLN O 1 1
3 534 1 1 4 GLN OE1 O -9.901 -6.538 -2.594 1.00 . A A . 4 GLN OE1 1 1
3 535 1 1 5 . C C -5.413 -0.775 -0.720 1.00 . A A . 5 DIV C 1 1
3 536 1 1 5 . CA C -6.593 -1.437 -1.547 1.00 . A A . 5 DIV CA 1 1
3 537 1 1 5 . CB1 C -6.064 -2.306 -2.735 1.00 . A A . 5 DIV CB1 1 1
3 538 1 1 5 . CB2 C -7.470 -0.281 -2.116 1.00 . A A . 5 DIV CB2 1 1
3 539 1 1 5 . CG1 C -7.029 -2.840 -3.817 1.00 . A A . 5 DIV CG1 1 1
3 540 1 1 5 . H2 H -8.437 -2.058 -0.531 1.00 . A A . 5 DIV H2 1 1
3 541 1 1 5 . HB11 H -5.291 -1.713 -3.214 1.00 . A A . 5 DIV HB11 1 1
3 542 1 1 5 . HB12 H -5.501 -3.176 -2.355 1.00 . A A . 5 DIV HB12 1 1
3 543 1 1 5 . HB21 H -7.940 0.327 -1.323 1.00 . A A . 5 DIV HB21 1 1
3 544 1 1 5 . HB22 H -6.879 0.419 -2.738 1.00 . A A . 5 DIV HB22 1 1
3 545 1 1 5 . HB23 H -8.301 -0.635 -2.752 1.00 . A A . 5 DIV HB23 1 1
3 546 1 1 5 . HG11 H -7.508 -2.027 -4.390 1.00 . A A . 5 DIV HG11 1 1
3 547 1 1 5 . HG12 H -6.480 -3.464 -4.544 1.00 . A A . 5 DIV HG12 1 1
3 548 1 1 5 . HG13 H -7.831 -3.465 -3.381 1.00 . A A . 5 DIV HG13 1 1
3 549 1 1 5 . N N -7.464 -2.299 -0.694 1.00 . A A . 5 DIV N 1 1
3 550 1 1 5 . O O -4.240 -0.953 -1.058 1.00 . A A . 5 DIV O 1 1
3 551 1 1 6 ILE C C -3.793 -0.601 2.028 1.00 . A A . 6 ILE C 1 1
3 552 1 1 6 ILE CA C -4.678 0.499 1.330 1.00 . A A . 6 ILE CA 1 1
3 553 1 1 6 ILE CB C -5.348 1.525 2.323 1.00 . A A . 6 ILE CB 1 1
3 554 1 1 6 ILE CD1 C -5.247 3.683 0.781 1.00 . A A . 6 ILE CD1 1 1
3 555 1 1 6 ILE CG1 C -6.087 2.725 1.644 1.00 . A A . 6 ILE CG1 1 1
3 556 1 1 6 ILE CG2 C -4.412 2.090 3.425 1.00 . A A . 6 ILE CG2 1 1
3 557 1 1 6 ILE H H -6.712 0.021 0.590 1.00 . A A . 6 ILE H 1 1
3 558 1 1 6 ILE HA H -3.968 1.083 0.714 1.00 . A A . 6 ILE HA 1 1
3 559 1 1 6 ILE HB H -6.127 0.961 2.873 1.00 . A A . 6 ILE HB 1 1
3 560 1 1 6 ILE HD11 H -4.775 3.165 -0.073 1.00 . A A . 6 ILE HD11 1 1
3 561 1 1 6 ILE HD12 H -5.876 4.489 0.364 1.00 . A A . 6 ILE HD12 1 1
3 562 1 1 6 ILE HD13 H -4.443 4.170 1.364 1.00 . A A . 6 ILE HD13 1 1
3 563 1 1 6 ILE HG12 H -6.910 2.342 1.015 1.00 . A A . 6 ILE HG12 1 1
3 564 1 1 6 ILE HG13 H -6.605 3.320 2.420 1.00 . A A . 6 ILE HG13 1 1
3 565 1 1 6 ILE HG21 H -3.521 2.589 3.001 1.00 . A A . 6 ILE HG21 1 1
3 566 1 1 6 ILE HG22 H -4.927 2.829 4.068 1.00 . A A . 6 ILE HG22 1 1
3 567 1 1 6 ILE HG23 H -4.050 1.295 4.103 1.00 . A A . 6 ILE HG23 1 1
3 568 1 1 6 ILE N N -5.709 -0.049 0.387 1.00 . A A . 6 ILE N 1 1
3 569 1 1 6 ILE O O -2.642 -0.306 2.360 1.00 . A A . 6 ILE O 1 1
3 570 1 1 7 THR C C -2.471 -3.545 1.640 1.00 . A A . 7 THR C 1 1
3 571 1 1 7 THR CA C -3.480 -2.998 2.696 1.00 . A A . 7 THR CA 1 1
3 572 1 1 7 THR CB C -4.407 -4.075 3.333 1.00 . A A . 7 THR CB 1 1
3 573 1 1 7 THR CG2 C -3.685 -5.286 3.954 1.00 . A A . 7 THR CG2 1 1
3 574 1 1 7 THR H H -5.266 -1.963 1.916 1.00 . A A . 7 THR H 1 1
3 575 1 1 7 THR HA H -2.853 -2.626 3.518 1.00 . A A . 7 THR HA 1 1
3 576 1 1 7 THR HB H -5.108 -4.451 2.566 1.00 . A A . 7 THR HB 1 1
3 577 1 1 7 THR HG1 H -5.250 -2.553 4.146 1.00 . A A . 7 THR HG1 1 1
3 578 1 1 7 THR HG21 H -4.405 -5.962 4.452 1.00 . A A . 7 THR HG21 1 1
3 579 1 1 7 THR HG22 H -3.155 -5.887 3.192 1.00 . A A . 7 THR HG22 1 1
3 580 1 1 7 THR HG23 H -2.940 -4.981 4.711 1.00 . A A . 7 THR HG23 1 1
3 581 1 1 7 THR N N -4.292 -1.843 2.219 1.00 . A A . 7 THR N 1 1
3 582 1 1 7 THR O O -1.304 -3.690 1.998 1.00 . A A . 7 THR O 1 1
3 583 1 1 7 THR OG1 O -5.166 -3.480 4.384 1.00 . A A . 7 THR OG1 1 1
3 584 1 1 8 ABA C C -0.816 -2.986 -0.998 1.00 . A A . 8 AIB C 1 1
3 585 1 1 8 ABA CA C -1.906 -4.110 -0.756 1.00 . A A . 8 AIB CA 1 1
3 586 1 1 8 ABA N N -2.869 -3.817 0.372 1.00 . A A . 8 AIB N 1 1
3 587 1 1 8 ABA O O 0.356 -3.268 -1.279 1.00 . A A . 8 AIB O 1 1
3 588 1 1 9 LEU C C 0.528 -0.211 0.310 1.00 . A A . 9 LEU C 1 1
3 589 1 1 9 LEU CA C -0.328 -0.526 -0.963 1.00 . A A . 9 LEU CA 1 1
3 590 1 1 9 LEU CB C -1.203 0.683 -1.407 1.00 . A A . 9 LEU CB 1 1
3 591 1 1 9 LEU CD1 C -2.932 1.533 -3.124 1.00 . A A . 9 LEU CD1 1 1
3 592 1 1 9 LEU CD2 C -0.562 1.079 -3.862 1.00 . A A . 9 LEU CD2 1 1
3 593 1 1 9 LEU CG C -1.685 0.656 -2.892 1.00 . A A . 9 LEU CG 1 1
3 594 1 1 9 LEU H H -2.205 -1.606 -0.592 1.00 . A A . 9 LEU H 1 1
3 595 1 1 9 LEU HA H 0.403 -0.695 -1.773 1.00 . A A . 9 LEU HA 1 1
3 596 1 1 9 LEU HB2 H -2.071 0.756 -0.725 1.00 . A A . 9 LEU HB2 1 1
3 597 1 1 9 LEU HB3 H -0.650 1.623 -1.235 1.00 . A A . 9 LEU HB3 1 1
3 598 1 1 9 LEU HD11 H -2.734 2.602 -2.923 1.00 . A A . 9 LEU HD11 1 1
3 599 1 1 9 LEU HD12 H -3.293 1.451 -4.168 1.00 . A A . 9 LEU HD12 1 1
3 600 1 1 9 LEU HD13 H -3.777 1.227 -2.478 1.00 . A A . 9 LEU HD13 1 1
3 601 1 1 9 LEU HD21 H 0.342 0.453 -3.749 1.00 . A A . 9 LEU HD21 1 1
3 602 1 1 9 LEU HD22 H -0.877 0.993 -4.920 1.00 . A A . 9 LEU HD22 1 1
3 603 1 1 9 LEU HD23 H -0.249 2.127 -3.695 1.00 . A A . 9 LEU HD23 1 1
3 604 1 1 9 LEU HG H -1.983 -0.373 -3.154 1.00 . A A . 9 LEU HG 1 1
3 605 1 1 9 LEU N N -1.224 -1.708 -0.877 1.00 . A A . 9 LEU N 1 1
3 606 1 1 9 LEU O O 1.486 0.553 0.177 1.00 . A A . 9 LEU O 1 1
3 607 1 1 10 ABA C C 2.553 -1.222 2.531 1.00 . A A . 10 AIB C 1 1
3 608 1 1 10 ABA CA C 1.074 -0.677 2.753 1.00 . A A . 10 AIB CA 1 1
3 609 1 1 10 ABA N N 0.234 -0.788 1.510 1.00 . A A . 10 AIB N 1 1
3 610 1 1 10 ABA O O 3.477 -0.434 2.756 1.00 . A A . 10 AIB O 1 1
3 611 1 1 11 HYP C C 4.761 -2.104 0.242 1.00 . A A . 11 HYP C 1 1
3 612 1 1 11 HYP CA C 4.234 -2.818 1.532 1.00 . A A . 11 HYP CA 1 1
3 613 1 1 11 HYP CB C 4.152 -4.348 1.368 1.00 . A A . 11 HYP CB 1 1
3 614 1 1 11 HYP CD C 1.938 -3.596 1.929 1.00 . A A . 11 HYP CD 1 1
3 615 1 1 11 HYP CG C 2.677 -4.649 1.104 1.00 . A A . 11 HYP CG 1 1
3 616 1 1 11 HYP HA H 4.966 -2.613 2.335 1.00 . A A . 11 HYP HA 1 1
3 617 1 1 11 HYP HB2 H 4.808 -4.748 0.572 1.00 . A A . 11 HYP HB2 1 1
3 618 1 1 11 HYP HB3 H 4.473 -4.846 2.305 1.00 . A A . 11 HYP HB3 1 1
3 619 1 1 11 HYP HD1 H 1.400 -5.931 1.762 1.00 . A A . 11 HYP HD1 1 1
3 620 1 1 11 HYP HD22 H 1.000 -3.324 1.429 1.00 . A A . 11 HYP HD22 1 1
3 621 1 1 11 HYP HD23 H 1.707 -3.980 2.943 1.00 . A A . 11 HYP HD23 1 1
3 622 1 1 11 HYP HG H 2.452 -4.525 0.027 1.00 . A A . 11 HYP HG 1 1
3 623 1 1 11 HYP N N 2.873 -2.465 2.032 1.00 . A A . 11 HYP N 1 1
3 624 1 1 11 HYP O O 5.952 -2.267 -0.056 1.00 . A A . 11 HYP O 1 1
3 625 1 1 11 HYP OD1 O 2.330 -5.962 1.525 1.00 . A A . 11 HYP OD1 1 1
3 626 1 1 12 GLN C C 4.733 1.123 -1.037 1.00 . A A . 12 GLN C 1 1
3 627 1 1 12 GLN CA C 4.466 -0.342 -1.511 1.00 . A A . 12 GLN CA 1 1
3 628 1 1 12 GLN CB C 3.513 -0.347 -2.739 1.00 . A A . 12 GLN CB 1 1
3 629 1 1 12 GLN CD C 2.472 -1.636 -4.701 1.00 . A A . 12 GLN CD 1 1
3 630 1 1 12 GLN CG C 3.204 -1.727 -3.352 1.00 . A A . 12 GLN CG 1 1
3 631 1 1 12 GLN H H 3.022 -1.112 -0.095 1.00 . A A . 12 GLN H 1 1
3 632 1 1 12 GLN HA H 5.453 -0.699 -1.843 1.00 . A A . 12 GLN HA 1 1
3 633 1 1 12 GLN HB2 H 2.562 0.157 -2.482 1.00 . A A . 12 GLN HB2 1 1
3 634 1 1 12 GLN HB3 H 3.967 0.289 -3.519 1.00 . A A . 12 GLN HB3 1 1
3 635 1 1 12 GLN HE21 H 0.906 -2.671 -3.981 1.00 . A A . 12 GLN HE21 1 1
3 636 1 1 12 GLN HE22 H 0.856 -2.148 -5.747 1.00 . A A . 12 GLN HE22 1 1
3 637 1 1 12 GLN HG2 H 4.146 -2.291 -3.475 1.00 . A A . 12 GLN HG2 1 1
3 638 1 1 12 GLN HG3 H 2.614 -2.295 -2.596 1.00 . A A . 12 GLN HG3 1 1
3 639 1 1 12 GLN N N 3.961 -1.272 -0.464 1.00 . A A . 12 GLN N 1 1
3 640 1 1 12 GLN NE2 N 1.280 -2.195 -4.814 1.00 . A A . 12 GLN NE2 1 1
3 641 1 1 12 GLN O O 4.935 1.980 -1.897 1.00 . A A . 12 GLN O 1 1
3 642 1 1 12 GLN OE1 O 2.977 -1.075 -5.678 1.00 . A A . 12 GLN OE1 1 1
3 643 1 1 13 ABA C C 7.126 1.986 1.057 1.00 . A A . 13 AIB C 1 1
3 644 1 1 13 ABA CA C 5.613 2.497 0.916 1.00 . A A . 13 AIB CA 1 1
3 645 1 1 13 ABA N N 4.799 1.407 0.288 1.00 . A A . 13 AIB N 1 1
3 646 1 1 13 ABA O O 8.013 2.568 0.413 1.00 . A A . 13 AIB O 1 1
3 647 1 1 14 HYP C C 9.567 -0.188 0.595 1.00 . A A . 14 HYP C 1 1
3 648 1 1 14 HYP CA C 8.912 0.405 1.881 1.00 . A A . 14 HYP CA 1 1
3 649 1 1 14 HYP CB C 8.904 -0.622 3.034 1.00 . A A . 14 HYP CB 1 1
3 650 1 1 14 HYP CD C 6.601 0.034 2.572 1.00 . A A . 14 HYP CD 1 1
3 651 1 1 14 HYP CG C 7.448 -1.004 3.305 1.00 . A A . 14 HYP CG 1 1
3 652 1 1 14 HYP HA H 9.545 1.256 2.207 1.00 . A A . 14 HYP HA 1 1
3 653 1 1 14 HYP HB2 H 9.497 -1.528 2.799 1.00 . A A . 14 HYP HB2 1 1
3 654 1 1 14 HYP HB3 H 9.366 -0.177 3.938 1.00 . A A . 14 HYP HB3 1 1
3 655 1 1 14 HYP HD1 H 7.383 -0.097 4.996 1.00 . A A . 14 HYP HD1 1 1
3 656 1 1 14 HYP HD22 H 5.891 -0.460 1.902 1.00 . A A . 14 HYP HD22 1 1
3 657 1 1 14 HYP HD23 H 6.010 0.616 3.280 1.00 . A A . 14 HYP HD23 1 1
3 658 1 1 14 HYP HG H 7.239 -2.015 2.909 1.00 . A A . 14 HYP HG 1 1
3 659 1 1 14 HYP N N 7.510 0.888 1.797 1.00 . A A . 14 HYP N 1 1
3 660 1 1 14 HYP O O 10.765 0.045 0.419 1.00 . A A . 14 HYP O 1 1
3 661 1 1 14 HYP OD1 O 7.174 -0.987 4.701 1.00 . A A . 14 HYP OD1 1 1
3 662 1 1 15 ABA C C 9.984 -0.454 -2.532 1.00 . A A . 15 AIB C 1 1
3 663 1 1 15 ABA CA C 9.408 -1.546 -1.530 1.00 . A A . 15 AIB CA 1 1
3 664 1 1 15 ABA N N 8.848 -0.961 -0.267 1.00 . A A . 15 AIB N 1 1
3 665 1 1 15 ABA O O 11.120 -0.637 -2.990 1.00 . A A . 15 AIB O 1 1
3 666 1 1 16 PRO C C 11.033 2.657 -2.541 1.00 . A A . 16 PRO C 1 1
3 667 1 1 16 PRO CA C 10.051 1.877 -3.459 1.00 . A A . 16 PRO CA 1 1
3 668 1 1 16 PRO CB C 8.915 2.751 -4.015 1.00 . A A . 16 PRO CB 1 1
3 669 1 1 16 PRO CD C 7.936 1.029 -2.565 1.00 . A A . 16 PRO CD 1 1
3 670 1 1 16 PRO CG C 7.697 2.425 -3.157 1.00 . A A . 16 PRO CG 1 1
3 671 1 1 16 PRO HA H 10.660 1.518 -4.291 1.00 . A A . 16 PRO HA 1 1
3 672 1 1 16 PRO HB2 H 9.147 3.833 -4.003 1.00 . A A . 16 PRO HB2 1 1
3 673 1 1 16 PRO HB3 H 8.711 2.493 -5.071 1.00 . A A . 16 PRO HB3 1 1
3 674 1 1 16 PRO HD2 H 7.751 1.053 -1.483 1.00 . A A . 16 PRO HD2 1 1
3 675 1 1 16 PRO HD3 H 7.249 0.262 -2.956 1.00 . A A . 16 PRO HD3 1 1
3 676 1 1 16 PRO HG2 H 7.617 3.166 -2.342 1.00 . A A . 16 PRO HG2 1 1
3 677 1 1 16 PRO HG3 H 6.760 2.488 -3.737 1.00 . A A . 16 PRO HG3 1 1
3 678 1 1 16 PRO N N 9.341 0.714 -2.871 1.00 . A A . 16 PRO N 1 1
3 679 1 1 16 PRO O O 11.985 3.236 -3.069 1.00 . A A . 16 PRO O 1 1
3 680 1 1 17 PHL C C 12.111 2.856 0.892 1.00 . A A . 17 PHL C 1 1
3 681 1 1 17 PHL CA C 11.530 3.627 -0.310 1.00 . A A . 17 PHL CA 1 1
3 682 1 1 17 PHL CB C 10.583 4.774 0.138 1.00 . A A . 17 PHL CB 1 1
3 683 1 1 17 PHL CD1 C 10.793 6.310 -1.911 1.00 . A A . 17 PHL CD1 1 1
3 684 1 1 17 PHL CD2 C 8.587 5.792 -1.074 1.00 . A A . 17 PHL CD2 1 1
3 685 1 1 17 PHL CE1 C 10.224 7.060 -2.940 1.00 . A A . 17 PHL CE1 1 1
3 686 1 1 17 PHL CE2 C 8.021 6.544 -2.100 1.00 . A A . 17 PHL CE2 1 1
3 687 1 1 17 PHL CG C 9.977 5.667 -0.973 1.00 . A A . 17 PHL CG 1 1
3 688 1 1 17 PHL CZ C 8.841 7.179 -3.030 1.00 . A A . 17 PHL CZ 1 1
3 689 1 1 17 PHL H2 H 9.920 2.231 -0.937 1.00 . A A . 17 PHL H2 1 1
3 690 1 1 17 PHL HA H 12.395 4.086 -0.831 1.00 . A A . 17 PHL HA 1 1
3 691 1 1 17 PHL HB2 H 9.775 4.313 0.740 1.00 . A A . 17 PHL HB2 1 1
3 692 1 1 17 PHL HB3 H 11.124 5.433 0.843 1.00 . A A . 17 PHL HB3 1 1
3 693 1 1 17 PHL HC1 H 12.650 1.947 0.562 1.00 . A A . 17 PHL HC1 1 1
3 694 1 1 17 PHL HC2 H 11.306 2.507 1.566 1.00 . A A . 17 PHL HC2 1 1
3 695 1 1 17 PHL HD1 H 11.866 6.195 -1.870 1.00 . A A . 17 PHL HD1 1 1
3 696 1 1 17 PHL HD2 H 7.941 5.290 -0.370 1.00 . A A . 17 PHL HD2 1 1
3 697 1 1 17 PHL HE1 H 10.857 7.538 -3.671 1.00 . A A . 17 PHL HE1 1 1
3 698 1 1 17 PHL HE2 H 6.947 6.625 -2.177 1.00 . A A . 17 PHL HE2 1 1
3 699 1 1 17 PHL HO H 13.709 3.922 1.022 1.00 . A A . 17 PHL HO 1 1
3 700 1 1 17 PHL HZ H 8.400 7.762 -3.823 1.00 . A A . 17 PHL HZ 1 1
3 701 1 1 17 PHL N N 10.790 2.707 -1.215 1.00 . A A . 17 PHL N 1 1
3 702 1 1 17 PHL O O 13.009 3.672 1.632 1.00 . A A . 17 PHL O 1 1
4 703 1 1 1 ACE C C -11.583 -1.587 -1.196 1.00 . A A . 1 ACE C 1 1
4 704 1 1 1 ACE CH3 C -12.607 -2.720 -1.183 1.00 . A A . 1 ACE CH3 1 1
4 705 1 1 1 ACE H1 H -13.640 -2.348 -1.329 1.00 . A A . 1 ACE H1 1 1
4 706 1 1 1 ACE H2 H -12.405 -3.449 -1.988 1.00 . A A . 1 ACE H2 1 1
4 707 1 1 1 ACE H3 H -12.581 -3.269 -0.222 1.00 . A A . 1 ACE H3 1 1
4 708 1 1 1 ACE O O -10.504 -1.726 -1.778 1.00 . A A . 1 ACE O 1 1
4 709 1 1 2 TRP C C -9.994 0.527 0.832 1.00 . A A . 2 TRP C 1 1
4 710 1 1 2 TRP CA C -11.032 0.684 -0.330 1.00 . A A . 2 TRP CA 1 1
4 711 1 1 2 TRP CB C -11.897 1.967 -0.183 1.00 . A A . 2 TRP CB 1 1
4 712 1 1 2 TRP CD1 C -11.132 3.601 -2.070 1.00 . A A . 2 TRP CD1 1 1
4 713 1 1 2 TRP CD2 C -10.717 4.321 -0.006 1.00 . A A . 2 TRP CD2 1 1
4 714 1 1 2 TRP CE2 C -10.318 5.305 -0.947 1.00 . A A . 2 TRP CE2 1 1
4 715 1 1 2 TRP CE3 C -10.590 4.565 1.386 1.00 . A A . 2 TRP CE3 1 1
4 716 1 1 2 TRP CG C -11.235 3.247 -0.707 1.00 . A A . 2 TRP CG 1 1
4 717 1 1 2 TRP CH2 C -9.682 6.768 0.871 1.00 . A A . 2 TRP CH2 1 1
4 718 1 1 2 TRP CZ2 C -9.800 6.546 -0.503 1.00 . A A . 2 TRP CZ2 1 1
4 719 1 1 2 TRP CZ3 C -10.069 5.794 1.799 1.00 . A A . 2 TRP CZ3 1 1
4 720 1 1 2 TRP H H -12.869 -0.523 -0.090 1.00 . A A . 2 TRP H 1 1
4 721 1 1 2 TRP HA H -10.443 0.787 -1.263 1.00 . A A . 2 TRP HA 1 1
4 722 1 1 2 TRP HB2 H -12.849 1.862 -0.740 1.00 . A A . 2 TRP HB2 1 1
4 723 1 1 2 TRP HB3 H -12.216 2.095 0.869 1.00 . A A . 2 TRP HB3 1 1
4 724 1 1 2 TRP HD1 H -11.481 2.983 -2.886 1.00 . A A . 2 TRP HD1 1 1
4 725 1 1 2 TRP HE1 H -10.417 5.387 -3.118 1.00 . A A . 2 TRP HE1 1 1
4 726 1 1 2 TRP HE3 H -10.895 3.829 2.113 1.00 . A A . 2 TRP HE3 1 1
4 727 1 1 2 TRP HH2 H -9.292 7.712 1.223 1.00 . A A . 2 TRP HH2 1 1
4 728 1 1 2 TRP HZ2 H -9.512 7.313 -1.207 1.00 . A A . 2 TRP HZ2 1 1
4 729 1 1 2 TRP HZ3 H -9.972 6.001 2.855 1.00 . A A . 2 TRP HZ3 1 1
4 730 1 1 2 TRP N N -11.939 -0.484 -0.522 1.00 . A A . 2 TRP N 1 1
4 731 1 1 2 TRP NE1 N -10.562 4.874 -2.242 1.00 . A A . 2 TRP NE1 1 1
4 732 1 1 2 TRP O O -8.871 1.025 0.710 1.00 . A A . 2 TRP O 1 1
4 733 1 1 3 ILE C C -8.499 -1.973 2.273 1.00 . A A . 3 ILE C 1 1
4 734 1 1 3 ILE CA C -9.339 -0.786 2.860 1.00 . A A . 3 ILE CA 1 1
4 735 1 1 3 ILE CB C -9.997 -1.112 4.252 1.00 . A A . 3 ILE CB 1 1
4 736 1 1 3 ILE CD1 C -9.419 -1.544 6.796 1.00 . A A . 3 ILE CD1 1 1
4 737 1 1 3 ILE CG1 C -8.934 -1.467 5.339 1.00 . A A . 3 ILE CG1 1 1
4 738 1 1 3 ILE CG2 C -11.113 -2.191 4.167 1.00 . A A . 3 ILE CG2 1 1
4 739 1 1 3 ILE H H -11.308 -0.526 1.912 1.00 . A A . 3 ILE H 1 1
4 740 1 1 3 ILE HA H -8.589 0.013 3.022 1.00 . A A . 3 ILE HA 1 1
4 741 1 1 3 ILE HB H -10.488 -0.181 4.597 1.00 . A A . 3 ILE HB 1 1
4 742 1 1 3 ILE HD11 H -10.160 -2.350 6.947 1.00 . A A . 3 ILE HD11 1 1
4 743 1 1 3 ILE HD12 H -8.573 -1.756 7.475 1.00 . A A . 3 ILE HD12 1 1
4 744 1 1 3 ILE HD13 H -9.877 -0.595 7.129 1.00 . A A . 3 ILE HD13 1 1
4 745 1 1 3 ILE HG12 H -8.444 -2.428 5.091 1.00 . A A . 3 ILE HG12 1 1
4 746 1 1 3 ILE HG13 H -8.122 -0.720 5.304 1.00 . A A . 3 ILE HG13 1 1
4 747 1 1 3 ILE HG21 H -10.716 -3.180 3.871 1.00 . A A . 3 ILE HG21 1 1
4 748 1 1 3 ILE HG22 H -11.636 -2.324 5.131 1.00 . A A . 3 ILE HG22 1 1
4 749 1 1 3 ILE HG23 H -11.890 -1.924 3.428 1.00 . A A . 3 ILE HG23 1 1
4 750 1 1 3 ILE N N -10.340 -0.188 1.924 1.00 . A A . 3 ILE N 1 1
4 751 1 1 3 ILE O O -7.336 -2.113 2.658 1.00 . A A . 3 ILE O 1 1
4 752 1 1 4 GLN C C -7.123 -3.128 -0.320 1.00 . A A . 4 GLN C 1 1
4 753 1 1 4 GLN CA C -8.208 -3.784 0.585 1.00 . A A . 4 GLN CA 1 1
4 754 1 1 4 GLN CB C -9.116 -4.757 -0.220 1.00 . A A . 4 GLN CB 1 1
4 755 1 1 4 GLN CD C -9.754 -7.226 -0.657 1.00 . A A . 4 GLN CD 1 1
4 756 1 1 4 GLN CG C -8.735 -6.247 -0.047 1.00 . A A . 4 GLN CG 1 1
4 757 1 1 4 GLN H H -10.000 -2.596 1.093 1.00 . A A . 4 GLN H 1 1
4 758 1 1 4 GLN HA H -7.659 -4.379 1.348 1.00 . A A . 4 GLN HA 1 1
4 759 1 1 4 GLN HB2 H -10.175 -4.644 0.086 1.00 . A A . 4 GLN HB2 1 1
4 760 1 1 4 GLN HB3 H -9.125 -4.501 -1.297 1.00 . A A . 4 GLN HB3 1 1
4 761 1 1 4 GLN HE21 H -8.394 -7.896 -1.972 1.00 . A A . 4 GLN HE21 1 1
4 762 1 1 4 GLN HE22 H -10.045 -8.696 -1.983 1.00 . A A . 4 GLN HE22 1 1
4 763 1 1 4 GLN HG2 H -7.716 -6.418 -0.445 1.00 . A A . 4 GLN HG2 1 1
4 764 1 1 4 GLN HG3 H -8.660 -6.483 1.032 1.00 . A A . 4 GLN HG3 1 1
4 765 1 1 4 GLN N N -9.032 -2.807 1.357 1.00 . A A . 4 GLN N 1 1
4 766 1 1 4 GLN NE2 N -9.363 -8.005 -1.653 1.00 . A A . 4 GLN NE2 1 1
4 767 1 1 4 GLN O O -5.988 -3.610 -0.317 1.00 . A A . 4 GLN O 1 1
4 768 1 1 4 GLN OE1 O -10.899 -7.312 -0.215 1.00 . A A . 4 GLN OE1 1 1
4 769 1 1 5 . C C -5.382 -0.572 -0.787 1.00 . A A . 5 DIV C 1 1
4 770 1 1 5 . CA C -6.506 -1.135 -1.753 1.00 . A A . 5 DIV CA 1 1
4 771 1 1 5 . CB1 C -5.919 -1.936 -2.962 1.00 . A A . 5 DIV CB1 1 1
4 772 1 1 5 . CB2 C -7.320 0.081 -2.288 1.00 . A A . 5 DIV CB2 1 1
4 773 1 1 5 . CG1 C -6.789 -2.279 -4.192 1.00 . A A . 5 DIV CG1 1 1
4 774 1 1 5 . H2 H -8.399 -1.676 -0.853 1.00 . A A . 5 DIV H2 1 1
4 775 1 1 5 . HB11 H -5.056 -1.370 -3.295 1.00 . A A . 5 DIV HB11 1 1
4 776 1 1 5 . HB12 H -5.470 -2.882 -2.617 1.00 . A A . 5 DIV HB12 1 1
4 777 1 1 5 . HB21 H -7.779 0.672 -1.481 1.00 . A A . 5 DIV HB21 1 1
4 778 1 1 5 . HB22 H -6.686 0.780 -2.862 1.00 . A A . 5 DIV HB22 1 1
4 779 1 1 5 . HB23 H -8.154 -0.211 -2.951 1.00 . A A . 5 DIV HB23 1 1
4 780 1 1 5 . HG11 H -7.173 -1.375 -4.700 1.00 . A A . 5 DIV HG11 1 1
4 781 1 1 5 . HG12 H -6.203 -2.836 -4.945 1.00 . A A . 5 DIV HG12 1 1
4 782 1 1 5 . HG13 H -7.661 -2.904 -3.919 1.00 . A A . 5 DIV HG13 1 1
4 783 1 1 5 . N N -7.462 -2.023 -1.036 1.00 . A A . 5 DIV N 1 1
4 784 1 1 5 . O O -4.192 -0.724 -1.071 1.00 . A A . 5 DIV O 1 1
4 785 1 1 6 ILE C C -3.867 -0.628 2.046 1.00 . A A . 6 ILE C 1 1
4 786 1 1 6 ILE CA C -4.763 0.497 1.403 1.00 . A A . 6 ILE CA 1 1
4 787 1 1 6 ILE CB C -5.435 1.505 2.423 1.00 . A A . 6 ILE CB 1 1
4 788 1 1 6 ILE CD1 C -5.195 3.966 3.349 1.00 . A A . 6 ILE CD1 1 1
4 789 1 1 6 ILE CG1 C -4.547 2.771 2.626 1.00 . A A . 6 ILE CG1 1 1
4 790 1 1 6 ILE CG2 C -5.848 0.901 3.790 1.00 . A A . 6 ILE CG2 1 1
4 791 1 1 6 ILE H H -6.765 0.107 0.513 1.00 . A A . 6 ILE H 1 1
4 792 1 1 6 ILE HA H -4.034 1.091 0.815 1.00 . A A . 6 ILE HA 1 1
4 793 1 1 6 ILE HB H -6.386 1.868 1.978 1.00 . A A . 6 ILE HB 1 1
4 794 1 1 6 ILE HD11 H -5.410 3.745 4.410 1.00 . A A . 6 ILE HD11 1 1
4 795 1 1 6 ILE HD12 H -4.523 4.843 3.331 1.00 . A A . 6 ILE HD12 1 1
4 796 1 1 6 ILE HD13 H -6.143 4.271 2.868 1.00 . A A . 6 ILE HD13 1 1
4 797 1 1 6 ILE HG12 H -3.613 2.493 3.150 1.00 . A A . 6 ILE HG12 1 1
4 798 1 1 6 ILE HG13 H -4.220 3.147 1.640 1.00 . A A . 6 ILE HG13 1 1
4 799 1 1 6 ILE HG21 H -4.970 0.667 4.422 1.00 . A A . 6 ILE HG21 1 1
4 800 1 1 6 ILE HG22 H -6.494 1.586 4.370 1.00 . A A . 6 ILE HG22 1 1
4 801 1 1 6 ILE HG23 H -6.411 -0.037 3.673 1.00 . A A . 6 ILE HG23 1 1
4 802 1 1 6 ILE N N -5.750 0.037 0.373 1.00 . A A . 6 ILE N 1 1
4 803 1 1 6 ILE O O -2.757 -0.325 2.492 1.00 . A A . 6 ILE O 1 1
4 804 1 1 7 THR C C -2.539 -3.590 1.460 1.00 . A A . 7 THR C 1 1
4 805 1 1 7 THR CA C -3.551 -3.075 2.524 1.00 . A A . 7 THR CA 1 1
4 806 1 1 7 THR CB C -4.516 -4.160 3.090 1.00 . A A . 7 THR CB 1 1
4 807 1 1 7 THR CG2 C -3.844 -5.442 3.616 1.00 . A A . 7 THR CG2 1 1
4 808 1 1 7 THR H H -5.281 -2.000 1.692 1.00 . A A . 7 THR H 1 1
4 809 1 1 7 THR HA H -2.931 -2.748 3.369 1.00 . A A . 7 THR HA 1 1
4 810 1 1 7 THR HB H -5.232 -4.456 2.302 1.00 . A A . 7 THR HB 1 1
4 811 1 1 7 THR HG1 H -5.524 -2.730 3.893 1.00 . A A . 7 THR HG1 1 1
4 812 1 1 7 THR HG21 H -4.582 -6.116 4.087 1.00 . A A . 7 THR HG21 1 1
4 813 1 1 7 THR HG22 H -3.366 -6.012 2.799 1.00 . A A . 7 THR HG22 1 1
4 814 1 1 7 THR HG23 H -3.067 -5.227 4.372 1.00 . A A . 7 THR HG23 1 1
4 815 1 1 7 THR N N -4.333 -1.895 2.071 1.00 . A A . 7 THR N 1 1
4 816 1 1 7 THR O O -1.372 -3.750 1.817 1.00 . A A . 7 THR O 1 1
4 817 1 1 7 THR OG1 O -5.256 -3.608 4.176 1.00 . A A . 7 THR OG1 1 1
4 818 1 1 8 ABA C C -0.862 -3.016 -1.170 1.00 . A A . 8 AIB C 1 1
4 819 1 1 8 ABA CA C -1.980 -4.120 -0.943 1.00 . A A . 8 AIB CA 1 1
4 820 1 1 8 ABA N N -2.938 -3.823 0.186 1.00 . A A . 8 AIB N 1 1
4 821 1 1 8 ABA O O 0.298 -3.317 -1.471 1.00 . A A . 8 AIB O 1 1
4 822 1 1 9 LEU C C 0.488 -0.245 0.218 1.00 . A A . 9 LEU C 1 1
4 823 1 1 9 LEU CA C -0.313 -0.566 -1.090 1.00 . A A . 9 LEU CA 1 1
4 824 1 1 9 LEU CB C -1.131 0.654 -1.607 1.00 . A A . 9 LEU CB 1 1
4 825 1 1 9 LEU CD1 C -2.767 1.419 -3.454 1.00 . A A . 9 LEU CD1 1 1
4 826 1 1 9 LEU CD2 C -0.324 1.094 -4.003 1.00 . A A . 9 LEU CD2 1 1
4 827 1 1 9 LEU CG C -1.497 0.613 -3.124 1.00 . A A . 9 LEU CG 1 1
4 828 1 1 9 LEU H H -2.214 -1.614 -0.715 1.00 . A A . 9 LEU H 1 1
4 829 1 1 9 LEU HA H 0.459 -0.766 -1.853 1.00 . A A . 9 LEU HA 1 1
4 830 1 1 9 LEU HB2 H -2.041 0.764 -0.988 1.00 . A A . 9 LEU HB2 1 1
4 831 1 1 9 LEU HB3 H -0.570 1.584 -1.411 1.00 . A A . 9 LEU HB3 1 1
4 832 1 1 9 LEU HD11 H -2.667 2.488 -3.192 1.00 . A A . 9 LEU HD11 1 1
4 833 1 1 9 LEU HD12 H -3.012 1.365 -4.531 1.00 . A A . 9 LEU HD12 1 1
4 834 1 1 9 LEU HD13 H -3.650 1.030 -2.918 1.00 . A A . 9 LEU HD13 1 1
4 835 1 1 9 LEU HD21 H 0.596 0.511 -3.818 1.00 . A A . 9 LEU HD21 1 1
4 836 1 1 9 LEU HD22 H -0.547 1.001 -5.083 1.00 . A A . 9 LEU HD22 1 1
4 837 1 1 9 LEU HD23 H -0.076 2.155 -3.808 1.00 . A A . 9 LEU HD23 1 1
4 838 1 1 9 LEU HG H -1.721 -0.431 -3.410 1.00 . A A . 9 LEU HG 1 1
4 839 1 1 9 LEU N N -1.240 -1.728 -1.020 1.00 . A A . 9 LEU N 1 1
4 840 1 1 9 LEU O O 1.447 0.525 0.117 1.00 . A A . 9 LEU O 1 1
4 841 1 1 10 ABA C C 2.461 -1.277 2.452 1.00 . A A . 10 AIB C 1 1
4 842 1 1 10 ABA CA C 0.979 -0.736 2.664 1.00 . A A . 10 AIB CA 1 1
4 843 1 1 10 ABA N N 0.155 -0.822 1.409 1.00 . A A . 10 AIB N 1 1
4 844 1 1 10 ABA O O 3.384 -0.496 2.702 1.00 . A A . 10 AIB O 1 1
4 845 1 1 11 HYP C C 4.731 -2.134 0.210 1.00 . A A . 11 HYP C 1 1
4 846 1 1 11 HYP CA C 4.161 -2.868 1.472 1.00 . A A . 11 HYP CA 1 1
4 847 1 1 11 HYP CB C 4.077 -4.394 1.272 1.00 . A A . 11 HYP CB 1 1
4 848 1 1 11 HYP CD C 1.849 -3.634 1.771 1.00 . A A . 11 HYP CD 1 1
4 849 1 1 11 HYP CG C 2.612 -4.674 0.947 1.00 . A A . 11 HYP CG 1 1
4 850 1 1 11 HYP HA H 4.874 -2.682 2.295 1.00 . A A . 11 HYP HA 1 1
4 851 1 1 11 HYP HB2 H 4.756 -4.782 0.492 1.00 . A A . 11 HYP HB2 1 1
4 852 1 1 11 HYP HB3 H 4.359 -4.910 2.208 1.00 . A A . 11 HYP HB3 1 1
4 853 1 1 11 HYP HD1 H 1.376 -5.921 1.738 1.00 . A A . 11 HYP HD1 1 1
4 854 1 1 11 HYP HD22 H 0.932 -3.340 1.240 1.00 . A A . 11 HYP HD22 1 1
4 855 1 1 11 HYP HD23 H 1.573 -4.043 2.762 1.00 . A A . 11 HYP HD23 1 1
4 856 1 1 11 HYP HG H 2.424 -4.519 -0.134 1.00 . A A . 11 HYP HG 1 1
4 857 1 1 11 HYP N N 2.790 -2.513 1.940 1.00 . A A . 11 HYP N 1 1
4 858 1 1 11 HYP O O 5.930 -2.283 -0.049 1.00 . A A . 11 HYP O 1 1
4 859 1 1 11 HYP OD1 O 2.239 -5.995 1.323 1.00 . A A . 11 HYP OD1 1 1
4 860 1 1 12 GLN C C 4.728 1.090 -1.057 1.00 . A A . 12 GLN C 1 1
4 861 1 1 12 GLN CA C 4.471 -0.373 -1.547 1.00 . A A . 12 GLN CA 1 1
4 862 1 1 12 GLN CB C 3.547 -0.377 -2.798 1.00 . A A . 12 GLN CB 1 1
4 863 1 1 12 GLN CD C 2.565 -1.674 -4.793 1.00 . A A . 12 GLN CD 1 1
4 864 1 1 12 GLN CG C 3.256 -1.759 -3.419 1.00 . A A . 12 GLN CG 1 1
4 865 1 1 12 GLN H H 2.996 -1.158 -0.168 1.00 . A A . 12 GLN H 1 1
4 866 1 1 12 GLN HA H 5.468 -0.725 -1.851 1.00 . A A . 12 GLN HA 1 1
4 867 1 1 12 GLN HB2 H 2.587 0.114 -2.554 1.00 . A A . 12 GLN HB2 1 1
4 868 1 1 12 GLN HB3 H 4.007 0.268 -3.566 1.00 . A A . 12 GLN HB3 1 1
4 869 1 1 12 GLN HE21 H 0.970 -2.677 -4.108 1.00 . A A . 12 GLN HE21 1 1
4 870 1 1 12 GLN HE22 H 0.944 -2.119 -5.861 1.00 . A A . 12 GLN HE22 1 1
4 871 1 1 12 GLN HG2 H 4.205 -2.320 -3.518 1.00 . A A . 12 GLN HG2 1 1
4 872 1 1 12 GLN HG3 H 2.649 -2.330 -2.683 1.00 . A A . 12 GLN HG3 1 1
4 873 1 1 12 GLN N N 3.943 -1.312 -0.519 1.00 . A A . 12 GLN N 1 1
4 874 1 1 12 GLN NE2 N 1.367 -2.208 -4.928 1.00 . A A . 12 GLN NE2 1 1
4 875 1 1 12 GLN O O 4.955 1.948 -1.911 1.00 . A A . 12 GLN O 1 1
4 876 1 1 12 GLN OE1 O 3.110 -1.124 -5.750 1.00 . A A . 12 GLN OE1 1 1
4 877 1 1 13 ABA C C 7.061 1.943 1.110 1.00 . A A . 13 AIB C 1 1
4 878 1 1 13 ABA CA C 5.550 2.450 0.928 1.00 . A A . 13 AIB CA 1 1
4 879 1 1 13 ABA N N 4.757 1.362 0.270 1.00 . A A . 13 AIB N 1 1
4 880 1 1 13 ABA O O 7.965 2.537 0.498 1.00 . A A . 13 AIB O 1 1
4 881 1 1 14 HYP C C 9.530 -0.219 0.715 1.00 . A A . 14 HYP C 1 1
4 882 1 1 14 HYP CA C 8.833 0.368 1.979 1.00 . A A . 14 HYP CA 1 1
4 883 1 1 14 HYP CB C 8.797 -0.659 3.128 1.00 . A A . 14 HYP CB 1 1
4 884 1 1 14 HYP CD C 6.506 -0.019 2.595 1.00 . A A . 14 HYP CD 1 1
4 885 1 1 14 HYP CG C 7.338 -1.059 3.343 1.00 . A A . 14 HYP CG 1 1
4 886 1 1 14 HYP HA H 9.446 1.219 2.330 1.00 . A A . 14 HYP HA 1 1
4 887 1 1 14 HYP HB2 H 9.407 -1.555 2.909 1.00 . A A . 14 HYP HB2 1 1
4 888 1 1 14 HYP HB3 H 9.222 -0.211 4.048 1.00 . A A . 14 HYP HB3 1 1
4 889 1 1 14 HYP HD1 H 7.202 -0.171 5.040 1.00 . A A . 14 HYP HD1 1 1
4 890 1 1 14 HYP HD22 H 5.816 -0.512 1.903 1.00 . A A . 14 HYP HD22 1 1
4 891 1 1 14 HYP HD23 H 5.893 0.557 3.288 1.00 . A A . 14 HYP HD23 1 1
4 892 1 1 14 HYP HG H 7.152 -2.065 2.926 1.00 . A A . 14 HYP HG 1 1
4 893 1 1 14 HYP N N 7.433 0.845 1.854 1.00 . A A . 14 HYP N 1 1
4 894 1 1 14 HYP O O 10.732 0.010 0.578 1.00 . A A . 14 HYP O 1 1
4 895 1 1 14 HYP OD1 O 7.017 -1.061 4.729 1.00 . A A . 14 HYP OD1 1 1
4 896 1 1 15 ABA C C 10.050 -0.454 -2.391 1.00 . A A . 15 AIB C 1 1
4 897 1 1 15 ABA CA C 9.440 -1.558 -1.422 1.00 . A A . 15 AIB CA 1 1
4 898 1 1 15 ABA N N 8.837 -0.982 -0.174 1.00 . A A . 15 AIB N 1 1
4 899 1 1 15 ABA O O 11.209 -0.618 -2.795 1.00 . A A . 15 AIB O 1 1
4 900 1 1 16 PRO C C 11.060 2.677 -2.354 1.00 . A A . 16 PRO C 1 1
4 901 1 1 16 PRO CA C 10.126 1.881 -3.308 1.00 . A A . 16 PRO CA 1 1
4 902 1 1 16 PRO CB C 8.999 2.736 -3.918 1.00 . A A . 16 PRO CB 1 1
4 903 1 1 16 PRO CD C 7.987 1.003 -2.502 1.00 . A A . 16 PRO CD 1 1
4 904 1 1 16 PRO CG C 7.746 2.387 -3.120 1.00 . A A . 16 PRO CG 1 1
4 905 1 1 16 PRO HA H 10.775 1.531 -4.113 1.00 . A A . 16 PRO HA 1 1
4 906 1 1 16 PRO HB2 H 9.210 3.822 -3.898 1.00 . A A . 16 PRO HB2 1 1
4 907 1 1 16 PRO HB3 H 8.852 2.473 -4.982 1.00 . A A . 16 PRO HB3 1 1
4 908 1 1 16 PRO HD2 H 7.766 1.039 -1.426 1.00 . A A . 16 PRO HD2 1 1
4 909 1 1 16 PRO HD3 H 7.326 0.226 -2.911 1.00 . A A . 16 PRO HD3 1 1
4 910 1 1 16 PRO HG2 H 7.604 3.132 -2.317 1.00 . A A . 16 PRO HG2 1 1
4 911 1 1 16 PRO HG3 H 6.839 2.421 -3.749 1.00 . A A . 16 PRO HG3 1 1
4 912 1 1 16 PRO N N 9.407 0.706 -2.751 1.00 . A A . 16 PRO N 1 1
4 913 1 1 16 PRO O O 12.010 3.293 -2.850 1.00 . A A . 16 PRO O 1 1
4 914 1 1 17 PHL C C 12.011 2.850 1.139 1.00 . A A . 17 PHL C 1 1
4 915 1 1 17 PHL CA C 11.492 3.617 -0.096 1.00 . A A . 17 PHL CA 1 1
4 916 1 1 17 PHL CB C 10.532 4.761 0.322 1.00 . A A . 17 PHL CB 1 1
4 917 1 1 17 PHL CD1 C 10.862 6.398 -1.624 1.00 . A A . 17 PHL CD1 1 1
4 918 1 1 17 PHL CD2 C 8.619 5.687 -1.086 1.00 . A A . 17 PHL CD2 1 1
4 919 1 1 17 PHL CE1 C 10.367 7.150 -2.684 1.00 . A A . 17 PHL CE1 1 1
4 920 1 1 17 PHL CE2 C 8.125 6.442 -2.144 1.00 . A A . 17 PHL CE2 1 1
4 921 1 1 17 PHL CG C 9.990 5.658 -0.814 1.00 . A A . 17 PHL CG 1 1
4 922 1 1 17 PHL CZ C 8.999 7.179 -2.940 1.00 . A A . 17 PHL CZ 1 1
4 923 1 1 17 PHL H2 H 9.917 2.206 -0.781 1.00 . A A . 17 PHL H2 1 1
4 924 1 1 17 PHL HA H 12.384 4.079 -0.567 1.00 . A A . 17 PHL HA 1 1
4 925 1 1 17 PHL HB2 H 9.694 4.298 0.878 1.00 . A A . 17 PHL HB2 1 1
4 926 1 1 17 PHL HB3 H 11.043 5.410 1.059 1.00 . A A . 17 PHL HB3 1 1
4 927 1 1 17 PHL HC1 H 11.181 2.389 1.699 1.00 . A A . 17 PHL HC1 1 1
4 928 1 1 17 PHL HC2 H 12.499 3.541 1.853 1.00 . A A . 17 PHL HC2 1 1
4 929 1 1 17 PHL HD1 H 11.928 6.355 -1.455 1.00 . A A . 17 PHL HD1 1 1
4 930 1 1 17 PHL HD2 H 7.934 5.102 -0.491 1.00 . A A . 17 PHL HD2 1 1
4 931 1 1 17 PHL HE1 H 11.045 7.706 -3.316 1.00 . A A . 17 PHL HE1 1 1
4 932 1 1 17 PHL HE2 H 7.066 6.449 -2.354 1.00 . A A . 17 PHL HE2 1 1
4 933 1 1 17 PHL HO H 12.488 1.276 0.144 1.00 . A A . 17 PHL HO 1 1
4 934 1 1 17 PHL HZ H 8.614 7.770 -3.757 1.00 . A A . 17 PHL HZ 1 1
4 935 1 1 17 PHL N N 10.788 2.702 -1.036 1.00 . A A . 17 PHL N 1 1
4 936 1 1 17 PHL O O 12.949 1.846 0.766 1.00 . A A . 17 PHL O 1 1
5 937 1 1 1 ACE C C -11.663 -1.626 -0.859 1.00 . A A . 1 ACE C 1 1
5 938 1 1 1 ACE CH3 C -12.606 -2.829 -0.896 1.00 . A A . 1 ACE CH3 1 1
5 939 1 1 1 ACE H1 H -13.664 -2.529 -1.020 1.00 . A A . 1 ACE H1 1 1
5 940 1 1 1 ACE H2 H -12.354 -3.500 -1.738 1.00 . A A . 1 ACE H2 1 1
5 941 1 1 1 ACE H3 H -12.528 -3.421 0.035 1.00 . A A . 1 ACE H3 1 1
5 942 1 1 1 ACE O O -10.586 -1.664 -1.462 1.00 . A A . 1 ACE O 1 1
5 943 1 1 2 TRP C C -10.026 0.341 1.142 1.00 . A A . 2 TRP C 1 1
5 944 1 1 2 TRP CA C -11.200 0.609 0.150 1.00 . A A . 2 TRP CA 1 1
5 945 1 1 2 TRP CB C -12.013 1.839 0.639 1.00 . A A . 2 TRP CB 1 1
5 946 1 1 2 TRP CD1 C -12.883 2.996 -1.558 1.00 . A A . 2 TRP CD1 1 1
5 947 1 1 2 TRP CD2 C -14.465 2.384 -0.116 1.00 . A A . 2 TRP CD2 1 1
5 948 1 1 2 TRP CE2 C -15.060 3.023 -1.231 1.00 . A A . 2 TRP CE2 1 1
5 949 1 1 2 TRP CE3 C -15.265 1.926 0.963 1.00 . A A . 2 TRP CE3 1 1
5 950 1 1 2 TRP CG C -13.096 2.365 -0.312 1.00 . A A . 2 TRP CG 1 1
5 951 1 1 2 TRP CH2 C -17.233 2.771 -0.197 1.00 . A A . 2 TRP CH2 1 1
5 952 1 1 2 TRP CZ2 C -16.462 3.225 -1.270 1.00 . A A . 2 TRP CZ2 1 1
5 953 1 1 2 TRP CZ3 C -16.645 2.130 0.899 1.00 . A A . 2 TRP CZ3 1 1
5 954 1 1 2 TRP H H -12.965 -0.720 0.369 1.00 . A A . 2 TRP H 1 1
5 955 1 1 2 TRP HA H -10.742 0.905 -0.817 1.00 . A A . 2 TRP HA 1 1
5 956 1 1 2 TRP HB2 H -12.454 1.625 1.633 1.00 . A A . 2 TRP HB2 1 1
5 957 1 1 2 TRP HB3 H -11.318 2.682 0.832 1.00 . A A . 2 TRP HB3 1 1
5 958 1 1 2 TRP HD1 H -11.912 3.163 -2.002 1.00 . A A . 2 TRP HD1 1 1
5 959 1 1 2 TRP HE1 H -14.226 3.907 -3.034 1.00 . A A . 2 TRP HE1 1 1
5 960 1 1 2 TRP HE3 H -14.824 1.438 1.819 1.00 . A A . 2 TRP HE3 1 1
5 961 1 1 2 TRP HH2 H -18.303 2.924 -0.210 1.00 . A A . 2 TRP HH2 1 1
5 962 1 1 2 TRP HZ2 H -16.928 3.730 -2.103 1.00 . A A . 2 TRP HZ2 1 1
5 963 1 1 2 TRP HZ3 H -17.265 1.794 1.718 1.00 . A A . 2 TRP HZ3 1 1
5 964 1 1 2 TRP N N -12.062 -0.589 -0.104 1.00 . A A . 2 TRP N 1 1
5 965 1 1 2 TRP NE1 N -14.093 3.407 -2.148 1.00 . A A . 2 TRP NE1 1 1
5 966 1 1 2 TRP O O -8.915 0.812 0.888 1.00 . A A . 2 TRP O 1 1
5 967 1 1 3 ILE C C -8.339 -2.096 2.478 1.00 . A A . 3 ILE C 1 1
5 968 1 1 3 ILE CA C -9.147 -0.915 3.121 1.00 . A A . 3 ILE CA 1 1
5 969 1 1 3 ILE CB C -9.619 -1.230 4.592 1.00 . A A . 3 ILE CB 1 1
5 970 1 1 3 ILE CD1 C -11.981 -0.495 5.378 1.00 . A A . 3 ILE CD1 1 1
5 971 1 1 3 ILE CG1 C -10.494 -0.119 5.269 1.00 . A A . 3 ILE CG1 1 1
5 972 1 1 3 ILE CG2 C -8.441 -1.562 5.546 1.00 . A A . 3 ILE CG2 1 1
5 973 1 1 3 ILE H H -11.216 -0.742 2.348 1.00 . A A . 3 ILE H 1 1
5 974 1 1 3 ILE HA H -8.422 -0.081 3.180 1.00 . A A . 3 ILE HA 1 1
5 975 1 1 3 ILE HB H -10.218 -2.160 4.541 1.00 . A A . 3 ILE HB 1 1
5 976 1 1 3 ILE HD11 H -12.119 -1.411 5.985 1.00 . A A . 3 ILE HD11 1 1
5 977 1 1 3 ILE HD12 H -12.563 0.310 5.866 1.00 . A A . 3 ILE HD12 1 1
5 978 1 1 3 ILE HD13 H -12.434 -0.679 4.384 1.00 . A A . 3 ILE HD13 1 1
5 979 1 1 3 ILE HG12 H -10.145 0.122 6.293 1.00 . A A . 3 ILE HG12 1 1
5 980 1 1 3 ILE HG13 H -10.399 0.840 4.722 1.00 . A A . 3 ILE HG13 1 1
5 981 1 1 3 ILE HG21 H -7.730 -0.720 5.622 1.00 . A A . 3 ILE HG21 1 1
5 982 1 1 3 ILE HG22 H -8.793 -1.793 6.569 1.00 . A A . 3 ILE HG22 1 1
5 983 1 1 3 ILE HG23 H -7.872 -2.450 5.214 1.00 . A A . 3 ILE HG23 1 1
5 984 1 1 3 ILE N N -10.250 -0.414 2.244 1.00 . A A . 3 ILE N 1 1
5 985 1 1 3 ILE O O -7.136 -2.165 2.734 1.00 . A A . 3 ILE O 1 1
5 986 1 1 4 GLN C C -7.107 -3.225 -0.168 1.00 . A A . 4 GLN C 1 1
5 987 1 1 4 GLN CA C -8.129 -3.919 0.781 1.00 . A A . 4 GLN CA 1 1
5 988 1 1 4 GLN CB C -9.042 -4.869 -0.040 1.00 . A A . 4 GLN CB 1 1
5 989 1 1 4 GLN CD C -8.829 -7.082 1.279 1.00 . A A . 4 GLN CD 1 1
5 990 1 1 4 GLN CG C -9.768 -5.982 0.750 1.00 . A A . 4 GLN CG 1 1
5 991 1 1 4 GLN H H -9.924 -2.826 1.469 1.00 . A A . 4 GLN H 1 1
5 992 1 1 4 GLN HA H -7.523 -4.548 1.464 1.00 . A A . 4 GLN HA 1 1
5 993 1 1 4 GLN HB2 H -9.793 -4.269 -0.587 1.00 . A A . 4 GLN HB2 1 1
5 994 1 1 4 GLN HB3 H -8.454 -5.361 -0.841 1.00 . A A . 4 GLN HB3 1 1
5 995 1 1 4 GLN HE21 H -9.317 -6.630 3.166 1.00 . A A . 4 GLN HE21 1 1
5 996 1 1 4 GLN HE22 H -8.082 -7.965 2.916 1.00 . A A . 4 GLN HE22 1 1
5 997 1 1 4 GLN HG2 H -10.382 -5.536 1.556 1.00 . A A . 4 GLN HG2 1 1
5 998 1 1 4 GLN HG3 H -10.498 -6.465 0.074 1.00 . A A . 4 GLN HG3 1 1
5 999 1 1 4 GLN N N -8.923 -2.983 1.638 1.00 . A A . 4 GLN N 1 1
5 1000 1 1 4 GLN NE2 N -8.728 -7.238 2.588 1.00 . A A . 4 GLN NE2 1 1
5 1001 1 1 4 GLN O O -5.956 -3.670 -0.209 1.00 . A A . 4 GLN O 1 1
5 1002 1 1 4 GLN OE1 O -8.186 -7.800 0.513 1.00 . A A . 4 GLN OE1 1 1
5 1003 1 1 5 . C C -5.458 -0.637 -0.828 1.00 . A A . 5 DIV C 1 1
5 1004 1 1 5 . CA C -6.601 -1.288 -1.708 1.00 . A A . 5 DIV CA 1 1
5 1005 1 1 5 . CB1 C -6.029 -2.134 -2.891 1.00 . A A . 5 DIV CB1 1 1
5 1006 1 1 5 . CB2 C -7.483 -0.130 -2.266 1.00 . A A . 5 DIV CB2 1 1
5 1007 1 1 5 . CG1 C -6.946 -2.646 -4.021 1.00 . A A . 5 DIV CG1 1 1
5 1008 1 1 5 . H2 H -8.426 -1.785 -0.688 1.00 . A A . 5 DIV H2 1 1
5 1009 1 1 5 . HB11 H -5.245 -1.524 -3.329 1.00 . A A . 5 DIV HB11 1 1
5 1010 1 1 5 . HB12 H -5.485 -3.013 -2.506 1.00 . A A . 5 DIV HB12 1 1
5 1011 1 1 5 . HB21 H -7.933 0.486 -1.466 1.00 . A A . 5 DIV HB21 1 1
5 1012 1 1 5 . HB22 H -6.898 0.557 -2.903 1.00 . A A . 5 DIV HB22 1 1
5 1013 1 1 5 . HB23 H -8.330 -0.492 -2.878 1.00 . A A . 5 DIV HB23 1 1
5 1014 1 1 5 . HG11 H -7.417 -1.817 -4.579 1.00 . A A . 5 DIV HG11 1 1
5 1015 1 1 5 . HG12 H -6.365 -3.237 -4.750 1.00 . A A . 5 DIV HG12 1 1
5 1016 1 1 5 . HG13 H -7.751 -3.299 -3.635 1.00 . A A . 5 DIV HG13 1 1
5 1017 1 1 5 . N N -7.502 -2.152 -0.899 1.00 . A A . 5 DIV N 1 1
5 1018 1 1 5 . O O -4.273 -0.757 -1.163 1.00 . A A . 5 DIV O 1 1
5 1019 1 1 6 ILE C C -3.834 -0.568 1.945 1.00 . A A . 6 ILE C 1 1
5 1020 1 1 6 ILE CA C -4.763 0.520 1.289 1.00 . A A . 6 ILE CA 1 1
5 1021 1 1 6 ILE CB C -5.419 1.546 2.295 1.00 . A A . 6 ILE CB 1 1
5 1022 1 1 6 ILE CD1 C -5.192 4.039 3.122 1.00 . A A . 6 ILE CD1 1 1
5 1023 1 1 6 ILE CG1 C -4.564 2.845 2.385 1.00 . A A . 6 ILE CG1 1 1
5 1024 1 1 6 ILE CG2 C -5.737 0.989 3.708 1.00 . A A . 6 ILE CG2 1 1
5 1025 1 1 6 ILE H H -6.787 0.012 0.543 1.00 . A A . 6 ILE H 1 1
5 1026 1 1 6 ILE HA H -4.068 1.095 0.646 1.00 . A A . 6 ILE HA 1 1
5 1027 1 1 6 ILE HB H -6.408 1.852 1.896 1.00 . A A . 6 ILE HB 1 1
5 1028 1 1 6 ILE HD11 H -5.351 3.826 4.194 1.00 . A A . 6 ILE HD11 1 1
5 1029 1 1 6 ILE HD12 H -4.534 4.926 3.063 1.00 . A A . 6 ILE HD12 1 1
5 1030 1 1 6 ILE HD13 H -6.166 4.325 2.686 1.00 . A A . 6 ILE HD13 1 1
5 1031 1 1 6 ILE HG12 H -3.581 2.617 2.840 1.00 . A A . 6 ILE HG12 1 1
5 1032 1 1 6 ILE HG13 H -4.328 3.196 1.363 1.00 . A A . 6 ILE HG13 1 1
5 1033 1 1 6 ILE HG21 H -4.822 0.839 4.312 1.00 . A A . 6 ILE HG21 1 1
5 1034 1 1 6 ILE HG22 H -6.400 1.664 4.278 1.00 . A A . 6 ILE HG22 1 1
5 1035 1 1 6 ILE HG23 H -6.242 0.012 3.657 1.00 . A A . 6 ILE HG23 1 1
5 1036 1 1 6 ILE N N -5.785 0.008 0.323 1.00 . A A . 6 ILE N 1 1
5 1037 1 1 6 ILE O O -2.734 -0.225 2.382 1.00 . A A . 6 ILE O 1 1
5 1038 1 1 7 THR C C -2.491 -3.542 1.447 1.00 . A A . 7 THR C 1 1
5 1039 1 1 7 THR CA C -3.480 -2.991 2.509 1.00 . A A . 7 THR CA 1 1
5 1040 1 1 7 THR CB C -4.433 -4.050 3.146 1.00 . A A . 7 THR CB 1 1
5 1041 1 1 7 THR CG2 C -3.770 -5.340 3.661 1.00 . A A . 7 THR CG2 1 1
5 1042 1 1 7 THR H H -5.189 -1.990 1.565 1.00 . A A . 7 THR H 1 1
5 1043 1 1 7 THR HA H -2.843 -2.617 3.321 1.00 . A A . 7 THR HA 1 1
5 1044 1 1 7 THR HB H -5.200 -4.346 2.406 1.00 . A A . 7 THR HB 1 1
5 1045 1 1 7 THR HG1 H -5.495 -2.653 3.934 1.00 . A A . 7 THR HG1 1 1
5 1046 1 1 7 THR HG21 H -4.507 -5.994 4.164 1.00 . A A . 7 THR HG21 1 1
5 1047 1 1 7 THR HG22 H -3.331 -5.932 2.838 1.00 . A A . 7 THR HG22 1 1
5 1048 1 1 7 THR HG23 H -2.965 -5.133 4.390 1.00 . A A . 7 THR HG23 1 1
5 1049 1 1 7 THR N N -4.277 -1.841 2.010 1.00 . A A . 7 THR N 1 1
5 1050 1 1 7 THR O O -1.323 -3.701 1.801 1.00 . A A . 7 THR O 1 1
5 1051 1 1 7 THR OG1 O -5.103 -3.467 4.260 1.00 . A A . 7 THR OG1 1 1
5 1052 1 1 8 ABA C C -0.835 -3.026 -1.196 1.00 . A A . 8 AIB C 1 1
5 1053 1 1 8 ABA CA C -1.952 -4.121 -0.949 1.00 . A A . 8 AIB CA 1 1
5 1054 1 1 8 ABA N N -2.899 -3.806 0.182 1.00 . A A . 8 AIB N 1 1
5 1055 1 1 8 ABA O O 0.329 -3.336 -1.474 1.00 . A A . 8 AIB O 1 1
5 1056 1 1 9 LEU C C 0.488 -0.197 0.112 1.00 . A A . 9 LEU C 1 1
5 1057 1 1 9 LEU CA C -0.287 -0.577 -1.194 1.00 . A A . 9 LEU CA 1 1
5 1058 1 1 9 LEU CB C -1.108 0.604 -1.785 1.00 . A A . 9 LEU CB 1 1
5 1059 1 1 9 LEU CD1 C -2.749 1.175 -3.700 1.00 . A A . 9 LEU CD1 1 1
5 1060 1 1 9 LEU CD2 C -0.266 1.018 -4.172 1.00 . A A . 9 LEU CD2 1 1
5 1061 1 1 9 LEU CG C -1.428 0.486 -3.309 1.00 . A A . 9 LEU CG 1 1
5 1062 1 1 9 LEU H H -2.188 -1.607 -0.807 1.00 . A A . 9 LEU H 1 1
5 1063 1 1 9 LEU HA H 0.497 -0.805 -1.937 1.00 . A A . 9 LEU HA 1 1
5 1064 1 1 9 LEU HB2 H -2.039 0.724 -1.199 1.00 . A A . 9 LEU HB2 1 1
5 1065 1 1 9 LEU HB3 H -0.567 1.551 -1.611 1.00 . A A . 9 LEU HB3 1 1
5 1066 1 1 9 LEU HD11 H -2.746 2.256 -3.468 1.00 . A A . 9 LEU HD11 1 1
5 1067 1 1 9 LEU HD12 H -2.954 1.070 -4.783 1.00 . A A . 9 LEU HD12 1 1
5 1068 1 1 9 LEU HD13 H -3.614 0.727 -3.178 1.00 . A A . 9 LEU HD13 1 1
5 1069 1 1 9 LEU HD21 H 0.687 0.511 -3.935 1.00 . A A . 9 LEU HD21 1 1
5 1070 1 1 9 LEU HD22 H -0.449 0.871 -5.254 1.00 . A A . 9 LEU HD22 1 1
5 1071 1 1 9 LEU HD23 H -0.106 2.102 -4.010 1.00 . A A . 9 LEU HD23 1 1
5 1072 1 1 9 LEU HG H -1.568 -0.583 -3.553 1.00 . A A . 9 LEU HG 1 1
5 1073 1 1 9 LEU N N -1.210 -1.737 -1.086 1.00 . A A . 9 LEU N 1 1
5 1074 1 1 9 LEU O O 1.447 0.575 -0.004 1.00 . A A . 9 LEU O 1 1
5 1075 1 1 10 ABA C C 2.422 -1.134 2.427 1.00 . A A . 10 AIB C 1 1
5 1076 1 1 10 ABA CA C 0.936 -0.581 2.583 1.00 . A A . 10 AIB CA 1 1
5 1077 1 1 10 ABA N N 0.139 -0.730 1.318 1.00 . A A . 10 AIB N 1 1
5 1078 1 1 10 ABA O O 3.342 -0.344 2.660 1.00 . A A . 10 AIB O 1 1
5 1079 1 1 11 HYP C C 4.736 -2.113 0.279 1.00 . A A . 11 HYP C 1 1
5 1080 1 1 11 HYP CA C 4.136 -2.781 1.567 1.00 . A A . 11 HYP CA 1 1
5 1081 1 1 11 HYP CB C 4.031 -4.315 1.440 1.00 . A A . 11 HYP CB 1 1
5 1082 1 1 11 HYP CD C 1.809 -3.509 1.808 1.00 . A A . 11 HYP CD 1 1
5 1083 1 1 11 HYP CG C 2.583 -4.572 1.031 1.00 . A A . 11 HYP CG 1 1
5 1084 1 1 11 HYP HA H 4.829 -2.563 2.399 1.00 . A A . 11 HYP HA 1 1
5 1085 1 1 11 HYP HB2 H 4.753 -4.751 0.725 1.00 . A A . 11 HYP HB2 1 1
5 1086 1 1 11 HYP HB3 H 4.239 -4.794 2.415 1.00 . A A . 11 HYP HB3 1 1
5 1087 1 1 11 HYP HD1 H 1.732 -5.799 2.244 1.00 . A A . 11 HYP HD1 1 1
5 1088 1 1 11 HYP HD22 H 0.917 -3.217 1.239 1.00 . A A . 11 HYP HD22 1 1
5 1089 1 1 11 HYP HD23 H 1.497 -3.892 2.801 1.00 . A A . 11 HYP HD23 1 1
5 1090 1 1 11 HYP HG H 2.470 -4.412 -0.058 1.00 . A A . 11 HYP HG 1 1
5 1091 1 1 11 HYP N N 2.756 -2.394 1.980 1.00 . A A . 11 HYP N 1 1
5 1092 1 1 11 HYP O O 5.939 -2.285 0.050 1.00 . A A . 11 HYP O 1 1
5 1093 1 1 11 HYP OD1 O 2.140 -5.877 1.379 1.00 . A A . 11 HYP OD1 1 1
5 1094 1 1 12 GLN C C 4.800 1.054 -1.133 1.00 . A A . 12 GLN C 1 1
5 1095 1 1 12 GLN CA C 4.528 -0.424 -1.562 1.00 . A A . 12 GLN CA 1 1
5 1096 1 1 12 GLN CB C 3.624 -0.464 -2.825 1.00 . A A . 12 GLN CB 1 1
5 1097 1 1 12 GLN CD C 2.650 -1.833 -4.777 1.00 . A A . 12 GLN CD 1 1
5 1098 1 1 12 GLN CG C 3.320 -1.865 -3.393 1.00 . A A . 12 GLN CG 1 1
5 1099 1 1 12 GLN H H 3.020 -1.127 -0.177 1.00 . A A . 12 GLN H 1 1
5 1100 1 1 12 GLN HA H 5.524 -0.802 -1.835 1.00 . A A . 12 GLN HA 1 1
5 1101 1 1 12 GLN HB2 H 2.670 0.056 -2.621 1.00 . A A . 12 GLN HB2 1 1
5 1102 1 1 12 GLN HB3 H 4.111 0.138 -3.611 1.00 . A A . 12 GLN HB3 1 1
5 1103 1 1 12 GLN HE21 H 1.056 -2.826 -4.083 1.00 . A A . 12 GLN HE21 1 1
5 1104 1 1 12 GLN HE22 H 1.059 -2.351 -5.861 1.00 . A A . 12 GLN HE22 1 1
5 1105 1 1 12 GLN HG2 H 4.260 -2.445 -3.455 1.00 . A A . 12 GLN HG2 1 1
5 1106 1 1 12 GLN HG3 H 2.693 -2.396 -2.643 1.00 . A A . 12 GLN HG3 1 1
5 1107 1 1 12 GLN N N 3.970 -1.312 -0.502 1.00 . A A . 12 GLN N 1 1
5 1108 1 1 12 GLN NE2 N 1.459 -2.384 -4.915 1.00 . A A . 12 GLN NE2 1 1
5 1109 1 1 12 GLN O O 5.095 1.862 -2.014 1.00 . A A . 12 GLN O 1 1
5 1110 1 1 12 GLN OE1 O 3.201 -1.318 -5.750 1.00 . A A . 12 GLN OE1 1 1
5 1111 1 1 13 ABA C C 7.071 1.977 1.041 1.00 . A A . 13 AIB C 1 1
5 1112 1 1 13 ABA CA C 5.570 2.497 0.814 1.00 . A A . 13 AIB CA 1 1
5 1113 1 1 13 ABA N N 4.773 1.395 0.179 1.00 . A A . 13 AIB N 1 1
5 1114 1 1 13 ABA O O 7.988 2.539 0.419 1.00 . A A . 13 AIB O 1 1
5 1115 1 1 14 HYP C C 9.532 -0.204 0.763 1.00 . A A . 14 HYP C 1 1
5 1116 1 1 14 HYP CA C 8.816 0.422 1.996 1.00 . A A . 14 HYP CA 1 1
5 1117 1 1 14 HYP CB C 8.757 -0.564 3.180 1.00 . A A . 14 HYP CB 1 1
5 1118 1 1 14 HYP CD C 6.473 0.090 2.602 1.00 . A A . 14 HYP CD 1 1
5 1119 1 1 14 HYP CG C 7.286 -0.909 3.423 1.00 . A A . 14 HYP CG 1 1
5 1120 1 1 14 HYP HA H 9.428 1.284 2.329 1.00 . A A . 14 HYP HA 1 1
5 1121 1 1 14 HYP HB2 H 9.334 -1.490 2.993 1.00 . A A . 14 HYP HB2 1 1
5 1122 1 1 14 HYP HB3 H 9.205 -0.103 4.080 1.00 . A A . 14 HYP HB3 1 1
5 1123 1 1 14 HYP HD1 H 7.201 0.095 5.055 1.00 . A A . 14 HYP HD1 1 1
5 1124 1 1 14 HYP HD22 H 5.799 -0.437 1.921 1.00 . A A . 14 HYP HD22 1 1
5 1125 1 1 14 HYP HD23 H 5.846 0.703 3.250 1.00 . A A . 14 HYP HD23 1 1
5 1126 1 1 14 HYP HG H 7.070 -1.941 3.085 1.00 . A A . 14 HYP HG 1 1
5 1127 1 1 14 HYP N N 7.421 0.904 1.833 1.00 . A A . 14 HYP N 1 1
5 1128 1 1 14 HYP O O 10.736 0.031 0.637 1.00 . A A . 14 HYP O 1 1
5 1129 1 1 14 HYP OD1 O 6.970 -0.803 4.807 1.00 . A A . 14 HYP OD1 1 1
5 1130 1 1 15 ABA C C 10.128 -0.572 -2.317 1.00 . A A . 15 AIB C 1 1
5 1131 1 1 15 ABA CA C 9.476 -1.627 -1.324 1.00 . A A . 15 AIB CA 1 1
5 1132 1 1 15 ABA N N 8.857 -1.002 -0.109 1.00 . A A . 15 AIB N 1 1
5 1133 1 1 15 ABA O O 11.283 -0.784 -2.712 1.00 . A A . 15 AIB O 1 1
5 1134 1 1 16 PRO C C 11.199 2.554 -2.303 1.00 . A A . 16 PRO C 1 1
5 1135 1 1 16 PRO CA C 10.287 1.743 -3.269 1.00 . A A . 16 PRO CA 1 1
5 1136 1 1 16 PRO CB C 9.196 2.596 -3.939 1.00 . A A . 16 PRO CB 1 1
5 1137 1 1 16 PRO CD C 8.102 0.922 -2.514 1.00 . A A . 16 PRO CD 1 1
5 1138 1 1 16 PRO CG C 7.904 2.287 -3.184 1.00 . A A . 16 PRO CG 1 1
5 1139 1 1 16 PRO HA H 10.958 1.361 -4.042 1.00 . A A . 16 PRO HA 1 1
5 1140 1 1 16 PRO HB2 H 9.421 3.679 -3.939 1.00 . A A . 16 PRO HB2 1 1
5 1141 1 1 16 PRO HB3 H 9.083 2.309 -5.003 1.00 . A A . 16 PRO HB3 1 1
5 1142 1 1 16 PRO HD2 H 7.844 0.992 -1.449 1.00 . A A . 16 PRO HD2 1 1
5 1143 1 1 16 PRO HD3 H 7.443 0.143 -2.922 1.00 . A A . 16 PRO HD3 1 1
5 1144 1 1 16 PRO HG2 H 7.732 3.059 -2.412 1.00 . A A . 16 PRO HG2 1 1
5 1145 1 1 16 PRO HG3 H 7.024 2.306 -3.853 1.00 . A A . 16 PRO HG3 1 1
5 1146 1 1 16 PRO N N 9.526 0.599 -2.704 1.00 . A A . 16 PRO N 1 1
5 1147 1 1 16 PRO O O 12.195 3.109 -2.777 1.00 . A A . 16 PRO O 1 1
5 1148 1 1 17 PHL C C 11.998 3.046 1.198 1.00 . A A . 17 PHL C 1 1
5 1149 1 1 17 PHL CA C 11.474 3.676 -0.108 1.00 . A A . 17 PHL CA 1 1
5 1150 1 1 17 PHL CB C 10.454 4.810 0.181 1.00 . A A . 17 PHL CB 1 1
5 1151 1 1 17 PHL CD1 C 10.897 6.267 -1.875 1.00 . A A . 17 PHL CD1 1 1
5 1152 1 1 17 PHL CD2 C 8.611 5.700 -1.349 1.00 . A A . 17 PHL CD2 1 1
5 1153 1 1 17 PHL CE1 C 10.467 6.943 -3.014 1.00 . A A . 17 PHL CE1 1 1
5 1154 1 1 17 PHL CE2 C 8.181 6.382 -2.485 1.00 . A A . 17 PHL CE2 1 1
5 1155 1 1 17 PHL CG C 9.973 5.633 -1.038 1.00 . A A . 17 PHL CG 1 1
5 1156 1 1 17 PHL CZ C 9.110 7.004 -3.315 1.00 . A A . 17 PHL CZ 1 1
5 1157 1 1 17 PHL H2 H 9.983 2.160 -0.771 1.00 . A A . 17 PHL H2 1 1
5 1158 1 1 17 PHL HA H 12.358 4.148 -0.580 1.00 . A A . 17 PHL HA 1 1
5 1159 1 1 17 PHL HB2 H 9.594 4.356 0.707 1.00 . A A . 17 PHL HB2 1 1
5 1160 1 1 17 PHL HB3 H 10.894 5.512 0.910 1.00 . A A . 17 PHL HB3 1 1
5 1161 1 1 17 PHL HC1 H 11.185 2.578 1.781 1.00 . A A . 17 PHL HC1 1 1
5 1162 1 1 17 PHL HC2 H 12.420 3.837 1.848 1.00 . A A . 17 PHL HC2 1 1
5 1163 1 1 17 PHL HD1 H 11.955 6.205 -1.668 1.00 . A A . 17 PHL HD1 1 1
5 1164 1 1 17 PHL HD2 H 7.882 5.207 -0.725 1.00 . A A . 17 PHL HD2 1 1
5 1165 1 1 17 PHL HE1 H 11.190 7.409 -3.667 1.00 . A A . 17 PHL HE1 1 1
5 1166 1 1 17 PHL HE2 H 7.128 6.423 -2.726 1.00 . A A . 17 PHL HE2 1 1
5 1167 1 1 17 PHL HO H 13.674 2.212 1.635 1.00 . A A . 17 PHL HO 1 1
5 1168 1 1 17 PHL HZ H 8.779 7.534 -4.196 1.00 . A A . 17 PHL HZ 1 1
5 1169 1 1 17 PHL N N 10.853 2.665 -1.007 1.00 . A A . 17 PHL N 1 1
5 1170 1 1 17 PHL O O 13.021 2.092 0.940 1.00 . A A . 17 PHL O 1 1
6 1171 1 1 1 ACE C C -11.682 -1.803 -1.052 1.00 . A A . 1 ACE C 1 1
6 1172 1 1 1 ACE CH3 C -12.607 -3.014 -1.049 1.00 . A A . 1 ACE CH3 1 1
6 1173 1 1 1 ACE H1 H -13.664 -2.742 -1.225 1.00 . A A . 1 ACE H1 1 1
6 1174 1 1 1 ACE H2 H -12.314 -3.734 -1.834 1.00 . A A . 1 ACE H2 1 1
6 1175 1 1 1 ACE H3 H -12.551 -3.547 -0.081 1.00 . A A . 1 ACE H3 1 1
6 1176 1 1 1 ACE O O -10.580 -1.874 -1.598 1.00 . A A . 1 ACE O 1 1
6 1177 1 1 2 TRP C C -10.170 0.186 1.006 1.00 . A A . 2 TRP C 1 1
6 1178 1 1 2 TRP CA C -11.238 0.454 -0.099 1.00 . A A . 2 TRP CA 1 1
6 1179 1 1 2 TRP CB C -12.057 1.745 0.213 1.00 . A A . 2 TRP CB 1 1
6 1180 1 1 2 TRP CD1 C -11.425 3.063 -1.993 1.00 . A A . 2 TRP CD1 1 1
6 1181 1 1 2 TRP CD2 C -13.376 3.609 -1.074 1.00 . A A . 2 TRP CD2 1 1
6 1182 1 1 2 TRP CE2 C -13.098 4.476 -2.164 1.00 . A A . 2 TRP CE2 1 1
6 1183 1 1 2 TRP CE3 C -14.518 3.827 -0.262 1.00 . A A . 2 TRP CE3 1 1
6 1184 1 1 2 TRP CG C -12.325 2.712 -0.956 1.00 . A A . 2 TRP CG 1 1
6 1185 1 1 2 TRP CH2 C -15.064 5.776 -1.618 1.00 . A A . 2 TRP CH2 1 1
6 1186 1 1 2 TRP CZ2 C -13.946 5.580 -2.427 1.00 . A A . 2 TRP CZ2 1 1
6 1187 1 1 2 TRP CZ3 C -15.350 4.908 -0.554 1.00 . A A . 2 TRP CZ3 1 1
6 1188 1 1 2 TRP H H -13.072 -0.790 -0.022 1.00 . A A . 2 TRP H 1 1
6 1189 1 1 2 TRP HA H -10.647 0.646 -1.014 1.00 . A A . 2 TRP HA 1 1
6 1190 1 1 2 TRP HB2 H -13.007 1.480 0.716 1.00 . A A . 2 TRP HB2 1 1
6 1191 1 1 2 TRP HB3 H -11.535 2.351 0.978 1.00 . A A . 2 TRP HB3 1 1
6 1192 1 1 2 TRP HD1 H -10.449 2.621 -2.136 1.00 . A A . 2 TRP HD1 1 1
6 1193 1 1 2 TRP HE1 H -11.411 4.635 -3.518 1.00 . A A . 2 TRP HE1 1 1
6 1194 1 1 2 TRP HE3 H -14.737 3.184 0.579 1.00 . A A . 2 TRP HE3 1 1
6 1195 1 1 2 TRP HH2 H -15.711 6.620 -1.801 1.00 . A A . 2 TRP HH2 1 1
6 1196 1 1 2 TRP HZ2 H -13.720 6.276 -3.224 1.00 . A A . 2 TRP HZ2 1 1
6 1197 1 1 2 TRP HZ3 H -16.217 5.092 0.062 1.00 . A A . 2 TRP HZ3 1 1
6 1198 1 1 2 TRP N N -12.122 -0.713 -0.401 1.00 . A A . 2 TRP N 1 1
6 1199 1 1 2 TRP NE1 N -11.899 4.137 -2.766 1.00 . A A . 2 TRP NE1 1 1
6 1200 1 1 2 TRP O O -9.017 0.585 0.820 1.00 . A A . 2 TRP O 1 1
6 1201 1 1 3 ILE C C -8.528 -2.075 2.587 1.00 . A A . 3 ILE C 1 1
6 1202 1 1 3 ILE CA C -9.507 -0.973 3.118 1.00 . A A . 3 ILE CA 1 1
6 1203 1 1 3 ILE CB C -10.133 -1.308 4.523 1.00 . A A . 3 ILE CB 1 1
6 1204 1 1 3 ILE CD1 C -10.622 -3.852 4.887 1.00 . A A . 3 ILE CD1 1 1
6 1205 1 1 3 ILE CG1 C -11.187 -2.463 4.554 1.00 . A A . 3 ILE CG1 1 1
6 1206 1 1 3 ILE CG2 C -10.709 -0.044 5.208 1.00 . A A . 3 ILE CG2 1 1
6 1207 1 1 3 ILE H H -11.499 -0.792 2.159 1.00 . A A . 3 ILE H 1 1
6 1208 1 1 3 ILE HA H -8.834 -0.109 3.281 1.00 . A A . 3 ILE HA 1 1
6 1209 1 1 3 ILE HB H -9.292 -1.602 5.183 1.00 . A A . 3 ILE HB 1 1
6 1210 1 1 3 ILE HD11 H -10.203 -3.882 5.910 1.00 . A A . 3 ILE HD11 1 1
6 1211 1 1 3 ILE HD12 H -11.415 -4.622 4.840 1.00 . A A . 3 ILE HD12 1 1
6 1212 1 1 3 ILE HD13 H -9.823 -4.166 4.192 1.00 . A A . 3 ILE HD13 1 1
6 1213 1 1 3 ILE HG12 H -11.976 -2.262 5.303 1.00 . A A . 3 ILE HG12 1 1
6 1214 1 1 3 ILE HG13 H -11.732 -2.513 3.594 1.00 . A A . 3 ILE HG13 1 1
6 1215 1 1 3 ILE HG21 H -11.600 0.347 4.680 1.00 . A A . 3 ILE HG21 1 1
6 1216 1 1 3 ILE HG22 H -11.015 -0.248 6.252 1.00 . A A . 3 ILE HG22 1 1
6 1217 1 1 3 ILE HG23 H -9.969 0.777 5.251 1.00 . A A . 3 ILE HG23 1 1
6 1218 1 1 3 ILE N N -10.517 -0.490 2.122 1.00 . A A . 3 ILE N 1 1
6 1219 1 1 3 ILE O O -7.339 -2.012 2.901 1.00 . A A . 3 ILE O 1 1
6 1220 1 1 4 GLN C C -7.127 -3.137 -0.024 1.00 . A A . 4 GLN C 1 1
6 1221 1 1 4 GLN CA C -8.128 -3.889 0.902 1.00 . A A . 4 GLN CA 1 1
6 1222 1 1 4 GLN CB C -9.018 -4.878 0.088 1.00 . A A . 4 GLN CB 1 1
6 1223 1 1 4 GLN CD C -7.955 -7.231 0.211 1.00 . A A . 4 GLN CD 1 1
6 1224 1 1 4 GLN CG C -9.118 -6.317 0.647 1.00 . A A . 4 GLN CG 1 1
6 1225 1 1 4 GLN H H -10.002 -2.956 1.564 1.00 . A A . 4 GLN H 1 1
6 1226 1 1 4 GLN HA H -7.496 -4.473 1.597 1.00 . A A . 4 GLN HA 1 1
6 1227 1 1 4 GLN HB2 H -10.047 -4.484 -0.018 1.00 . A A . 4 GLN HB2 1 1
6 1228 1 1 4 GLN HB3 H -8.686 -4.945 -0.965 1.00 . A A . 4 GLN HB3 1 1
6 1229 1 1 4 GLN HE21 H -7.291 -7.403 2.102 1.00 . A A . 4 GLN HE21 1 1
6 1230 1 1 4 GLN HE22 H -6.355 -8.279 0.793 1.00 . A A . 4 GLN HE22 1 1
6 1231 1 1 4 GLN HG2 H -9.245 -6.297 1.749 1.00 . A A . 4 GLN HG2 1 1
6 1232 1 1 4 GLN HG3 H -10.051 -6.777 0.270 1.00 . A A . 4 GLN HG3 1 1
6 1233 1 1 4 GLN N N -8.996 -3.018 1.742 1.00 . A A . 4 GLN N 1 1
6 1234 1 1 4 GLN NE2 N -7.100 -7.658 1.126 1.00 . A A . 4 GLN NE2 1 1
6 1235 1 1 4 GLN O O -5.962 -3.533 -0.051 1.00 . A A . 4 GLN O 1 1
6 1236 1 1 4 GLN OE1 O -7.822 -7.574 -0.964 1.00 . A A . 4 GLN OE1 1 1
6 1237 1 1 5 . C C -5.504 -0.548 -0.883 1.00 . A A . 5 DIV C 1 1
6 1238 1 1 5 . CA C -6.697 -1.251 -1.660 1.00 . A A . 5 DIV CA 1 1
6 1239 1 1 5 . CB1 C -6.188 -2.153 -2.834 1.00 . A A . 5 DIV CB1 1 1
6 1240 1 1 5 . CB2 C -7.603 -0.121 -2.245 1.00 . A A . 5 DIV CB2 1 1
6 1241 1 1 5 . CG1 C -7.171 -2.700 -3.889 1.00 . A A . 5 DIV CG1 1 1
6 1242 1 1 5 . H2 H -8.511 -1.781 -0.597 1.00 . A A . 5 DIV H2 1 1
6 1243 1 1 5 . HB11 H -5.421 -1.576 -3.343 1.00 . A A . 5 DIV HB11 1 1
6 1244 1 1 5 . HB12 H -5.626 -3.014 -2.437 1.00 . A A . 5 DIV HB12 1 1
6 1245 1 1 5 . HB21 H -7.992 0.563 -1.470 1.00 . A A . 5 DIV HB21 1 1
6 1246 1 1 5 . HB22 H -7.056 0.512 -2.970 1.00 . A A . 5 DIV HB22 1 1
6 1247 1 1 5 . HB23 H -8.493 -0.509 -2.775 1.00 . A A . 5 DIV HB23 1 1
6 1248 1 1 5 . HG11 H -7.642 -1.890 -4.475 1.00 . A A . 5 DIV HG11 1 1
6 1249 1 1 5 . HG12 H -6.646 -3.350 -4.612 1.00 . A A . 5 DIV HG12 1 1
6 1250 1 1 5 . HG13 H -7.979 -3.298 -3.428 1.00 . A A . 5 DIV HG13 1 1
6 1251 1 1 5 . N N -7.556 -2.083 -0.765 1.00 . A A . 5 DIV N 1 1
6 1252 1 1 5 . O O -4.339 -0.646 -1.284 1.00 . A A . 5 DIV O 1 1
6 1253 1 1 6 ILE C C -3.838 -0.378 1.839 1.00 . A A . 6 ILE C 1 1
6 1254 1 1 6 ILE CA C -4.761 0.714 1.168 1.00 . A A . 6 ILE CA 1 1
6 1255 1 1 6 ILE CB C -5.452 1.692 2.193 1.00 . A A . 6 ILE CB 1 1
6 1256 1 1 6 ILE CD1 C -7.446 3.350 2.367 1.00 . A A . 6 ILE CD1 1 1
6 1257 1 1 6 ILE CG1 C -6.249 2.866 1.531 1.00 . A A . 6 ILE CG1 1 1
6 1258 1 1 6 ILE CG2 C -4.479 2.323 3.228 1.00 . A A . 6 ILE CG2 1 1
6 1259 1 1 6 ILE H H -6.792 0.141 0.495 1.00 . A A . 6 ILE H 1 1
6 1260 1 1 6 ILE HA H -4.089 1.334 0.542 1.00 . A A . 6 ILE HA 1 1
6 1261 1 1 6 ILE HB H -6.168 1.077 2.772 1.00 . A A . 6 ILE HB 1 1
6 1262 1 1 6 ILE HD11 H -7.140 3.706 3.367 1.00 . A A . 6 ILE HD11 1 1
6 1263 1 1 6 ILE HD12 H -7.973 4.185 1.871 1.00 . A A . 6 ILE HD12 1 1
6 1264 1 1 6 ILE HD13 H -8.181 2.539 2.517 1.00 . A A . 6 ILE HD13 1 1
6 1265 1 1 6 ILE HG12 H -5.580 3.721 1.308 1.00 . A A . 6 ILE HG12 1 1
6 1266 1 1 6 ILE HG13 H -6.645 2.576 0.540 1.00 . A A . 6 ILE HG13 1 1
6 1267 1 1 6 ILE HG21 H -3.668 2.894 2.739 1.00 . A A . 6 ILE HG21 1 1
6 1268 1 1 6 ILE HG22 H -4.996 3.023 3.912 1.00 . A A . 6 ILE HG22 1 1
6 1269 1 1 6 ILE HG23 H -4.005 1.562 3.874 1.00 . A A . 6 ILE HG23 1 1
6 1270 1 1 6 ILE N N -5.795 0.131 0.253 1.00 . A A . 6 ILE N 1 1
6 1271 1 1 6 ILE O O -2.667 -0.087 2.087 1.00 . A A . 6 ILE O 1 1
6 1272 1 1 7 THR C C -2.542 -3.345 1.501 1.00 . A A . 7 THR C 1 1
6 1273 1 1 7 THR CA C -3.524 -2.768 2.566 1.00 . A A . 7 THR CA 1 1
6 1274 1 1 7 THR CB C -4.450 -3.823 3.244 1.00 . A A . 7 THR CB 1 1
6 1275 1 1 7 THR CG2 C -3.741 -5.065 3.818 1.00 . A A . 7 THR CG2 1 1
6 1276 1 1 7 THR H H -5.328 -1.712 1.854 1.00 . A A . 7 THR H 1 1
6 1277 1 1 7 THR HA H -2.875 -2.385 3.367 1.00 . A A . 7 THR HA 1 1
6 1278 1 1 7 THR HB H -5.203 -4.173 2.514 1.00 . A A . 7 THR HB 1 1
6 1279 1 1 7 THR HG1 H -5.470 -2.378 3.993 1.00 . A A . 7 THR HG1 1 1
6 1280 1 1 7 THR HG21 H -4.450 -5.724 4.353 1.00 . A A . 7 THR HG21 1 1
6 1281 1 1 7 THR HG22 H -3.277 -5.676 3.021 1.00 . A A . 7 THR HG22 1 1
6 1282 1 1 7 THR HG23 H -2.943 -4.790 4.533 1.00 . A A . 7 THR HG23 1 1
6 1283 1 1 7 THR N N -4.338 -1.610 2.095 1.00 . A A . 7 THR N 1 1
6 1284 1 1 7 THR O O -1.381 -3.533 1.860 1.00 . A A . 7 THR O 1 1
6 1285 1 1 7 THR OG1 O -5.140 -3.214 4.332 1.00 . A A . 7 THR OG1 1 1
6 1286 1 1 8 ABA C C -0.866 -2.768 -1.109 1.00 . A A . 8 AIB C 1 1
6 1287 1 1 8 ABA CA C -1.988 -3.870 -0.907 1.00 . A A . 8 AIB CA 1 1
6 1288 1 1 8 ABA N N -2.944 -3.587 0.229 1.00 . A A . 8 AIB N 1 1
6 1289 1 1 8 ABA O O 0.300 -3.074 -1.372 1.00 . A A . 8 AIB O 1 1
6 1290 1 1 9 LEU C C 0.562 -0.080 0.259 1.00 . A A . 9 LEU C 1 1
6 1291 1 1 9 LEU CA C -0.312 -0.326 -1.019 1.00 . A A . 9 LEU CA 1 1
6 1292 1 1 9 LEU CB C -1.145 0.923 -1.427 1.00 . A A . 9 LEU CB 1 1
6 1293 1 1 9 LEU CD1 C -2.792 1.920 -3.136 1.00 . A A . 9 LEU CD1 1 1
6 1294 1 1 9 LEU CD2 C -0.441 1.360 -3.860 1.00 . A A . 9 LEU CD2 1 1
6 1295 1 1 9 LEU CG C -1.599 0.970 -2.919 1.00 . A A . 9 LEU CG 1 1
6 1296 1 1 9 LEU H H -2.226 -1.358 -0.692 1.00 . A A . 9 LEU H 1 1
6 1297 1 1 9 LEU HA H 0.411 -0.495 -1.838 1.00 . A A . 9 LEU HA 1 1
6 1298 1 1 9 LEU HB2 H -2.022 0.999 -0.756 1.00 . A A . 9 LEU HB2 1 1
6 1299 1 1 9 LEU HB3 H -0.563 1.837 -1.214 1.00 . A A . 9 LEU HB3 1 1
6 1300 1 1 9 LEU HD11 H -2.555 2.962 -2.848 1.00 . A A . 9 LEU HD11 1 1
6 1301 1 1 9 LEU HD12 H -3.109 1.936 -4.197 1.00 . A A . 9 LEU HD12 1 1
6 1302 1 1 9 LEU HD13 H -3.678 1.610 -2.551 1.00 . A A . 9 LEU HD13 1 1
6 1303 1 1 9 LEU HD21 H 0.415 0.668 -3.775 1.00 . A A . 9 LEU HD21 1 1
6 1304 1 1 9 LEU HD22 H -0.750 1.349 -4.922 1.00 . A A . 9 LEU HD22 1 1
6 1305 1 1 9 LEU HD23 H -0.058 2.374 -3.638 1.00 . A A . 9 LEU HD23 1 1
6 1306 1 1 9 LEU HG H -1.949 -0.034 -3.217 1.00 . A A . 9 LEU HG 1 1
6 1307 1 1 9 LEU N N -1.246 -1.481 -0.968 1.00 . A A . 9 LEU N 1 1
6 1308 1 1 9 LEU O O 1.548 0.652 0.140 1.00 . A A . 9 LEU O 1 1
6 1309 1 1 10 ABA C C 2.541 -1.198 2.486 1.00 . A A . 10 AIB C 1 1
6 1310 1 1 10 ABA CA C 1.078 -0.604 2.696 1.00 . A A . 10 AIB CA 1 1
6 1311 1 1 10 ABA N N 0.249 -0.672 1.446 1.00 . A A . 10 AIB N 1 1
6 1312 1 1 10 ABA O O 3.490 -0.451 2.735 1.00 . A A . 10 AIB O 1 1
6 1313 1 1 11 HYP C C 4.743 -2.112 0.203 1.00 . A A . 11 HYP C 1 1
6 1314 1 1 11 HYP CA C 4.178 -2.836 1.473 1.00 . A A . 11 HYP CA 1 1
6 1315 1 1 11 HYP CB C 4.045 -4.358 1.277 1.00 . A A . 11 HYP CB 1 1
6 1316 1 1 11 HYP CD C 1.857 -3.546 1.851 1.00 . A A . 11 HYP CD 1 1
6 1317 1 1 11 HYP CG C 2.562 -4.607 1.007 1.00 . A A . 11 HYP CG 1 1
6 1318 1 1 11 HYP HA H 4.909 -2.673 2.285 1.00 . A A . 11 HYP HA 1 1
6 1319 1 1 11 HYP HB2 H 4.687 -4.762 0.471 1.00 . A A . 11 HYP HB2 1 1
6 1320 1 1 11 HYP HB3 H 4.352 -4.884 2.200 1.00 . A A . 11 HYP HB3 1 1
6 1321 1 1 11 HYP HD1 H 1.214 -5.883 1.515 1.00 . A A . 11 HYP HD1 1 1
6 1322 1 1 11 HYP HD22 H 0.927 -3.237 1.356 1.00 . A A . 11 HYP HD22 1 1
6 1323 1 1 11 HYP HD23 H 1.612 -3.938 2.859 1.00 . A A . 11 HYP HD23 1 1
6 1324 1 1 11 HYP HG H 2.340 -4.454 -0.068 1.00 . A A . 11 HYP HG 1 1
6 1325 1 1 11 HYP N N 2.824 -2.444 1.969 1.00 . A A . 11 HYP N 1 1
6 1326 1 1 11 HYP O O 5.930 -2.311 -0.087 1.00 . A A . 11 HYP O 1 1
6 1327 1 1 11 HYP OD1 O 2.167 -5.914 1.405 1.00 . A A . 11 HYP OD1 1 1
6 1328 1 1 12 GLN C C 4.823 1.144 -1.012 1.00 . A A . 12 GLN C 1 1
6 1329 1 1 12 GLN CA C 4.522 -0.304 -1.516 1.00 . A A . 12 GLN CA 1 1
6 1330 1 1 12 GLN CB C 3.585 -0.259 -2.753 1.00 . A A . 12 GLN CB 1 1
6 1331 1 1 12 GLN CD C 2.503 -1.491 -4.733 1.00 . A A . 12 GLN CD 1 1
6 1332 1 1 12 GLN CG C 3.249 -1.621 -3.390 1.00 . A A . 12 GLN CG 1 1
6 1333 1 1 12 GLN H H 3.044 -1.055 -0.119 1.00 . A A . 12 GLN H 1 1
6 1334 1 1 12 GLN HA H 5.504 -0.684 -1.843 1.00 . A A . 12 GLN HA 1 1
6 1335 1 1 12 GLN HB2 H 2.644 0.261 -2.500 1.00 . A A . 12 GLN HB2 1 1
6 1336 1 1 12 GLN HB3 H 4.063 0.376 -3.518 1.00 . A A . 12 GLN HB3 1 1
6 1337 1 1 12 GLN HE21 H 0.943 -2.526 -4.014 1.00 . A A . 12 GLN HE21 1 1
6 1338 1 1 12 GLN HE22 H 0.865 -1.963 -5.762 1.00 . A A . 12 GLN HE22 1 1
6 1339 1 1 12 GLN HG2 H 4.182 -2.193 -3.544 1.00 . A A . 12 GLN HG2 1 1
6 1340 1 1 12 GLN HG3 H 2.661 -2.200 -2.646 1.00 . A A . 12 GLN HG3 1 1
6 1341 1 1 12 GLN N N 3.977 -1.240 -0.491 1.00 . A A . 12 GLN N 1 1
6 1342 1 1 12 GLN NE2 N 1.308 -2.043 -4.840 1.00 . A A . 12 GLN NE2 1 1
6 1343 1 1 12 GLN O O 5.069 2.009 -1.855 1.00 . A A . 12 GLN O 1 1
6 1344 1 1 12 GLN OE1 O 2.991 -0.893 -5.689 1.00 . A A . 12 GLN OE1 1 1
6 1345 1 1 13 ABA C C 7.211 1.873 1.118 1.00 . A A . 13 AIB C 1 1
6 1346 1 1 13 ABA CA C 5.718 2.445 0.978 1.00 . A A . 13 AIB CA 1 1
6 1347 1 1 13 ABA N N 4.870 1.402 0.316 1.00 . A A . 13 AIB N 1 1
6 1348 1 1 13 ABA O O 8.121 2.434 0.488 1.00 . A A . 13 AIB O 1 1
6 1349 1 1 14 HYP C C 9.588 -0.354 0.634 1.00 . A A . 14 HYP C 1 1
6 1350 1 1 14 HYP CA C 8.934 0.217 1.928 1.00 . A A . 14 HYP CA 1 1
6 1351 1 1 14 HYP CB C 8.879 -0.838 3.053 1.00 . A A . 14 HYP CB 1 1
6 1352 1 1 14 HYP CD C 6.608 -0.081 2.593 1.00 . A A . 14 HYP CD 1 1
6 1353 1 1 14 HYP CG C 7.408 -1.168 3.309 1.00 . A A . 14 HYP CG 1 1
6 1354 1 1 14 HYP HA H 9.584 1.036 2.290 1.00 . A A . 14 HYP HA 1 1
6 1355 1 1 14 HYP HB2 H 9.435 -1.761 2.795 1.00 . A A . 14 HYP HB2 1 1
6 1356 1 1 14 HYP HB3 H 9.357 -0.439 3.970 1.00 . A A . 14 HYP HB3 1 1
6 1357 1 1 14 HYP HD1 H 7.389 -0.308 5.027 1.00 . A A . 14 HYP HD1 1 1
6 1358 1 1 14 HYP HD22 H 5.887 -0.538 1.908 1.00 . A A . 14 HYP HD22 1 1
6 1359 1 1 14 HYP HD23 H 6.032 0.508 3.308 1.00 . A A . 14 HYP HD23 1 1
6 1360 1 1 14 HYP HG H 7.163 -2.161 2.891 1.00 . A A . 14 HYP HG 1 1
6 1361 1 1 14 HYP N N 7.553 0.752 1.843 1.00 . A A . 14 HYP N 1 1
6 1362 1 1 14 HYP O O 10.794 -0.153 0.482 1.00 . A A . 14 HYP O 1 1
6 1363 1 1 14 HYP OD1 O 7.127 -1.174 4.705 1.00 . A A . 14 HYP OD1 1 1
6 1364 1 1 15 ABA C C 10.048 -0.549 -2.499 1.00 . A A . 15 AIB C 1 1
6 1365 1 1 15 ABA CA C 9.430 -1.647 -1.528 1.00 . A A . 15 AIB CA 1 1
6 1366 1 1 15 ABA N N 8.860 -1.075 -0.263 1.00 . A A . 15 AIB N 1 1
6 1367 1 1 15 ABA O O 11.195 -0.740 -2.925 1.00 . A A . 15 AIB O 1 1
6 1368 1 1 16 PRO C C 11.152 2.538 -2.454 1.00 . A A . 16 PRO C 1 1
6 1369 1 1 16 PRO CA C 10.172 1.790 -3.401 1.00 . A A . 16 PRO CA 1 1
6 1370 1 1 16 PRO CB C 9.062 2.687 -3.978 1.00 . A A . 16 PRO CB 1 1
6 1371 1 1 16 PRO CD C 8.026 0.968 -2.557 1.00 . A A . 16 PRO CD 1 1
6 1372 1 1 16 PRO CG C 7.814 2.364 -3.161 1.00 . A A . 16 PRO CG 1 1
6 1373 1 1 16 PRO HA H 10.792 1.427 -4.224 1.00 . A A . 16 PRO HA 1 1
6 1374 1 1 16 PRO HB2 H 9.306 3.765 -3.947 1.00 . A A . 16 PRO HB2 1 1
6 1375 1 1 16 PRO HB3 H 8.886 2.445 -5.042 1.00 . A A . 16 PRO HB3 1 1
6 1376 1 1 16 PRO HD2 H 7.831 1.001 -1.477 1.00 . A A . 16 PRO HD2 1 1
6 1377 1 1 16 PRO HD3 H 7.333 0.213 -2.960 1.00 . A A . 16 PRO HD3 1 1
6 1378 1 1 16 PRO HG2 H 7.702 3.107 -2.350 1.00 . A A . 16 PRO HG2 1 1
6 1379 1 1 16 PRO HG3 H 6.897 2.427 -3.776 1.00 . A A . 16 PRO HG3 1 1
6 1380 1 1 16 PRO N N 9.429 0.630 -2.841 1.00 . A A . 16 PRO N 1 1
6 1381 1 1 16 PRO O O 12.111 3.128 -2.964 1.00 . A A . 16 PRO O 1 1
6 1382 1 1 17 PHL C C 12.215 2.631 1.011 1.00 . A A . 17 PHL C 1 1
6 1383 1 1 17 PHL CA C 11.667 3.426 -0.193 1.00 . A A . 17 PHL CA 1 1
6 1384 1 1 17 PHL CB C 10.752 4.588 0.276 1.00 . A A . 17 PHL CB 1 1
6 1385 1 1 17 PHL CD1 C 11.111 6.253 -1.638 1.00 . A A . 17 PHL CD1 1 1
6 1386 1 1 17 PHL CD2 C 8.851 5.611 -1.078 1.00 . A A . 17 PHL CD2 1 1
6 1387 1 1 17 PHL CE1 C 10.629 7.045 -2.674 1.00 . A A . 17 PHL CE1 1 1
6 1388 1 1 17 PHL CE2 C 8.369 6.407 -2.113 1.00 . A A . 17 PHL CE2 1 1
6 1389 1 1 17 PHL CG C 10.224 5.529 -0.829 1.00 . A A . 17 PHL CG 1 1
6 1390 1 1 17 PHL CZ C 9.256 7.128 -2.906 1.00 . A A . 17 PHL CZ 1 1
6 1391 1 1 17 PHL H2 H 10.021 2.094 -0.869 1.00 . A A . 17 PHL H2 1 1
6 1392 1 1 17 PHL HA H 12.552 3.877 -0.688 1.00 . A A . 17 PHL HA 1 1
6 1393 1 1 17 PHL HB2 H 9.912 4.145 0.842 1.00 . A A . 17 PHL HB2 1 1
6 1394 1 1 17 PHL HB3 H 11.301 5.204 1.014 1.00 . A A . 17 PHL HB3 1 1
6 1395 1 1 17 PHL HC1 H 11.401 2.150 1.578 1.00 . A A . 17 PHL HC1 1 1
6 1396 1 1 17 PHL HC2 H 12.714 3.315 1.725 1.00 . A A . 17 PHL HC2 1 1
6 1397 1 1 17 PHL HD1 H 12.177 6.166 -1.488 1.00 . A A . 17 PHL HD1 1 1
6 1398 1 1 17 PHL HD2 H 8.156 5.037 -0.484 1.00 . A A . 17 PHL HD2 1 1
6 1399 1 1 17 PHL HE1 H 11.317 7.588 -3.305 1.00 . A A . 17 PHL HE1 1 1
6 1400 1 1 17 PHL HE2 H 7.307 6.456 -2.303 1.00 . A A . 17 PHL HE2 1 1
6 1401 1 1 17 PHL HO H 13.491 1.252 1.405 1.00 . A A . 17 PHL HO 1 1
6 1402 1 1 17 PHL HZ H 8.882 7.749 -3.707 1.00 . A A . 17 PHL HZ 1 1
6 1403 1 1 17 PHL N N 10.911 2.552 -1.131 1.00 . A A . 17 PHL N 1 1
6 1404 1 1 17 PHL O O 13.159 1.651 0.598 1.00 . A A . 17 PHL O 1 1
7 1405 1 1 1 ACE C C -11.467 -1.582 -1.074 1.00 . A A . 1 ACE C 1 1
7 1406 1 1 1 ACE CH3 C -12.440 -2.736 -1.303 1.00 . A A . 1 ACE CH3 1 1
7 1407 1 1 1 ACE H1 H -13.461 -2.382 -1.538 1.00 . A A . 1 ACE H1 1 1
7 1408 1 1 1 ACE H2 H -12.109 -3.366 -2.149 1.00 . A A . 1 ACE H2 1 1
7 1409 1 1 1 ACE H3 H -12.499 -3.389 -0.412 1.00 . A A . 1 ACE H3 1 1
7 1410 1 1 1 ACE O O -10.353 -1.608 -1.598 1.00 . A A . 1 ACE O 1 1
7 1411 1 1 2 TRP C C -9.945 0.248 1.153 1.00 . A A . 2 TRP C 1 1
7 1412 1 1 2 TRP CA C -11.037 0.586 0.096 1.00 . A A . 2 TRP CA 1 1
7 1413 1 1 2 TRP CB C -11.818 1.852 0.576 1.00 . A A . 2 TRP CB 1 1
7 1414 1 1 2 TRP CD1 C -13.569 2.183 -1.370 1.00 . A A . 2 TRP CD1 1 1
7 1415 1 1 2 TRP CD2 C -14.393 2.292 0.697 1.00 . A A . 2 TRP CD2 1 1
7 1416 1 1 2 TRP CE2 C -15.446 2.423 -0.244 1.00 . A A . 2 TRP CE2 1 1
7 1417 1 1 2 TRP CE3 C -14.663 2.330 2.091 1.00 . A A . 2 TRP CE3 1 1
7 1418 1 1 2 TRP CG C -13.212 2.129 -0.004 1.00 . A A . 2 TRP CG 1 1
7 1419 1 1 2 TRP CH2 C -17.026 2.623 1.580 1.00 . A A . 2 TRP CH2 1 1
7 1420 1 1 2 TRP CZ2 C -16.779 2.585 0.205 1.00 . A A . 2 TRP CZ2 1 1
7 1421 1 1 2 TRP CZ3 C -15.984 2.501 2.507 1.00 . A A . 2 TRP CZ3 1 1
7 1422 1 1 2 TRP H H -12.845 -0.705 0.093 1.00 . A A . 2 TRP H 1 1
7 1423 1 1 2 TRP HA H -10.511 0.899 -0.830 1.00 . A A . 2 TRP HA 1 1
7 1424 1 1 2 TRP HB2 H -11.913 1.833 1.679 1.00 . A A . 2 TRP HB2 1 1
7 1425 1 1 2 TRP HB3 H -11.188 2.741 0.382 1.00 . A A . 2 TRP HB3 1 1
7 1426 1 1 2 TRP HD1 H -12.872 2.056 -2.186 1.00 . A A . 2 TRP HD1 1 1
7 1427 1 1 2 TRP HE1 H -15.484 2.382 -2.417 1.00 . A A . 2 TRP HE1 1 1
7 1428 1 1 2 TRP HE3 H -13.872 2.239 2.821 1.00 . A A . 2 TRP HE3 1 1
7 1429 1 1 2 TRP HH2 H -18.037 2.753 1.934 1.00 . A A . 2 TRP HH2 1 1
7 1430 1 1 2 TRP HZ2 H -17.591 2.677 -0.501 1.00 . A A . 2 TRP HZ2 1 1
7 1431 1 1 2 TRP HZ3 H -16.202 2.540 3.565 1.00 . A A . 2 TRP HZ3 1 1
7 1432 1 1 2 TRP N N -11.890 -0.595 -0.265 1.00 . A A . 2 TRP N 1 1
7 1433 1 1 2 TRP NE1 N -14.953 2.357 -1.538 1.00 . A A . 2 TRP NE1 1 1
7 1434 1 1 2 TRP O O -8.785 0.625 0.973 1.00 . A A . 2 TRP O 1 1
7 1435 1 1 3 ILE C C -8.429 -2.100 2.677 1.00 . A A . 3 ILE C 1 1
7 1436 1 1 3 ILE CA C -9.356 -0.980 3.256 1.00 . A A . 3 ILE CA 1 1
7 1437 1 1 3 ILE CB C -10.046 -1.382 4.619 1.00 . A A . 3 ILE CB 1 1
7 1438 1 1 3 ILE CD1 C -12.521 -0.482 4.690 1.00 . A A . 3 ILE CD1 1 1
7 1439 1 1 3 ILE CG1 C -11.080 -0.366 5.215 1.00 . A A . 3 ILE CG1 1 1
7 1440 1 1 3 ILE CG2 C -8.989 -1.669 5.721 1.00 . A A . 3 ILE CG2 1 1
7 1441 1 1 3 ILE H H -11.313 -0.707 2.277 1.00 . A A . 3 ILE H 1 1
7 1442 1 1 3 ILE HA H -8.674 -0.135 3.456 1.00 . A A . 3 ILE HA 1 1
7 1443 1 1 3 ILE HB H -10.578 -2.341 4.456 1.00 . A A . 3 ILE HB 1 1
7 1444 1 1 3 ILE HD11 H -12.929 -1.501 4.833 1.00 . A A . 3 ILE HD11 1 1
7 1445 1 1 3 ILE HD12 H -13.193 0.209 5.232 1.00 . A A . 3 ILE HD12 1 1
7 1446 1 1 3 ILE HD13 H -12.613 -0.234 3.618 1.00 . A A . 3 ILE HD13 1 1
7 1447 1 1 3 ILE HG12 H -11.161 -0.492 6.311 1.00 . A A . 3 ILE HG12 1 1
7 1448 1 1 3 ILE HG13 H -10.716 0.669 5.082 1.00 . A A . 3 ILE HG13 1 1
7 1449 1 1 3 ILE HG21 H -8.384 -0.773 5.958 1.00 . A A . 3 ILE HG21 1 1
7 1450 1 1 3 ILE HG22 H -9.456 -2.012 6.664 1.00 . A A . 3 ILE HG22 1 1
7 1451 1 1 3 ILE HG23 H -8.286 -2.470 5.428 1.00 . A A . 3 ILE HG23 1 1
7 1452 1 1 3 ILE N N -10.317 -0.462 2.244 1.00 . A A . 3 ILE N 1 1
7 1453 1 1 3 ILE O O -7.230 -2.050 2.952 1.00 . A A . 3 ILE O 1 1
7 1454 1 1 4 GLN C C -7.056 -3.254 0.112 1.00 . A A . 4 GLN C 1 1
7 1455 1 1 4 GLN CA C -8.082 -3.962 1.048 1.00 . A A . 4 GLN CA 1 1
7 1456 1 1 4 GLN CB C -8.965 -4.944 0.229 1.00 . A A . 4 GLN CB 1 1
7 1457 1 1 4 GLN CD C -8.597 -6.822 -1.552 1.00 . A A . 4 GLN CD 1 1
7 1458 1 1 4 GLN CG C -8.247 -6.266 -0.159 1.00 . A A . 4 GLN CG 1 1
7 1459 1 1 4 GLN H H -9.947 -2.983 1.699 1.00 . A A . 4 GLN H 1 1
7 1460 1 1 4 GLN HA H -7.498 -4.565 1.770 1.00 . A A . 4 GLN HA 1 1
7 1461 1 1 4 GLN HB2 H -9.875 -5.224 0.797 1.00 . A A . 4 GLN HB2 1 1
7 1462 1 1 4 GLN HB3 H -9.360 -4.427 -0.669 1.00 . A A . 4 GLN HB3 1 1
7 1463 1 1 4 GLN HE21 H -6.692 -7.387 -1.804 1.00 . A A . 4 GLN HE21 1 1
7 1464 1 1 4 GLN HE22 H -7.850 -7.724 -3.187 1.00 . A A . 4 GLN HE22 1 1
7 1465 1 1 4 GLN HG2 H -7.149 -6.144 -0.072 1.00 . A A . 4 GLN HG2 1 1
7 1466 1 1 4 GLN HG3 H -8.488 -7.039 0.597 1.00 . A A . 4 GLN HG3 1 1
7 1467 1 1 4 GLN N N -8.938 -3.053 1.862 1.00 . A A . 4 GLN N 1 1
7 1468 1 1 4 GLN NE2 N -7.611 -7.356 -2.259 1.00 . A A . 4 GLN NE2 1 1
7 1469 1 1 4 GLN O O -5.913 -3.708 0.059 1.00 . A A . 4 GLN O 1 1
7 1470 1 1 4 GLN OE1 O -9.742 -6.801 -2.003 1.00 . A A . 4 GLN OE1 1 1
7 1471 1 1 5 . C C -5.368 -0.715 -0.764 1.00 . A A . 5 DIV C 1 1
7 1472 1 1 5 . CA C -6.577 -1.387 -1.533 1.00 . A A . 5 DIV CA 1 1
7 1473 1 1 5 . CB1 C -6.094 -2.320 -2.691 1.00 . A A . 5 DIV CB1 1 1
7 1474 1 1 5 . CB2 C -7.442 -0.244 -2.147 1.00 . A A . 5 DIV CB2 1 1
7 1475 1 1 5 . CG1 C -7.105 -2.938 -3.678 1.00 . A A . 5 DIV CG1 1 1
7 1476 1 1 5 . H2 H -8.389 -1.840 -0.417 1.00 . A A . 5 DIV H2 1 1
7 1477 1 1 5 . HB11 H -5.362 -1.742 -3.244 1.00 . A A . 5 DIV HB11 1 1
7 1478 1 1 5 . HB12 H -5.503 -3.151 -2.280 1.00 . A A . 5 DIV HB12 1 1
7 1479 1 1 5 . HB21 H -7.874 0.420 -1.377 1.00 . A A . 5 DIV HB21 1 1
7 1480 1 1 5 . HB22 H -6.852 0.402 -2.823 1.00 . A A . 5 DIV HB22 1 1
7 1481 1 1 5 . HB23 H -8.296 -0.617 -2.740 1.00 . A A . 5 DIV HB23 1 1
7 1482 1 1 5 . HG11 H -7.615 -2.167 -4.283 1.00 . A A . 5 DIV HG11 1 1
7 1483 1 1 5 . HG12 H -6.599 -3.617 -4.388 1.00 . A A . 5 DIV HG12 1 1
7 1484 1 1 5 . HG13 H -7.881 -3.530 -3.157 1.00 . A A . 5 DIV HG13 1 1
7 1485 1 1 5 . N N -7.449 -2.177 -0.614 1.00 . A A . 5 DIV N 1 1
7 1486 1 1 5 . O O -4.205 -0.926 -1.116 1.00 . A A . 5 DIV O 1 1
7 1487 1 1 6 ILE C C -3.777 -0.553 2.002 1.00 . A A . 6 ILE C 1 1
7 1488 1 1 6 ILE CA C -4.596 0.568 1.259 1.00 . A A . 6 ILE CA 1 1
7 1489 1 1 6 ILE CB C -5.239 1.656 2.205 1.00 . A A . 6 ILE CB 1 1
7 1490 1 1 6 ILE CD1 C -4.913 3.763 0.638 1.00 . A A . 6 ILE CD1 1 1
7 1491 1 1 6 ILE CG1 C -5.869 2.877 1.458 1.00 . A A . 6 ILE CG1 1 1
7 1492 1 1 6 ILE CG2 C -4.308 2.181 3.332 1.00 . A A . 6 ILE CG2 1 1
7 1493 1 1 6 ILE H H -6.640 0.136 0.527 1.00 . A A . 6 ILE H 1 1
7 1494 1 1 6 ILE HA H -3.846 1.096 0.640 1.00 . A A . 6 ILE HA 1 1
7 1495 1 1 6 ILE HB H -6.077 1.158 2.732 1.00 . A A . 6 ILE HB 1 1
7 1496 1 1 6 ILE HD11 H -4.413 3.198 -0.169 1.00 . A A . 6 ILE HD11 1 1
7 1497 1 1 6 ILE HD12 H -5.455 4.597 0.159 1.00 . A A . 6 ILE HD12 1 1
7 1498 1 1 6 ILE HD13 H -4.122 4.212 1.267 1.00 . A A . 6 ILE HD13 1 1
7 1499 1 1 6 ILE HG12 H -6.671 2.524 0.785 1.00 . A A . 6 ILE HG12 1 1
7 1500 1 1 6 ILE HG13 H -6.401 3.517 2.185 1.00 . A A . 6 ILE HG13 1 1
7 1501 1 1 6 ILE HG21 H -3.364 2.596 2.933 1.00 . A A . 6 ILE HG21 1 1
7 1502 1 1 6 ILE HG22 H -4.788 2.976 3.934 1.00 . A A . 6 ILE HG22 1 1
7 1503 1 1 6 ILE HG23 H -4.036 1.379 4.042 1.00 . A A . 6 ILE HG23 1 1
7 1504 1 1 6 ILE N N -5.640 0.047 0.321 1.00 . A A . 6 ILE N 1 1
7 1505 1 1 6 ILE O O -2.641 -0.277 2.388 1.00 . A A . 6 ILE O 1 1
7 1506 1 1 7 THR C C -2.524 -3.533 1.590 1.00 . A A . 7 THR C 1 1
7 1507 1 1 7 THR CA C -3.522 -2.966 2.646 1.00 . A A . 7 THR CA 1 1
7 1508 1 1 7 THR CB C -4.481 -4.016 3.282 1.00 . A A . 7 THR CB 1 1
7 1509 1 1 7 THR CG2 C -3.812 -5.300 3.804 1.00 . A A . 7 THR CG2 1 1
7 1510 1 1 7 THR H H -5.255 -1.887 1.812 1.00 . A A . 7 THR H 1 1
7 1511 1 1 7 THR HA H -2.884 -2.612 3.465 1.00 . A A . 7 THR HA 1 1
7 1512 1 1 7 THR HB H -5.235 -4.317 2.535 1.00 . A A . 7 THR HB 1 1
7 1513 1 1 7 THR HG1 H -5.553 -2.621 4.059 1.00 . A A . 7 THR HG1 1 1
7 1514 1 1 7 THR HG21 H -4.546 -5.950 4.315 1.00 . A A . 7 THR HG21 1 1
7 1515 1 1 7 THR HG22 H -3.376 -5.898 2.980 1.00 . A A . 7 THR HG22 1 1
7 1516 1 1 7 THR HG23 H -3.000 -5.079 4.522 1.00 . A A . 7 THR HG23 1 1
7 1517 1 1 7 THR N N -4.299 -1.788 2.168 1.00 . A A . 7 THR N 1 1
7 1518 1 1 7 THR O O -1.359 -3.693 1.947 1.00 . A A . 7 THR O 1 1
7 1519 1 1 7 THR OG1 O -5.162 -3.433 4.390 1.00 . A A . 7 THR OG1 1 1
7 1520 1 1 8 ABA C C -0.874 -3.059 -1.072 1.00 . A A . 8 AIB C 1 1
7 1521 1 1 8 ABA CA C -1.982 -4.157 -0.795 1.00 . A A . 8 AIB CA 1 1
7 1522 1 1 8 ABA N N -2.930 -3.822 0.332 1.00 . A A . 8 AIB N 1 1
7 1523 1 1 8 ABA O O 0.288 -3.363 -1.357 1.00 . A A . 8 AIB O 1 1
7 1524 1 1 9 LEU C C 0.465 -0.230 0.179 1.00 . A A . 9 LEU C 1 1
7 1525 1 1 9 LEU CA C -0.343 -0.609 -1.109 1.00 . A A . 9 LEU CA 1 1
7 1526 1 1 9 LEU CB C -1.178 0.580 -1.667 1.00 . A A . 9 LEU CB 1 1
7 1527 1 1 9 LEU CD1 C -2.842 1.251 -3.517 1.00 . A A . 9 LEU CD1 1 1
7 1528 1 1 9 LEU CD2 C -0.393 0.930 -4.090 1.00 . A A . 9 LEU CD2 1 1
7 1529 1 1 9 LEU CG C -1.553 0.477 -3.179 1.00 . A A . 9 LEU CG 1 1
7 1530 1 1 9 LEU H H -2.232 -1.650 -0.677 1.00 . A A . 9 LEU H 1 1
7 1531 1 1 9 LEU HA H 0.419 -0.837 -1.873 1.00 . A A . 9 LEU HA 1 1
7 1532 1 1 9 LEU HB2 H -2.086 0.703 -1.046 1.00 . A A . 9 LEU HB2 1 1
7 1533 1 1 9 LEU HB3 H -0.624 1.522 -1.508 1.00 . A A . 9 LEU HB3 1 1
7 1534 1 1 9 LEU HD11 H -2.757 2.331 -3.293 1.00 . A A . 9 LEU HD11 1 1
7 1535 1 1 9 LEU HD12 H -3.106 1.154 -4.587 1.00 . A A . 9 LEU HD12 1 1
7 1536 1 1 9 LEU HD13 H -3.711 0.866 -2.951 1.00 . A A . 9 LEU HD13 1 1
7 1537 1 1 9 LEU HD21 H 0.534 0.362 -3.890 1.00 . A A . 9 LEU HD21 1 1
7 1538 1 1 9 LEU HD22 H -0.626 0.782 -5.161 1.00 . A A . 9 LEU HD22 1 1
7 1539 1 1 9 LEU HD23 H -0.154 2.001 -3.947 1.00 . A A . 9 LEU HD23 1 1
7 1540 1 1 9 LEU HG H -1.769 -0.580 -3.421 1.00 . A A . 9 LEU HG 1 1
7 1541 1 1 9 LEU N N -1.261 -1.772 -0.983 1.00 . A A . 9 LEU N 1 1
7 1542 1 1 9 LEU O O 1.415 0.546 0.042 1.00 . A A . 9 LEU O 1 1
7 1543 1 1 10 ABA C C 2.440 -1.157 2.476 1.00 . A A . 10 AIB C 1 1
7 1544 1 1 10 ABA CA C 0.959 -0.603 2.642 1.00 . A A . 10 AIB CA 1 1
7 1545 1 1 10 ABA N N 0.146 -0.764 1.391 1.00 . A A . 10 AIB N 1 1
7 1546 1 1 10 ABA O O 3.366 -0.371 2.706 1.00 . A A . 10 AIB O 1 1
7 1547 1 1 11 HYP C C 4.704 -2.126 0.290 1.00 . A A . 11 HYP C 1 1
7 1548 1 1 11 HYP CA C 4.139 -2.798 1.589 1.00 . A A . 11 HYP CA 1 1
7 1549 1 1 11 HYP CB C 4.050 -4.333 1.474 1.00 . A A . 11 HYP CB 1 1
7 1550 1 1 11 HYP CD C 1.827 -3.545 1.897 1.00 . A A . 11 HYP CD 1 1
7 1551 1 1 11 HYP CG C 2.593 -4.613 1.117 1.00 . A A . 11 HYP CG 1 1
7 1552 1 1 11 HYP HA H 4.846 -2.566 2.410 1.00 . A A . 11 HYP HA 1 1
7 1553 1 1 11 HYP HB2 H 4.754 -4.763 0.740 1.00 . A A . 11 HYP HB2 1 1
7 1554 1 1 11 HYP HB3 H 4.293 -4.801 2.445 1.00 . A A . 11 HYP HB3 1 1
7 1555 1 1 11 HYP HD1 H 1.533 -5.801 2.198 1.00 . A A . 11 HYP HD1 1 1
7 1556 1 1 11 HYP HD22 H 0.911 -3.269 1.352 1.00 . A A . 11 HYP HD22 1 1
7 1557 1 1 11 HYP HD23 H 1.542 -3.920 2.898 1.00 . A A . 11 HYP HD23 1 1
7 1558 1 1 11 HYP HG H 2.440 -4.484 0.026 1.00 . A A . 11 HYP HG 1 1
7 1559 1 1 11 HYP N N 2.766 -2.419 2.027 1.00 . A A . 11 HYP N 1 1
7 1560 1 1 11 HYP O O 5.902 -2.291 0.042 1.00 . A A . 11 HYP O 1 1
7 1561 1 1 11 HYP OD1 O 2.191 -5.921 1.511 1.00 . A A . 11 HYP OD1 1 1
7 1562 1 1 12 GLN C C 4.706 1.039 -1.129 1.00 . A A . 12 GLN C 1 1
7 1563 1 1 12 GLN CA C 4.442 -0.446 -1.547 1.00 . A A . 12 GLN CA 1 1
7 1564 1 1 12 GLN CB C 3.512 -0.493 -2.793 1.00 . A A . 12 GLN CB 1 1
7 1565 1 1 12 GLN CD C 2.509 -1.866 -4.735 1.00 . A A . 12 GLN CD 1 1
7 1566 1 1 12 GLN CG C 3.213 -1.894 -3.362 1.00 . A A . 12 GLN CG 1 1
7 1567 1 1 12 GLN H H 2.968 -1.159 -0.133 1.00 . A A . 12 GLN H 1 1
7 1568 1 1 12 GLN HA H 5.433 -0.819 -1.846 1.00 . A A . 12 GLN HA 1 1
7 1569 1 1 12 GLN HB2 H 2.551 0.008 -2.567 1.00 . A A . 12 GLN HB2 1 1
7 1570 1 1 12 GLN HB3 H 3.972 0.120 -3.589 1.00 . A A . 12 GLN HB3 1 1
7 1571 1 1 12 GLN HE21 H 0.953 -2.901 -4.008 1.00 . A A . 12 GLN HE21 1 1
7 1572 1 1 12 GLN HE22 H 0.919 -2.417 -5.787 1.00 . A A . 12 GLN HE22 1 1
7 1573 1 1 12 GLN HG2 H 4.158 -2.463 -3.449 1.00 . A A . 12 GLN HG2 1 1
7 1574 1 1 12 GLN HG3 H 2.609 -2.430 -2.598 1.00 . A A . 12 GLN HG3 1 1
7 1575 1 1 12 GLN N N 3.916 -1.332 -0.477 1.00 . A A . 12 GLN N 1 1
7 1576 1 1 12 GLN NE2 N 1.325 -2.435 -4.845 1.00 . A A . 12 GLN NE2 1 1
7 1577 1 1 12 GLN O O 4.948 1.854 -2.019 1.00 . A A . 12 GLN O 1 1
7 1578 1 1 12 GLN OE1 O 3.029 -1.344 -5.718 1.00 . A A . 12 GLN OE1 1 1
7 1579 1 1 13 ABA C C 7.029 1.993 0.994 1.00 . A A . 13 AIB C 1 1
7 1580 1 1 13 ABA CA C 5.517 2.492 0.794 1.00 . A A . 13 AIB CA 1 1
7 1581 1 1 13 ABA N N 4.732 1.374 0.182 1.00 . A A . 13 AIB N 1 1
7 1582 1 1 13 ABA O O 7.930 2.555 0.346 1.00 . A A . 13 AIB O 1 1
7 1583 1 1 14 HYP C C 9.503 -0.169 0.696 1.00 . A A . 14 HYP C 1 1
7 1584 1 1 14 HYP CA C 8.810 0.469 1.937 1.00 . A A . 14 HYP CA 1 1
7 1585 1 1 14 HYP CB C 8.777 -0.499 3.133 1.00 . A A . 14 HYP CB 1 1
7 1586 1 1 14 HYP CD C 6.477 0.103 2.574 1.00 . A A . 14 HYP CD 1 1
7 1587 1 1 14 HYP CG C 7.315 -0.883 3.385 1.00 . A A . 14 HYP CG 1 1
7 1588 1 1 14 HYP HA H 9.416 1.342 2.244 1.00 . A A . 14 HYP HA 1 1
7 1589 1 1 14 HYP HB2 H 9.381 -1.407 2.965 1.00 . A A . 14 HYP HB2 1 1
7 1590 1 1 14 HYP HB3 H 9.207 -0.005 4.026 1.00 . A A . 14 HYP HB3 1 1
7 1591 1 1 14 HYP HD1 H 7.209 0.113 5.021 1.00 . A A . 14 HYP HD1 1 1
7 1592 1 1 14 HYP HD22 H 5.799 -0.438 1.906 1.00 . A A . 14 HYP HD22 1 1
7 1593 1 1 14 HYP HD23 H 5.852 0.704 3.232 1.00 . A A . 14 HYP HD23 1 1
7 1594 1 1 14 HYP HG H 7.119 -1.916 3.044 1.00 . A A . 14 HYP HG 1 1
7 1595 1 1 14 HYP N N 7.405 0.933 1.792 1.00 . A A . 14 HYP N 1 1
7 1596 1 1 14 HYP O O 10.701 0.062 0.533 1.00 . A A . 14 HYP O 1 1
7 1597 1 1 14 HYP OD1 O 7.010 -0.792 4.773 1.00 . A A . 14 HYP OD1 1 1
7 1598 1 1 15 ABA C C 10.009 -0.560 -2.400 1.00 . A A . 15 AIB C 1 1
7 1599 1 1 15 ABA CA C 9.404 -1.612 -1.372 1.00 . A A . 15 AIB CA 1 1
7 1600 1 1 15 ABA N N 8.808 -0.978 -0.149 1.00 . A A . 15 AIB N 1 1
7 1601 1 1 15 ABA O O 11.169 -0.746 -2.796 1.00 . A A . 15 AIB O 1 1
7 1602 1 1 16 PRO C C 11.012 2.568 -2.532 1.00 . A A . 16 PRO C 1 1
7 1603 1 1 16 PRO CA C 10.078 1.717 -3.444 1.00 . A A . 16 PRO CA 1 1
7 1604 1 1 16 PRO CB C 8.949 2.529 -4.100 1.00 . A A . 16 PRO CB 1 1
7 1605 1 1 16 PRO CD C 7.944 0.876 -2.585 1.00 . A A . 16 PRO CD 1 1
7 1606 1 1 16 PRO CG C 7.679 2.194 -3.319 1.00 . A A . 16 PRO CG 1 1
7 1607 1 1 16 PRO HA H 10.730 1.326 -4.231 1.00 . A A . 16 PRO HA 1 1
7 1608 1 1 16 PRO HB2 H 9.139 3.619 -4.121 1.00 . A A . 16 PRO HB2 1 1
7 1609 1 1 16 PRO HB3 H 8.828 2.223 -5.155 1.00 . A A . 16 PRO HB3 1 1
7 1610 1 1 16 PRO HD2 H 7.726 0.999 -1.515 1.00 . A A . 16 PRO HD2 1 1
7 1611 1 1 16 PRO HD3 H 7.281 0.070 -2.925 1.00 . A A . 16 PRO HD3 1 1
7 1612 1 1 16 PRO HG2 H 7.462 2.997 -2.589 1.00 . A A . 16 PRO HG2 1 1
7 1613 1 1 16 PRO HG3 H 6.795 2.125 -3.983 1.00 . A A . 16 PRO HG3 1 1
7 1614 1 1 16 PRO N N 9.363 0.574 -2.823 1.00 . A A . 16 PRO N 1 1
7 1615 1 1 16 PRO O O 11.961 3.158 -3.060 1.00 . A A . 16 PRO O 1 1
7 1616 1 1 17 PHL C C 12.049 2.847 0.902 1.00 . A A . 17 PHL C 1 1
7 1617 1 1 17 PHL CA C 11.463 3.597 -0.313 1.00 . A A . 17 PHL CA 1 1
7 1618 1 1 17 PHL CB C 10.504 4.743 0.104 1.00 . A A . 17 PHL CB 1 1
7 1619 1 1 17 PHL CD1 C 10.898 6.418 -1.780 1.00 . A A . 17 PHL CD1 1 1
7 1620 1 1 17 PHL CD2 C 8.651 5.604 -1.432 1.00 . A A . 17 PHL CD2 1 1
7 1621 1 1 17 PHL CE1 C 10.462 7.152 -2.877 1.00 . A A . 17 PHL CE1 1 1
7 1622 1 1 17 PHL CE2 C 8.213 6.344 -2.526 1.00 . A A . 17 PHL CE2 1 1
7 1623 1 1 17 PHL CG C 9.996 5.637 -1.047 1.00 . A A . 17 PHL CG 1 1
7 1624 1 1 17 PHL CZ C 9.118 7.118 -3.251 1.00 . A A . 17 PHL CZ 1 1
7 1625 1 1 17 PHL H2 H 9.866 2.178 -0.946 1.00 . A A . 17 PHL H2 1 1
7 1626 1 1 17 PHL HA H 12.328 4.061 -0.823 1.00 . A A . 17 PHL HA 1 1
7 1627 1 1 17 PHL HB2 H 9.654 4.301 0.664 1.00 . A A . 17 PHL HB2 1 1
7 1628 1 1 17 PHL HB3 H 11.021 5.389 0.837 1.00 . A A . 17 PHL HB3 1 1
7 1629 1 1 17 PHL HC1 H 12.687 2.000 0.574 1.00 . A A . 17 PHL HC1 1 1
7 1630 1 1 17 PHL HC2 H 11.249 2.413 1.527 1.00 . A A . 17 PHL HC2 1 1
7 1631 1 1 17 PHL HD1 H 11.953 6.401 -1.539 1.00 . A A . 17 PHL HD1 1 1
7 1632 1 1 17 PHL HD2 H 7.955 4.961 -0.915 1.00 . A A . 17 PHL HD2 1 1
7 1633 1 1 17 PHL HE1 H 11.174 7.721 -3.457 1.00 . A A . 17 PHL HE1 1 1
7 1634 1 1 17 PHL HE2 H 7.176 6.296 -2.826 1.00 . A A . 17 PHL HE2 1 1
7 1635 1 1 17 PHL HO H 12.380 4.558 1.712 1.00 . A A . 17 PHL HO 1 1
7 1636 1 1 17 PHL HZ H 8.784 7.675 -4.116 1.00 . A A . 17 PHL HZ 1 1
7 1637 1 1 17 PHL N N 10.746 2.653 -1.213 1.00 . A A . 17 PHL N 1 1
7 1638 1 1 17 PHL O O 12.837 3.715 1.709 1.00 . A A . 17 PHL O 1 1
8 1639 1 1 1 ACE C C -11.562 -1.607 -1.131 1.00 . A A . 1 ACE C 1 1
8 1640 1 1 1 ACE CH3 C -12.498 -2.813 -1.201 1.00 . A A . 1 ACE CH3 1 1
8 1641 1 1 1 ACE H1 H -13.547 -2.522 -1.398 1.00 . A A . 1 ACE H1 1 1
8 1642 1 1 1 ACE H2 H -12.192 -3.506 -2.006 1.00 . A A . 1 ACE H2 1 1
8 1643 1 1 1 ACE H3 H -12.477 -3.386 -0.254 1.00 . A A . 1 ACE H3 1 1
8 1644 1 1 1 ACE O O -10.464 -1.648 -1.688 1.00 . A A . 1 ACE O 1 1
8 1645 1 1 2 TRP C C -10.031 0.222 1.029 1.00 . A A . 2 TRP C 1 1
8 1646 1 1 2 TRP CA C -11.118 0.586 -0.032 1.00 . A A . 2 TRP CA 1 1
8 1647 1 1 2 TRP CB C -11.976 1.809 0.405 1.00 . A A . 2 TRP CB 1 1
8 1648 1 1 2 TRP CD1 C -10.927 3.606 2.005 1.00 . A A . 2 TRP CD1 1 1
8 1649 1 1 2 TRP CD2 C -10.440 3.889 -0.150 1.00 . A A . 2 TRP CD2 1 1
8 1650 1 1 2 TRP CE2 C -9.741 4.848 0.629 1.00 . A A . 2 TRP CE2 1 1
8 1651 1 1 2 TRP CE3 C -10.261 3.841 -1.556 1.00 . A A . 2 TRP CE3 1 1
8 1652 1 1 2 TRP CG C -11.181 3.095 0.711 1.00 . A A . 2 TRP CG 1 1
8 1653 1 1 2 TRP CH2 C -8.700 5.704 -1.380 1.00 . A A . 2 TRP CH2 1 1
8 1654 1 1 2 TRP CZ2 C -8.856 5.761 0.005 1.00 . A A . 2 TRP CZ2 1 1
8 1655 1 1 2 TRP CZ3 C -9.393 4.759 -2.149 1.00 . A A . 2 TRP CZ3 1 1
8 1656 1 1 2 TRP H H -12.929 -0.684 0.008 1.00 . A A . 2 TRP H 1 1
8 1657 1 1 2 TRP HA H -10.583 0.897 -0.952 1.00 . A A . 2 TRP HA 1 1
8 1658 1 1 2 TRP HB2 H -12.721 2.033 -0.377 1.00 . A A . 2 TRP HB2 1 1
8 1659 1 1 2 TRP HB3 H -12.582 1.536 1.289 1.00 . A A . 2 TRP HB3 1 1
8 1660 1 1 2 TRP HD1 H -11.318 3.178 2.918 1.00 . A A . 2 TRP HD1 1 1
8 1661 1 1 2 TRP HE1 H -9.647 5.213 2.767 1.00 . A A . 2 TRP HE1 1 1
8 1662 1 1 2 TRP HE3 H -10.784 3.117 -2.163 1.00 . A A . 2 TRP HE3 1 1
8 1663 1 1 2 TRP HH2 H -8.032 6.398 -1.867 1.00 . A A . 2 TRP HH2 1 1
8 1664 1 1 2 TRP HZ2 H -8.308 6.489 0.588 1.00 . A A . 2 TRP HZ2 1 1
8 1665 1 1 2 TRP HZ3 H -9.254 4.745 -3.220 1.00 . A A . 2 TRP HZ3 1 1
8 1666 1 1 2 TRP N N -11.998 -0.563 -0.403 1.00 . A A . 2 TRP N 1 1
8 1667 1 1 2 TRP NE1 N -10.038 4.694 1.972 1.00 . A A . 2 TRP NE1 1 1
8 1668 1 1 2 TRP O O -8.878 0.623 0.858 1.00 . A A . 2 TRP O 1 1
8 1669 1 1 3 ILE C C -8.463 -2.169 2.518 1.00 . A A . 3 ILE C 1 1
8 1670 1 1 3 ILE CA C -9.395 -1.050 3.080 1.00 . A A . 3 ILE CA 1 1
8 1671 1 1 3 ILE CB C -9.975 -1.379 4.501 1.00 . A A . 3 ILE CB 1 1
8 1672 1 1 3 ILE CD1 C -12.129 -2.778 3.852 1.00 . A A . 3 ILE CD1 1 1
8 1673 1 1 3 ILE CG1 C -10.827 -2.675 4.659 1.00 . A A . 3 ILE CG1 1 1
8 1674 1 1 3 ILE CG2 C -10.648 -0.163 5.183 1.00 . A A . 3 ILE CG2 1 1
8 1675 1 1 3 ILE H H -11.393 -0.731 2.135 1.00 . A A . 3 ILE H 1 1
8 1676 1 1 3 ILE HA H -8.690 -0.214 3.251 1.00 . A A . 3 ILE HA 1 1
8 1677 1 1 3 ILE HB H -9.082 -1.567 5.129 1.00 . A A . 3 ILE HB 1 1
8 1678 1 1 3 ILE HD11 H -11.930 -2.889 2.772 1.00 . A A . 3 ILE HD11 1 1
8 1679 1 1 3 ILE HD12 H -12.720 -3.659 4.162 1.00 . A A . 3 ILE HD12 1 1
8 1680 1 1 3 ILE HD13 H -12.773 -1.891 3.987 1.00 . A A . 3 ILE HD13 1 1
8 1681 1 1 3 ILE HG12 H -10.200 -3.552 4.415 1.00 . A A . 3 ILE HG12 1 1
8 1682 1 1 3 ILE HG13 H -11.071 -2.811 5.729 1.00 . A A . 3 ILE HG13 1 1
8 1683 1 1 3 ILE HG21 H -11.600 0.121 4.698 1.00 . A A . 3 ILE HG21 1 1
8 1684 1 1 3 ILE HG22 H -10.871 -0.361 6.248 1.00 . A A . 3 ILE HG22 1 1
8 1685 1 1 3 ILE HG23 H -9.994 0.728 5.158 1.00 . A A . 3 ILE HG23 1 1
8 1686 1 1 3 ILE N N -10.391 -0.506 2.106 1.00 . A A . 3 ILE N 1 1
8 1687 1 1 3 ILE O O -7.281 -2.170 2.873 1.00 . A A . 3 ILE O 1 1
8 1688 1 1 4 GLN C C -7.023 -3.127 -0.099 1.00 . A A . 4 GLN C 1 1
8 1689 1 1 4 GLN CA C -8.031 -3.914 0.791 1.00 . A A . 4 GLN CA 1 1
8 1690 1 1 4 GLN CB C -8.812 -4.932 -0.088 1.00 . A A . 4 GLN CB 1 1
8 1691 1 1 4 GLN CD C -9.855 -7.322 -0.238 1.00 . A A . 4 GLN CD 1 1
8 1692 1 1 4 GLN CG C -9.314 -6.188 0.661 1.00 . A A . 4 GLN CG 1 1
8 1693 1 1 4 GLN H H -9.934 -2.960 1.390 1.00 . A A . 4 GLN H 1 1
8 1694 1 1 4 GLN HA H -7.411 -4.498 1.500 1.00 . A A . 4 GLN HA 1 1
8 1695 1 1 4 GLN HB2 H -9.653 -4.432 -0.608 1.00 . A A . 4 GLN HB2 1 1
8 1696 1 1 4 GLN HB3 H -8.150 -5.288 -0.903 1.00 . A A . 4 GLN HB3 1 1
8 1697 1 1 4 GLN HE21 H -10.478 -8.310 1.394 1.00 . A A . 4 GLN HE21 1 1
8 1698 1 1 4 GLN HE22 H -10.729 -9.126 -0.230 1.00 . A A . 4 GLN HE22 1 1
8 1699 1 1 4 GLN HG2 H -8.481 -6.603 1.261 1.00 . A A . 4 GLN HG2 1 1
8 1700 1 1 4 GLN HG3 H -10.087 -5.892 1.396 1.00 . A A . 4 GLN HG3 1 1
8 1701 1 1 4 GLN N N -8.937 -3.062 1.614 1.00 . A A . 4 GLN N 1 1
8 1702 1 1 4 GLN NE2 N -10.427 -8.349 0.370 1.00 . A A . 4 GLN NE2 1 1
8 1703 1 1 4 GLN O O -5.855 -3.514 -0.125 1.00 . A A . 4 GLN O 1 1
8 1704 1 1 4 GLN OE1 O -9.746 -7.317 -1.465 1.00 . A A . 4 GLN OE1 1 1
8 1705 1 1 5 . C C -5.386 -0.541 -0.849 1.00 . A A . 5 DIV C 1 1
8 1706 1 1 5 . CA C -6.576 -1.194 -1.670 1.00 . A A . 5 DIV CA 1 1
8 1707 1 1 5 . CB1 C -6.070 -2.068 -2.870 1.00 . A A . 5 DIV CB1 1 1
8 1708 1 1 5 . CB2 C -7.457 -0.033 -2.227 1.00 . A A . 5 DIV CB2 1 1
8 1709 1 1 5 . CG1 C -7.058 -2.577 -3.942 1.00 . A A . 5 DIV CG1 1 1
8 1710 1 1 5 . H2 H -8.416 -1.785 -0.664 1.00 . A A . 5 DIV H2 1 1
8 1711 1 1 5 . HB11 H -5.292 -1.485 -3.355 1.00 . A A . 5 DIV HB11 1 1
8 1712 1 1 5 . HB12 H -5.525 -2.951 -2.496 1.00 . A A . 5 DIV HB12 1 1
8 1713 1 1 5 . HB21 H -7.870 0.613 -1.431 1.00 . A A . 5 DIV HB21 1 1
8 1714 1 1 5 . HB22 H -6.882 0.632 -2.899 1.00 . A A . 5 DIV HB22 1 1
8 1715 1 1 5 . HB23 H -8.328 -0.390 -2.806 1.00 . A A . 5 DIV HB23 1 1
8 1716 1 1 5 . HG11 H -7.513 -1.749 -4.518 1.00 . A A . 5 DIV HG11 1 1
8 1717 1 1 5 . HG12 H -6.547 -3.232 -4.672 1.00 . A A . 5 DIV HG12 1 1
8 1718 1 1 5 . HG13 H -7.880 -3.167 -3.496 1.00 . A A . 5 DIV HG13 1 1
8 1719 1 1 5 . N N -7.449 -2.055 -0.816 1.00 . A A . 5 DIV N 1 1
8 1720 1 1 5 . O O -4.216 -0.695 -1.208 1.00 . A A . 5 DIV O 1 1
8 1721 1 1 6 ILE C C -3.777 -0.445 1.927 1.00 . A A . 6 ILE C 1 1
8 1722 1 1 6 ILE CA C -4.642 0.675 1.229 1.00 . A A . 6 ILE CA 1 1
8 1723 1 1 6 ILE CB C -5.302 1.716 2.218 1.00 . A A . 6 ILE CB 1 1
8 1724 1 1 6 ILE CD1 C -5.232 3.828 0.619 1.00 . A A . 6 ILE CD1 1 1
8 1725 1 1 6 ILE CG1 C -6.057 2.907 1.536 1.00 . A A . 6 ILE CG1 1 1
8 1726 1 1 6 ILE CG2 C -4.343 2.297 3.291 1.00 . A A . 6 ILE CG2 1 1
8 1727 1 1 6 ILE H H -6.676 0.204 0.498 1.00 . A A . 6 ILE H 1 1
8 1728 1 1 6 ILE HA H -3.924 1.249 0.614 1.00 . A A . 6 ILE HA 1 1
8 1729 1 1 6 ILE HB H -6.071 1.164 2.790 1.00 . A A . 6 ILE HB 1 1
8 1730 1 1 6 ILE HD11 H -4.785 3.277 -0.229 1.00 . A A . 6 ILE HD11 1 1
8 1731 1 1 6 ILE HD12 H -5.863 4.627 0.188 1.00 . A A . 6 ILE HD12 1 1
8 1732 1 1 6 ILE HD13 H -4.408 4.325 1.163 1.00 . A A . 6 ILE HD13 1 1
8 1733 1 1 6 ILE HG12 H -6.910 2.516 0.952 1.00 . A A . 6 ILE HG12 1 1
8 1734 1 1 6 ILE HG13 H -6.536 3.534 2.312 1.00 . A A . 6 ILE HG13 1 1
8 1735 1 1 6 ILE HG21 H -3.461 2.790 2.842 1.00 . A A . 6 ILE HG21 1 1
8 1736 1 1 6 ILE HG22 H -4.841 3.046 3.936 1.00 . A A . 6 ILE HG22 1 1
8 1737 1 1 6 ILE HG23 H -3.967 1.513 3.973 1.00 . A A . 6 ILE HG23 1 1
8 1738 1 1 6 ILE N N -5.676 0.146 0.284 1.00 . A A . 6 ILE N 1 1
8 1739 1 1 6 ILE O O -2.622 -0.168 2.252 1.00 . A A . 6 ILE O 1 1
8 1740 1 1 7 THR C C -2.507 -3.422 1.533 1.00 . A A . 7 THR C 1 1
8 1741 1 1 7 THR CA C -3.503 -2.855 2.591 1.00 . A A . 7 THR CA 1 1
8 1742 1 1 7 THR CB C -4.455 -3.923 3.214 1.00 . A A . 7 THR CB 1 1
8 1743 1 1 7 THR CG2 C -3.791 -5.203 3.754 1.00 . A A . 7 THR CG2 1 1
8 1744 1 1 7 THR H H -5.274 -1.781 1.826 1.00 . A A . 7 THR H 1 1
8 1745 1 1 7 THR HA H -2.862 -2.500 3.412 1.00 . A A . 7 THR HA 1 1
8 1746 1 1 7 THR HB H -5.194 -4.231 2.451 1.00 . A A . 7 THR HB 1 1
8 1747 1 1 7 THR HG1 H -5.545 -2.532 3.975 1.00 . A A . 7 THR HG1 1 1
8 1748 1 1 7 THR HG21 H -4.530 -5.848 4.267 1.00 . A A . 7 THR HG21 1 1
8 1749 1 1 7 THR HG22 H -3.349 -5.809 2.941 1.00 . A A . 7 THR HG22 1 1
8 1750 1 1 7 THR HG23 H -2.987 -4.984 4.482 1.00 . A A . 7 THR HG23 1 1
8 1751 1 1 7 THR N N -4.295 -1.680 2.121 1.00 . A A . 7 THR N 1 1
8 1752 1 1 7 THR O O -1.348 -3.613 1.896 1.00 . A A . 7 THR O 1 1
8 1753 1 1 7 THR OG1 O -5.159 -3.346 4.310 1.00 . A A . 7 THR OG1 1 1
8 1754 1 1 8 ABA C C -0.829 -2.946 -1.115 1.00 . A A . 8 AIB C 1 1
8 1755 1 1 8 ABA CA C -1.951 -4.032 -0.856 1.00 . A A . 8 AIB CA 1 1
8 1756 1 1 8 ABA N N -2.903 -3.683 0.264 1.00 . A A . 8 AIB N 1 1
8 1757 1 1 8 ABA O O 0.336 -3.263 -1.384 1.00 . A A . 8 AIB O 1 1
8 1758 1 1 9 LEU C C 0.544 -0.182 0.196 1.00 . A A . 9 LEU C 1 1
8 1759 1 1 9 LEU CA C -0.281 -0.498 -1.100 1.00 . A A . 9 LEU CA 1 1
8 1760 1 1 9 LEU CB C -1.118 0.718 -1.599 1.00 . A A . 9 LEU CB 1 1
8 1761 1 1 9 LEU CD1 C -2.754 1.584 -3.404 1.00 . A A . 9 LEU CD1 1 1
8 1762 1 1 9 LEU CD2 C -0.376 1.024 -4.039 1.00 . A A . 9 LEU CD2 1 1
8 1763 1 1 9 LEU CG C -1.546 0.674 -3.100 1.00 . A A . 9 LEU CG 1 1
8 1764 1 1 9 LEU H H -2.180 -1.534 -0.718 1.00 . A A . 9 LEU H 1 1
8 1765 1 1 9 LEU HA H 0.468 -0.702 -1.882 1.00 . A A . 9 LEU HA 1 1
8 1766 1 1 9 LEU HB2 H -2.008 0.827 -0.952 1.00 . A A . 9 LEU HB2 1 1
8 1767 1 1 9 LEU HB3 H -0.551 1.648 -1.427 1.00 . A A . 9 LEU HB3 1 1
8 1768 1 1 9 LEU HD11 H -2.549 2.645 -3.169 1.00 . A A . 9 LEU HD11 1 1
8 1769 1 1 9 LEU HD12 H -3.041 1.535 -4.473 1.00 . A A . 9 LEU HD12 1 1
8 1770 1 1 9 LEU HD13 H -3.652 1.288 -2.831 1.00 . A A . 9 LEU HD13 1 1
8 1771 1 1 9 LEU HD21 H 0.491 0.357 -3.888 1.00 . A A . 9 LEU HD21 1 1
8 1772 1 1 9 LEU HD22 H -0.657 0.935 -5.105 1.00 . A A . 9 LEU HD22 1 1
8 1773 1 1 9 LEU HD23 H -0.019 2.058 -3.877 1.00 . A A . 9 LEU HD23 1 1
8 1774 1 1 9 LEU HG H -1.875 -0.353 -3.346 1.00 . A A . 9 LEU HG 1 1
8 1775 1 1 9 LEU N N -1.206 -1.656 -1.016 1.00 . A A . 9 LEU N 1 1
8 1776 1 1 9 LEU O O 1.525 0.556 0.072 1.00 . A A . 9 LEU O 1 1
8 1777 1 1 10 ABA C C 2.491 -1.168 2.488 1.00 . A A . 10 AIB C 1 1
8 1778 1 1 10 ABA CA C 1.011 -0.604 2.661 1.00 . A A . 10 AIB CA 1 1
8 1779 1 1 10 ABA N N 0.206 -0.726 1.399 1.00 . A A . 10 AIB N 1 1
8 1780 1 1 10 ABA O O 3.419 -0.391 2.728 1.00 . A A . 10 AIB O 1 1
8 1781 1 1 11 HYP C C 4.758 -2.121 0.283 1.00 . A A . 11 HYP C 1 1
8 1782 1 1 11 HYP CA C 4.178 -2.809 1.566 1.00 . A A . 11 HYP CA 1 1
8 1783 1 1 11 HYP CB C 4.076 -4.340 1.416 1.00 . A A . 11 HYP CB 1 1
8 1784 1 1 11 HYP CD C 1.861 -3.545 1.900 1.00 . A A . 11 HYP CD 1 1
8 1785 1 1 11 HYP CG C 2.607 -4.620 1.110 1.00 . A A . 11 HYP CG 1 1
8 1786 1 1 11 HYP HA H 4.890 -2.604 2.389 1.00 . A A . 11 HYP HA 1 1
8 1787 1 1 11 HYP HB2 H 4.747 -4.758 0.645 1.00 . A A . 11 HYP HB2 1 1
8 1788 1 1 11 HYP HB3 H 4.360 -4.831 2.365 1.00 . A A . 11 HYP HB3 1 1
8 1789 1 1 11 HYP HD1 H 1.339 -5.831 1.906 1.00 . A A . 11 HYP HD1 1 1
8 1790 1 1 11 HYP HD22 H 0.945 -3.260 1.361 1.00 . A A . 11 HYP HD22 1 1
8 1791 1 1 11 HYP HD23 H 1.583 -3.916 2.905 1.00 . A A . 11 HYP HD23 1 1
8 1792 1 1 11 HYP HG H 2.411 -4.501 0.026 1.00 . A A . 11 HYP HG 1 1
8 1793 1 1 11 HYP N N 2.809 -2.426 2.021 1.00 . A A . 11 HYP N 1 1
8 1794 1 1 11 HYP O O 5.956 -2.288 0.035 1.00 . A A . 11 HYP O 1 1
8 1795 1 1 11 HYP OD1 O 2.222 -5.921 1.541 1.00 . A A . 11 HYP OD1 1 1
8 1796 1 1 12 GLN C C 4.769 1.068 -1.086 1.00 . A A . 12 GLN C 1 1
8 1797 1 1 12 GLN CA C 4.507 -0.410 -1.525 1.00 . A A . 12 GLN CA 1 1
8 1798 1 1 12 GLN CB C 3.583 -0.448 -2.775 1.00 . A A . 12 GLN CB 1 1
8 1799 1 1 12 GLN CD C 2.576 -1.796 -4.720 1.00 . A A . 12 GLN CD 1 1
8 1800 1 1 12 GLN CG C 3.288 -1.844 -3.356 1.00 . A A . 12 GLN CG 1 1
8 1801 1 1 12 GLN H H 3.032 -1.139 -0.123 1.00 . A A . 12 GLN H 1 1
8 1802 1 1 12 GLN HA H 5.503 -0.778 -1.824 1.00 . A A . 12 GLN HA 1 1
8 1803 1 1 12 GLN HB2 H 2.624 0.056 -2.550 1.00 . A A . 12 GLN HB2 1 1
8 1804 1 1 12 GLN HB3 H 4.050 0.169 -3.562 1.00 . A A . 12 GLN HB3 1 1
8 1805 1 1 12 GLN HE21 H 0.990 -2.778 -3.987 1.00 . A A . 12 GLN HE21 1 1
8 1806 1 1 12 GLN HE22 H 0.954 -2.284 -5.762 1.00 . A A . 12 GLN HE22 1 1
8 1807 1 1 12 GLN HG2 H 4.238 -2.406 -3.455 1.00 . A A . 12 GLN HG2 1 1
8 1808 1 1 12 GLN HG3 H 2.691 -2.397 -2.599 1.00 . A A . 12 GLN HG3 1 1
8 1809 1 1 12 GLN N N 3.977 -1.314 -0.471 1.00 . A A . 12 GLN N 1 1
8 1810 1 1 12 GLN NE2 N 1.385 -2.350 -4.832 1.00 . A A . 12 GLN NE2 1 1
8 1811 1 1 12 GLN O O 5.002 1.899 -1.966 1.00 . A A . 12 GLN O 1 1
8 1812 1 1 12 GLN OE1 O 3.094 -1.252 -5.698 1.00 . A A . 12 GLN OE1 1 1
8 1813 1 1 13 ABA C C 7.113 1.951 1.039 1.00 . A A . 13 AIB C 1 1
8 1814 1 1 13 ABA CA C 5.606 2.475 0.859 1.00 . A A . 13 AIB CA 1 1
8 1815 1 1 13 ABA N N 4.804 1.378 0.231 1.00 . A A . 13 AIB N 1 1
8 1816 1 1 13 ABA O O 8.012 2.502 0.384 1.00 . A A . 13 AIB O 1 1
8 1817 1 1 14 HYP C C 9.569 -0.226 0.709 1.00 . A A . 14 HYP C 1 1
8 1818 1 1 14 HYP CA C 8.881 0.398 1.958 1.00 . A A . 14 HYP CA 1 1
8 1819 1 1 14 HYP CB C 8.836 -0.595 3.134 1.00 . A A . 14 HYP CB 1 1
8 1820 1 1 14 HYP CD C 6.545 0.048 2.598 1.00 . A A . 14 HYP CD 1 1
8 1821 1 1 14 HYP CG C 7.374 -0.973 3.374 1.00 . A A . 14 HYP CG 1 1
8 1822 1 1 14 HYP HA H 9.499 1.255 2.287 1.00 . A A . 14 HYP HA 1 1
8 1823 1 1 14 HYP HB2 H 9.432 -1.505 2.939 1.00 . A A . 14 HYP HB2 1 1
8 1824 1 1 14 HYP HB3 H 9.270 -0.128 4.039 1.00 . A A . 14 HYP HB3 1 1
8 1825 1 1 14 HYP HD1 H 7.257 -0.033 5.043 1.00 . A A . 14 HYP HD1 1 1
8 1826 1 1 14 HYP HD22 H 5.850 -0.461 1.923 1.00 . A A . 14 HYP HD22 1 1
8 1827 1 1 14 HYP HD23 H 5.937 0.643 3.280 1.00 . A A . 14 HYP HD23 1 1
8 1828 1 1 14 HYP HG H 7.173 -1.994 2.993 1.00 . A A . 14 HYP HG 1 1
8 1829 1 1 14 HYP N N 7.480 0.880 1.829 1.00 . A A . 14 HYP N 1 1
8 1830 1 1 14 HYP O O 10.775 -0.018 0.560 1.00 . A A . 14 HYP O 1 1
8 1831 1 1 14 HYP OD1 O 7.069 -0.932 4.763 1.00 . A A . 14 HYP OD1 1 1
8 1832 1 1 15 ABA C C 10.085 -0.549 -2.388 1.00 . A A . 15 AIB C 1 1
8 1833 1 1 15 ABA CA C 9.461 -1.622 -1.393 1.00 . A A . 15 AIB CA 1 1
8 1834 1 1 15 ABA N N 8.866 -1.004 -0.160 1.00 . A A . 15 AIB N 1 1
8 1835 1 1 15 ABA O O 11.252 -0.723 -2.761 1.00 . A A . 15 AIB O 1 1
8 1836 1 1 16 PRO C C 11.088 2.589 -2.485 1.00 . A A . 16 PRO C 1 1
8 1837 1 1 16 PRO CA C 10.163 1.744 -3.408 1.00 . A A . 16 PRO CA 1 1
8 1838 1 1 16 PRO CB C 9.039 2.574 -4.052 1.00 . A A . 16 PRO CB 1 1
8 1839 1 1 16 PRO CD C 8.020 0.894 -2.576 1.00 . A A . 16 PRO CD 1 1
8 1840 1 1 16 PRO CG C 7.767 2.233 -3.278 1.00 . A A . 16 PRO CG 1 1
8 1841 1 1 16 PRO HA H 10.818 1.364 -4.200 1.00 . A A . 16 PRO HA 1 1
8 1842 1 1 16 PRO HB2 H 9.236 3.663 -4.054 1.00 . A A . 16 PRO HB2 1 1
8 1843 1 1 16 PRO HB3 H 8.919 2.286 -5.113 1.00 . A A . 16 PRO HB3 1 1
8 1844 1 1 16 PRO HD2 H 7.789 0.989 -1.506 1.00 . A A . 16 PRO HD2 1 1
8 1845 1 1 16 PRO HD3 H 7.363 0.097 -2.945 1.00 . A A . 16 PRO HD3 1 1
8 1846 1 1 16 PRO HG2 H 7.563 3.021 -2.528 1.00 . A A . 16 PRO HG2 1 1
8 1847 1 1 16 PRO HG3 H 6.884 2.193 -3.942 1.00 . A A . 16 PRO HG3 1 1
8 1848 1 1 16 PRO N N 9.443 0.591 -2.806 1.00 . A A . 16 PRO N 1 1
8 1849 1 1 16 PRO O O 12.023 3.207 -3.001 1.00 . A A . 16 PRO O 1 1
8 1850 1 1 17 PHL C C 12.096 2.789 0.949 1.00 . A A . 17 PHL C 1 1
8 1851 1 1 17 PHL CA C 11.525 3.578 -0.250 1.00 . A A . 17 PHL CA 1 1
8 1852 1 1 17 PHL CB C 10.558 4.716 0.169 1.00 . A A . 17 PHL CB 1 1
8 1853 1 1 17 PHL CD1 C 10.966 6.416 -1.689 1.00 . A A . 17 PHL CD1 1 1
8 1854 1 1 17 PHL CD2 C 8.711 5.615 -1.360 1.00 . A A . 17 PHL CD2 1 1
8 1855 1 1 17 PHL CE1 C 10.538 7.178 -2.772 1.00 . A A . 17 PHL CE1 1 1
8 1856 1 1 17 PHL CE2 C 8.282 6.383 -2.440 1.00 . A A . 17 PHL CE2 1 1
8 1857 1 1 17 PHL CG C 10.059 5.628 -0.974 1.00 . A A . 17 PHL CG 1 1
8 1858 1 1 17 PHL CZ C 9.195 7.166 -3.145 1.00 . A A . 17 PHL CZ 1 1
8 1859 1 1 17 PHL H2 H 9.953 2.145 -0.900 1.00 . A A . 17 PHL H2 1 1
8 1860 1 1 17 PHL HA H 12.395 4.049 -0.745 1.00 . A A . 17 PHL HA 1 1
8 1861 1 1 17 PHL HB2 H 9.705 4.263 0.712 1.00 . A A . 17 PHL HB2 1 1
8 1862 1 1 17 PHL HB3 H 11.065 5.354 0.918 1.00 . A A . 17 PHL HB3 1 1
8 1863 1 1 17 PHL HC1 H 12.725 1.946 0.600 1.00 . A A . 17 PHL HC1 1 1
8 1864 1 1 17 PHL HC2 H 11.287 2.352 1.557 1.00 . A A . 17 PHL HC2 1 1
8 1865 1 1 17 PHL HD1 H 12.019 6.390 -1.442 1.00 . A A . 17 PHL HD1 1 1
8 1866 1 1 17 PHL HD2 H 8.010 4.975 -0.853 1.00 . A A . 17 PHL HD2 1 1
8 1867 1 1 17 PHL HE1 H 11.255 7.755 -3.338 1.00 . A A . 17 PHL HE1 1 1
8 1868 1 1 17 PHL HE2 H 7.245 6.355 -2.741 1.00 . A A . 17 PHL HE2 1 1
8 1869 1 1 17 PHL HO H 13.601 3.947 1.223 1.00 . A A . 17 PHL HO 1 1
8 1870 1 1 17 PHL HZ H 8.863 7.754 -3.990 1.00 . A A . 17 PHL HZ 1 1
8 1871 1 1 17 PHL N N 10.817 2.645 -1.166 1.00 . A A . 17 PHL N 1 1
8 1872 1 1 17 PHL O O 12.893 3.621 1.780 1.00 . A A . 17 PHL O 1 1
9 1873 1 1 1 ACE C C -11.667 -1.775 -0.997 1.00 . A A . 1 ACE C 1 1
9 1874 1 1 1 ACE CH3 C -12.562 -3.015 -1.008 1.00 . A A . 1 ACE CH3 1 1
9 1875 1 1 1 ACE H1 H -13.630 -2.761 -1.143 1.00 . A A . 1 ACE H1 1 1
9 1876 1 1 1 ACE H2 H -12.288 -3.710 -1.823 1.00 . A A . 1 ACE H2 1 1
9 1877 1 1 1 ACE H3 H -12.470 -3.577 -0.060 1.00 . A A . 1 ACE H3 1 1
9 1878 1 1 1 ACE O O -10.609 -1.758 -1.633 1.00 . A A . 1 ACE O 1 1
9 1879 1 1 2 TRP C C -10.132 0.325 0.958 1.00 . A A . 2 TRP C 1 1
9 1880 1 1 2 TRP CA C -11.324 0.508 -0.030 1.00 . A A . 2 TRP CA 1 1
9 1881 1 1 2 TRP CB C -12.160 1.741 0.435 1.00 . A A . 2 TRP CB 1 1
9 1882 1 1 2 TRP CD1 C -14.009 2.249 -1.376 1.00 . A A . 2 TRP CD1 1 1
9 1883 1 1 2 TRP CD2 C -14.754 1.610 0.622 1.00 . A A . 2 TRP CD2 1 1
9 1884 1 1 2 TRP CE2 C -15.853 1.827 -0.243 1.00 . A A . 2 TRP CE2 1 1
9 1885 1 1 2 TRP CE3 C -14.963 1.185 1.960 1.00 . A A . 2 TRP CE3 1 1
9 1886 1 1 2 TRP CG C -13.595 1.876 -0.082 1.00 . A A . 2 TRP CG 1 1
9 1887 1 1 2 TRP CH2 C -17.362 1.219 1.549 1.00 . A A . 2 TRP CH2 1 1
9 1888 1 1 2 TRP CZ2 C -17.174 1.630 0.227 1.00 . A A . 2 TRP CZ2 1 1
9 1889 1 1 2 TRP CZ3 C -16.272 1.000 2.402 1.00 . A A . 2 TRP CZ3 1 1
9 1890 1 1 2 TRP H H -12.997 -0.931 0.226 1.00 . A A . 2 TRP H 1 1
9 1891 1 1 2 TRP HA H -10.894 0.792 -1.011 1.00 . A A . 2 TRP HA 1 1
9 1892 1 1 2 TRP HB2 H -12.202 1.774 1.542 1.00 . A A . 2 TRP HB2 1 1
9 1893 1 1 2 TRP HB3 H -11.608 2.664 0.172 1.00 . A A . 2 TRP HB3 1 1
9 1894 1 1 2 TRP HD1 H -13.336 2.501 -2.183 1.00 . A A . 2 TRP HD1 1 1
9 1895 1 1 2 TRP HE1 H -15.980 2.434 -2.326 1.00 . A A . 2 TRP HE1 1 1
9 1896 1 1 2 TRP HE3 H -14.132 1.012 2.630 1.00 . A A . 2 TRP HE3 1 1
9 1897 1 1 2 TRP HH2 H -18.364 1.074 1.921 1.00 . A A . 2 TRP HH2 1 1
9 1898 1 1 2 TRP HZ2 H -18.019 1.799 -0.423 1.00 . A A . 2 TRP HZ2 1 1
9 1899 1 1 2 TRP HZ3 H -16.445 0.685 3.421 1.00 . A A . 2 TRP HZ3 1 1
9 1900 1 1 2 TRP N N -12.104 -0.755 -0.244 1.00 . A A . 2 TRP N 1 1
9 1901 1 1 2 TRP NE1 N -15.413 2.227 -1.496 1.00 . A A . 2 TRP NE1 1 1
9 1902 1 1 2 TRP O O -9.032 0.814 0.691 1.00 . A A . 2 TRP O 1 1
9 1903 1 1 3 ILE C C -8.419 -2.046 2.411 1.00 . A A . 3 ILE C 1 1
9 1904 1 1 3 ILE CA C -9.265 -0.861 2.978 1.00 . A A . 3 ILE CA 1 1
9 1905 1 1 3 ILE CB C -9.820 -1.080 4.431 1.00 . A A . 3 ILE CB 1 1
9 1906 1 1 3 ILE CD1 C -8.974 -0.457 6.813 1.00 . A A . 3 ILE CD1 1 1
9 1907 1 1 3 ILE CG1 C -8.694 -1.211 5.503 1.00 . A A . 3 ILE CG1 1 1
9 1908 1 1 3 ILE CG2 C -10.846 -2.238 4.564 1.00 . A A . 3 ILE CG2 1 1
9 1909 1 1 3 ILE H H -11.320 -0.710 2.204 1.00 . A A . 3 ILE H 1 1
9 1910 1 1 3 ILE HA H -8.540 -0.025 3.027 1.00 . A A . 3 ILE HA 1 1
9 1911 1 1 3 ILE HB H -10.379 -0.156 4.676 1.00 . A A . 3 ILE HB 1 1
9 1912 1 1 3 ILE HD11 H -9.932 -0.757 7.273 1.00 . A A . 3 ILE HD11 1 1
9 1913 1 1 3 ILE HD12 H -8.175 -0.642 7.553 1.00 . A A . 3 ILE HD12 1 1
9 1914 1 1 3 ILE HD13 H -9.013 0.635 6.642 1.00 . A A . 3 ILE HD13 1 1
9 1915 1 1 3 ILE HG12 H -8.477 -2.275 5.723 1.00 . A A . 3 ILE HG12 1 1
9 1916 1 1 3 ILE HG13 H -7.737 -0.821 5.114 1.00 . A A . 3 ILE HG13 1 1
9 1917 1 1 3 ILE HG21 H -10.405 -3.221 4.307 1.00 . A A . 3 ILE HG21 1 1
9 1918 1 1 3 ILE HG22 H -11.237 -2.318 5.595 1.00 . A A . 3 ILE HG22 1 1
9 1919 1 1 3 ILE HG23 H -11.722 -2.096 3.902 1.00 . A A . 3 ILE HG23 1 1
9 1920 1 1 3 ILE N N -10.357 -0.375 2.092 1.00 . A A . 3 ILE N 1 1
9 1921 1 1 3 ILE O O -7.250 -2.139 2.780 1.00 . A A . 3 ILE O 1 1
9 1922 1 1 4 GLN C C -7.090 -3.137 -0.248 1.00 . A A . 4 GLN C 1 1
9 1923 1 1 4 GLN CA C -8.096 -3.837 0.713 1.00 . A A . 4 GLN CA 1 1
9 1924 1 1 4 GLN CB C -8.979 -4.885 -0.017 1.00 . A A . 4 GLN CB 1 1
9 1925 1 1 4 GLN CD C -8.975 -7.440 -0.461 1.00 . A A . 4 GLN CD 1 1
9 1926 1 1 4 GLN CG C -8.192 -6.122 -0.536 1.00 . A A . 4 GLN CG 1 1
9 1927 1 1 4 GLN H H -9.914 -2.697 1.243 1.00 . A A . 4 GLN H 1 1
9 1928 1 1 4 GLN HA H -7.496 -4.404 1.455 1.00 . A A . 4 GLN HA 1 1
9 1929 1 1 4 GLN HB2 H -9.758 -5.233 0.688 1.00 . A A . 4 GLN HB2 1 1
9 1930 1 1 4 GLN HB3 H -9.537 -4.423 -0.854 1.00 . A A . 4 GLN HB3 1 1
9 1931 1 1 4 GLN HE21 H -9.659 -7.203 -2.330 1.00 . A A . 4 GLN HE21 1 1
9 1932 1 1 4 GLN HE22 H -10.178 -8.715 -1.428 1.00 . A A . 4 GLN HE22 1 1
9 1933 1 1 4 GLN HG2 H -7.822 -5.936 -1.562 1.00 . A A . 4 GLN HG2 1 1
9 1934 1 1 4 GLN HG3 H -7.268 -6.265 0.058 1.00 . A A . 4 GLN HG3 1 1
9 1935 1 1 4 GLN N N -8.944 -2.898 1.502 1.00 . A A . 4 GLN N 1 1
9 1936 1 1 4 GLN NE2 N -9.673 -7.826 -1.518 1.00 . A A . 4 GLN NE2 1 1
9 1937 1 1 4 GLN O O -5.933 -3.558 -0.285 1.00 . A A . 4 GLN O 1 1
9 1938 1 1 4 GLN OE1 O -8.961 -8.128 0.560 1.00 . A A . 4 GLN OE1 1 1
9 1939 1 1 5 . C C -5.485 -0.520 -0.849 1.00 . A A . 5 DIV C 1 1
9 1940 1 1 5 . CA C -6.625 -1.155 -1.748 1.00 . A A . 5 DIV CA 1 1
9 1941 1 1 5 . CB1 C -6.057 -1.955 -2.969 1.00 . A A . 5 DIV CB1 1 1
9 1942 1 1 5 . CB2 C -7.519 0.012 -2.269 1.00 . A A . 5 DIV CB2 1 1
9 1943 1 1 5 . CG1 C -6.965 -2.334 -4.156 1.00 . A A . 5 DIV CG1 1 1
9 1944 1 1 5 . H2 H -8.473 -1.798 -0.810 1.00 . A A . 5 DIV H2 1 1
9 1945 1 1 5 . HB11 H -5.233 -1.360 -3.347 1.00 . A A . 5 DIV HB11 1 1
9 1946 1 1 5 . HB12 H -5.555 -2.877 -2.630 1.00 . A A . 5 DIV HB12 1 1
9 1947 1 1 5 . HB21 H -7.929 0.632 -1.455 1.00 . A A . 5 DIV HB21 1 1
9 1948 1 1 5 . HB22 H -6.953 0.700 -2.924 1.00 . A A . 5 DIV HB22 1 1
9 1949 1 1 5 . HB23 H -8.398 -0.332 -2.845 1.00 . A A . 5 DIV HB23 1 1
9 1950 1 1 5 . HG11 H -7.415 -1.447 -4.637 1.00 . A A . 5 DIV HG11 1 1
9 1951 1 1 5 . HG12 H -6.380 -2.852 -4.939 1.00 . A A . 5 DIV HG12 1 1
9 1952 1 1 5 . HG13 H -7.791 -3.001 -3.850 1.00 . A A . 5 DIV HG13 1 1
9 1953 1 1 5 . N N -7.509 -2.070 -0.975 1.00 . A A . 5 DIV N 1 1
9 1954 1 1 5 . O O -4.296 -0.630 -1.174 1.00 . A A . 5 DIV O 1 1
9 1955 1 1 6 ILE C C -3.891 -0.411 1.954 1.00 . A A . 6 ILE C 1 1
9 1956 1 1 6 ILE CA C -4.834 0.653 1.278 1.00 . A A . 6 ILE CA 1 1
9 1957 1 1 6 ILE CB C -5.533 1.675 2.267 1.00 . A A . 6 ILE CB 1 1
9 1958 1 1 6 ILE CD1 C -5.453 4.191 3.028 1.00 . A A . 6 ILE CD1 1 1
9 1959 1 1 6 ILE CG1 C -4.723 3.001 2.379 1.00 . A A . 6 ILE CG1 1 1
9 1960 1 1 6 ILE CG2 C -5.862 1.120 3.675 1.00 . A A . 6 ILE CG2 1 1
9 1961 1 1 6 ILE H H -6.840 0.109 0.503 1.00 . A A . 6 ILE H 1 1
9 1962 1 1 6 ILE HA H -4.147 1.248 0.643 1.00 . A A . 6 ILE HA 1 1
9 1963 1 1 6 ILE HB H -6.520 1.953 1.841 1.00 . A A . 6 ILE HB 1 1
9 1964 1 1 6 ILE HD11 H -5.662 4.018 4.099 1.00 . A A . 6 ILE HD11 1 1
9 1965 1 1 6 ILE HD12 H -4.840 5.108 2.963 1.00 . A A . 6 ILE HD12 1 1
9 1966 1 1 6 ILE HD13 H -6.416 4.406 2.528 1.00 . A A . 6 ILE HD13 1 1
9 1967 1 1 6 ILE HG12 H -3.773 2.820 2.917 1.00 . A A . 6 ILE HG12 1 1
9 1968 1 1 6 ILE HG13 H -4.421 3.334 1.369 1.00 . A A . 6 ILE HG13 1 1
9 1969 1 1 6 ILE HG21 H -4.953 0.978 4.292 1.00 . A A . 6 ILE HG21 1 1
9 1970 1 1 6 ILE HG22 H -6.538 1.792 4.235 1.00 . A A . 6 ILE HG22 1 1
9 1971 1 1 6 ILE HG23 H -6.362 0.141 3.616 1.00 . A A . 6 ILE HG23 1 1
9 1972 1 1 6 ILE N N -5.834 0.110 0.304 1.00 . A A . 6 ILE N 1 1
9 1973 1 1 6 ILE O O -2.789 -0.050 2.369 1.00 . A A . 6 ILE O 1 1
9 1974 1 1 7 THR C C -2.520 -3.386 1.475 1.00 . A A . 7 THR C 1 1
9 1975 1 1 7 THR CA C -3.492 -2.818 2.547 1.00 . A A . 7 THR CA 1 1
9 1976 1 1 7 THR CB C -4.411 -3.884 3.217 1.00 . A A . 7 THR CB 1 1
9 1977 1 1 7 THR CG2 C -3.703 -5.137 3.771 1.00 . A A . 7 THR CG2 1 1
9 1978 1 1 7 THR H H -5.265 -1.848 1.677 1.00 . A A . 7 THR H 1 1
9 1979 1 1 7 THR HA H -2.843 -2.422 3.344 1.00 . A A . 7 THR HA 1 1
9 1980 1 1 7 THR HB H -5.163 -4.225 2.481 1.00 . A A . 7 THR HB 1 1
9 1981 1 1 7 THR HG1 H -5.547 -2.517 3.947 1.00 . A A . 7 THR HG1 1 1
9 1982 1 1 7 THR HG21 H -4.424 -5.794 4.289 1.00 . A A . 7 THR HG21 1 1
9 1983 1 1 7 THR HG22 H -3.246 -5.738 2.962 1.00 . A A . 7 THR HG22 1 1
9 1984 1 1 7 THR HG23 H -2.905 -4.887 4.494 1.00 . A A . 7 THR HG23 1 1
9 1985 1 1 7 THR N N -4.324 -1.689 2.053 1.00 . A A . 7 THR N 1 1
9 1986 1 1 7 THR O O -1.363 -3.599 1.832 1.00 . A A . 7 THR O 1 1
9 1987 1 1 7 THR OG1 O -5.101 -3.286 4.312 1.00 . A A . 7 THR OG1 1 1
9 1988 1 1 8 ABA C C -0.860 -2.865 -1.168 1.00 . A A . 8 AIB C 1 1
9 1989 1 1 8 ABA CA C -1.986 -3.953 -0.927 1.00 . A A . 8 AIB CA 1 1
9 1990 1 1 8 ABA N N -2.929 -3.624 0.203 1.00 . A A . 8 AIB N 1 1
9 1991 1 1 8 ABA O O 0.306 -3.184 -1.436 1.00 . A A . 8 AIB O 1 1
9 1992 1 1 9 LEU C C 0.501 -0.099 0.168 1.00 . A A . 9 LEU C 1 1
9 1993 1 1 9 LEU CA C -0.304 -0.418 -1.137 1.00 . A A . 9 LEU CA 1 1
9 1994 1 1 9 LEU CB C -1.131 0.791 -1.662 1.00 . A A . 9 LEU CB 1 1
9 1995 1 1 9 LEU CD1 C -2.745 1.547 -3.532 1.00 . A A . 9 LEU CD1 1 1
9 1996 1 1 9 LEU CD2 C -0.292 1.213 -4.051 1.00 . A A . 9 LEU CD2 1 1
9 1997 1 1 9 LEU CG C -1.480 0.741 -3.184 1.00 . A A . 9 LEU CG 1 1
9 1998 1 1 9 LEU H H -2.213 -1.457 -0.791 1.00 . A A . 9 LEU H 1 1
9 1999 1 1 9 LEU HA H 0.464 -0.623 -1.903 1.00 . A A . 9 LEU HA 1 1
9 2000 1 1 9 LEU HB2 H -2.051 0.892 -1.055 1.00 . A A . 9 LEU HB2 1 1
9 2001 1 1 9 LEU HB3 H -0.582 1.727 -1.461 1.00 . A A . 9 LEU HB3 1 1
9 2002 1 1 9 LEU HD11 H -2.652 2.616 -3.260 1.00 . A A . 9 LEU HD11 1 1
9 2003 1 1 9 LEU HD12 H -2.969 1.498 -4.615 1.00 . A A . 9 LEU HD12 1 1
9 2004 1 1 9 LEU HD13 H -3.637 1.149 -3.012 1.00 . A A . 9 LEU HD13 1 1
9 2005 1 1 9 LEU HD21 H 0.624 0.627 -3.855 1.00 . A A . 9 LEU HD21 1 1
9 2006 1 1 9 LEU HD22 H -0.502 1.118 -5.134 1.00 . A A . 9 LEU HD22 1 1
9 2007 1 1 9 LEU HD23 H -0.043 2.271 -3.854 1.00 . A A . 9 LEU HD23 1 1
9 2008 1 1 9 LEU HG H -1.707 -0.303 -3.468 1.00 . A A . 9 LEU HG 1 1
9 2009 1 1 9 LEU N N -1.232 -1.576 -1.065 1.00 . A A . 9 LEU N 1 1
9 2010 1 1 9 LEU O O 1.465 0.667 0.064 1.00 . A A . 9 LEU O 1 1
9 2011 1 1 10 ABA C C 2.450 -1.142 2.439 1.00 . A A . 10 AIB C 1 1
9 2012 1 1 10 ABA CA C 0.974 -0.568 2.625 1.00 . A A . 10 AIB CA 1 1
9 2013 1 1 10 ABA N N 0.162 -0.668 1.362 1.00 . A A . 10 AIB N 1 1
9 2014 1 1 10 ABA O O 3.384 -0.369 2.668 1.00 . A A . 10 AIB O 1 1
9 2015 1 1 11 HYP C C 4.716 -2.092 0.231 1.00 . A A . 11 HYP C 1 1
9 2016 1 1 11 HYP CA C 4.124 -2.792 1.504 1.00 . A A . 11 HYP CA 1 1
9 2017 1 1 11 HYP CB C 3.999 -4.319 1.321 1.00 . A A . 11 HYP CB 1 1
9 2018 1 1 11 HYP CD C 1.795 -3.499 1.795 1.00 . A A . 11 HYP CD 1 1
9 2019 1 1 11 HYP CG C 2.531 -4.556 0.974 1.00 . A A . 11 HYP CG 1 1
9 2020 1 1 11 HYP HA H 4.837 -2.615 2.329 1.00 . A A . 11 HYP HA 1 1
9 2021 1 1 11 HYP HB2 H 4.681 -4.734 0.556 1.00 . A A . 11 HYP HB2 1 1
9 2022 1 1 11 HYP HB3 H 4.250 -4.839 2.267 1.00 . A A . 11 HYP HB3 1 1
9 2023 1 1 11 HYP HD1 H 1.355 -5.763 1.908 1.00 . A A . 11 HYP HD1 1 1
9 2024 1 1 11 HYP HD22 H 0.891 -3.185 1.258 1.00 . A A . 11 HYP HD22 1 1
9 2025 1 1 11 HYP HD23 H 1.513 -3.896 2.792 1.00 . A A . 11 HYP HD23 1 1
9 2026 1 1 11 HYP HG H 2.370 -4.387 -0.109 1.00 . A A . 11 HYP HG 1 1
9 2027 1 1 11 HYP N N 2.759 -2.399 1.964 1.00 . A A . 11 HYP N 1 1
9 2028 1 1 11 HYP O O 5.908 -2.279 -0.025 1.00 . A A . 11 HYP O 1 1
9 2029 1 1 11 HYP OD1 O 2.114 -5.869 1.327 1.00 . A A . 11 HYP OD1 1 1
9 2030 1 1 12 GLN C C 4.807 1.112 -1.089 1.00 . A A . 12 GLN C 1 1
9 2031 1 1 12 GLN CA C 4.516 -0.348 -1.552 1.00 . A A . 12 GLN CA 1 1
9 2032 1 1 12 GLN CB C 3.602 -0.347 -2.811 1.00 . A A . 12 GLN CB 1 1
9 2033 1 1 12 GLN CD C 2.582 -1.647 -4.780 1.00 . A A . 12 GLN CD 1 1
9 2034 1 1 12 GLN CG C 3.279 -1.730 -3.412 1.00 . A A . 12 GLN CG 1 1
9 2035 1 1 12 GLN H H 3.013 -1.065 -0.166 1.00 . A A . 12 GLN H 1 1
9 2036 1 1 12 GLN HA H 5.506 -0.733 -1.845 1.00 . A A . 12 GLN HA 1 1
9 2037 1 1 12 GLN HB2 H 2.655 0.179 -2.590 1.00 . A A . 12 GLN HB2 1 1
9 2038 1 1 12 GLN HB3 H 4.089 0.267 -3.588 1.00 . A A . 12 GLN HB3 1 1
9 2039 1 1 12 GLN HE21 H 0.984 -2.634 -4.071 1.00 . A A . 12 GLN HE21 1 1
9 2040 1 1 12 GLN HE22 H 0.959 -2.116 -5.838 1.00 . A A . 12 GLN HE22 1 1
9 2041 1 1 12 GLN HG2 H 4.212 -2.320 -3.496 1.00 . A A . 12 GLN HG2 1 1
9 2042 1 1 12 GLN HG3 H 2.656 -2.274 -2.663 1.00 . A A . 12 GLN HG3 1 1
9 2043 1 1 12 GLN N N 3.956 -1.252 -0.512 1.00 . A A . 12 GLN N 1 1
9 2044 1 1 12 GLN NE2 N 1.380 -2.183 -4.906 1.00 . A A . 12 GLN NE2 1 1
9 2045 1 1 12 GLN O O 5.071 1.954 -1.951 1.00 . A A . 12 GLN O 1 1
9 2046 1 1 12 GLN OE1 O 3.123 -1.112 -5.753 1.00 . A A . 12 GLN OE1 1 1
9 2047 1 1 13 ABA C C 7.155 1.923 1.080 1.00 . A A . 13 AIB C 1 1
9 2048 1 1 13 ABA CA C 5.662 2.475 0.883 1.00 . A A . 13 AIB CA 1 1
9 2049 1 1 13 ABA N N 4.830 1.411 0.236 1.00 . A A . 13 AIB N 1 1
9 2050 1 1 13 ABA O O 8.075 2.479 0.462 1.00 . A A . 13 AIB O 1 1
9 2051 1 1 14 HYP C C 9.548 -0.309 0.711 1.00 . A A . 14 HYP C 1 1
9 2052 1 1 14 HYP CA C 8.869 0.298 1.973 1.00 . A A . 14 HYP CA 1 1
9 2053 1 1 14 HYP CB C 8.791 -0.729 3.123 1.00 . A A . 14 HYP CB 1 1
9 2054 1 1 14 HYP CD C 6.527 0.006 2.592 1.00 . A A . 14 HYP CD 1 1
9 2055 1 1 14 HYP CG C 7.316 -1.060 3.351 1.00 . A A . 14 HYP CG 1 1
9 2056 1 1 14 HYP HA H 9.511 1.133 2.323 1.00 . A A . 14 HYP HA 1 1
9 2057 1 1 14 HYP HB2 H 9.358 -1.654 2.903 1.00 . A A . 14 HYP HB2 1 1
9 2058 1 1 14 HYP HB3 H 9.243 -0.302 4.041 1.00 . A A . 14 HYP HB3 1 1
9 2059 1 1 14 HYP HD1 H 7.238 -0.149 5.041 1.00 . A A . 14 HYP HD1 1 1
9 2060 1 1 14 HYP HD22 H 5.817 -0.466 1.907 1.00 . A A . 14 HYP HD22 1 1
9 2061 1 1 14 HYP HD23 H 5.938 0.617 3.277 1.00 . A A . 14 HYP HD23 1 1
9 2062 1 1 14 HYP HG H 7.081 -2.063 2.952 1.00 . A A . 14 HYP HG 1 1
9 2063 1 1 14 HYP N N 7.486 0.822 1.841 1.00 . A A . 14 HYP N 1 1
9 2064 1 1 14 HYP O O 10.756 -0.101 0.575 1.00 . A A . 14 HYP O 1 1
9 2065 1 1 14 HYP OD1 O 7.001 -1.029 4.737 1.00 . A A . 14 HYP OD1 1 1
9 2066 1 1 15 ABA C C 10.085 -0.601 -2.389 1.00 . A A . 15 AIB C 1 1
9 2067 1 1 15 ABA CA C 9.438 -1.675 -1.411 1.00 . A A . 15 AIB CA 1 1
9 2068 1 1 15 ABA N N 8.845 -1.067 -0.175 1.00 . A A . 15 AIB N 1 1
9 2069 1 1 15 ABA O O 11.235 -0.810 -2.796 1.00 . A A . 15 AIB O 1 1
9 2070 1 1 16 PRO C C 11.201 2.489 -2.367 1.00 . A A . 16 PRO C 1 1
9 2071 1 1 16 PRO CA C 10.243 1.722 -3.320 1.00 . A A . 16 PRO CA 1 1
9 2072 1 1 16 PRO CB C 9.151 2.616 -3.934 1.00 . A A . 16 PRO CB 1 1
9 2073 1 1 16 PRO CD C 8.069 0.922 -2.524 1.00 . A A . 16 PRO CD 1 1
9 2074 1 1 16 PRO CG C 7.886 2.317 -3.135 1.00 . A A . 16 PRO CG 1 1
9 2075 1 1 16 PRO HA H 10.883 1.346 -4.119 1.00 . A A . 16 PRO HA 1 1
9 2076 1 1 16 PRO HB2 H 9.400 3.694 -3.920 1.00 . A A . 16 PRO HB2 1 1
9 2077 1 1 16 PRO HB3 H 8.996 2.351 -4.997 1.00 . A A . 16 PRO HB3 1 1
9 2078 1 1 16 PRO HD2 H 7.829 0.954 -1.452 1.00 . A A . 16 PRO HD2 1 1
9 2079 1 1 16 PRO HD3 H 7.393 0.167 -2.951 1.00 . A A . 16 PRO HD3 1 1
9 2080 1 1 16 PRO HG2 H 7.777 3.065 -2.330 1.00 . A A . 16 PRO HG2 1 1
9 2081 1 1 16 PRO HG3 H 6.979 2.395 -3.763 1.00 . A A . 16 PRO HG3 1 1
9 2082 1 1 16 PRO N N 9.483 0.580 -2.755 1.00 . A A . 16 PRO N 1 1
9 2083 1 1 16 PRO O O 12.188 3.040 -2.861 1.00 . A A . 16 PRO O 1 1
9 2084 1 1 17 PHL C C 12.135 2.719 1.113 1.00 . A A . 17 PHL C 1 1
9 2085 1 1 17 PHL CA C 11.627 3.475 -0.133 1.00 . A A . 17 PHL CA 1 1
9 2086 1 1 17 PHL CB C 10.685 4.647 0.258 1.00 . A A . 17 PHL CB 1 1
9 2087 1 1 17 PHL CD1 C 11.019 6.191 -1.766 1.00 . A A . 17 PHL CD1 1 1
9 2088 1 1 17 PHL CD2 C 8.768 5.644 -1.090 1.00 . A A . 17 PHL CD2 1 1
9 2089 1 1 17 PHL CE1 C 10.516 6.946 -2.825 1.00 . A A . 17 PHL CE1 1 1
9 2090 1 1 17 PHL CE2 C 8.265 6.397 -2.149 1.00 . A A . 17 PHL CE2 1 1
9 2091 1 1 17 PHL CG C 10.147 5.534 -0.892 1.00 . A A . 17 PHL CG 1 1
9 2092 1 1 17 PHL CZ C 9.140 7.052 -3.011 1.00 . A A . 17 PHL CZ 1 1
9 2093 1 1 17 PHL H2 H 10.027 2.086 -0.800 1.00 . A A . 17 PHL H2 1 1
9 2094 1 1 17 PHL HA H 12.519 3.908 -0.627 1.00 . A A . 17 PHL HA 1 1
9 2095 1 1 17 PHL HB2 H 9.843 4.208 0.826 1.00 . A A . 17 PHL HB2 1 1
9 2096 1 1 17 PHL HB3 H 11.213 5.298 0.977 1.00 . A A . 17 PHL HB3 1 1
9 2097 1 1 17 PHL HC1 H 12.556 1.731 0.843 1.00 . A A . 17 PHL HC1 1 1
9 2098 1 1 17 PHL HC2 H 11.312 2.517 1.826 1.00 . A A . 17 PHL HC2 1 1
9 2099 1 1 17 PHL HD1 H 12.088 6.092 -1.649 1.00 . A A . 17 PHL HD1 1 1
9 2100 1 1 17 PHL HD2 H 8.079 5.134 -0.435 1.00 . A A . 17 PHL HD2 1 1
9 2101 1 1 17 PHL HE1 H 11.193 7.441 -3.506 1.00 . A A . 17 PHL HE1 1 1
9 2102 1 1 17 PHL HE2 H 7.197 6.466 -2.303 1.00 . A A . 17 PHL HE2 1 1
9 2103 1 1 17 PHL HO H 12.826 4.364 1.829 1.00 . A A . 17 PHL HO 1 1
9 2104 1 1 17 PHL HZ H 8.751 7.640 -3.829 1.00 . A A . 17 PHL HZ 1 1
9 2105 1 1 17 PHL N N 10.910 2.554 -1.053 1.00 . A A . 17 PHL N 1 1
9 2106 1 1 17 PHL O O 13.155 3.465 1.762 1.00 . A A . 17 PHL O 1 1
10 2107 1 1 1 ACE C C -11.601 -1.907 -1.287 1.00 . A A . 1 ACE C 1 1
10 2108 1 1 1 ACE CH3 C -12.495 -3.105 -1.597 1.00 . A A . 1 ACE CH3 1 1
10 2109 1 1 1 ACE H1 H -13.525 -2.804 -1.865 1.00 . A A . 1 ACE H1 1 1
10 2110 1 1 1 ACE H2 H -12.096 -3.689 -2.447 1.00 . A A . 1 ACE H2 1 1
10 2111 1 1 1 ACE H3 H -12.549 -3.791 -0.731 1.00 . A A . 1 ACE H3 1 1
10 2112 1 1 1 ACE O O -10.458 -1.860 -1.745 1.00 . A A . 1 ACE O 1 1
10 2113 1 1 2 TRP C C -10.239 -0.095 1.006 1.00 . A A . 2 TRP C 1 1
10 2114 1 1 2 TRP CA C -11.358 0.232 -0.028 1.00 . A A . 2 TRP CA 1 1
10 2115 1 1 2 TRP CB C -12.300 1.355 0.499 1.00 . A A . 2 TRP CB 1 1
10 2116 1 1 2 TRP CD1 C -14.376 2.307 -0.802 1.00 . A A . 2 TRP CD1 1 1
10 2117 1 1 2 TRP CD2 C -12.411 3.169 -1.396 1.00 . A A . 2 TRP CD2 1 1
10 2118 1 1 2 TRP CE2 C -13.451 3.826 -2.102 1.00 . A A . 2 TRP CE2 1 1
10 2119 1 1 2 TRP CE3 C -11.061 3.575 -1.566 1.00 . A A . 2 TRP CE3 1 1
10 2120 1 1 2 TRP CG C -12.987 2.215 -0.572 1.00 . A A . 2 TRP CG 1 1
10 2121 1 1 2 TRP CH2 C -11.814 5.284 -3.129 1.00 . A A . 2 TRP CH2 1 1
10 2122 1 1 2 TRP CZ2 C -13.148 4.905 -2.970 1.00 . A A . 2 TRP CZ2 1 1
10 2123 1 1 2 TRP CZ3 C -10.786 4.626 -2.441 1.00 . A A . 2 TRP CZ3 1 1
10 2124 1 1 2 TRP H H -13.083 -1.150 -0.166 1.00 . A A . 2 TRP H 1 1
10 2125 1 1 2 TRP HA H -10.837 0.645 -0.914 1.00 . A A . 2 TRP HA 1 1
10 2126 1 1 2 TRP HB2 H -13.049 0.927 1.193 1.00 . A A . 2 TRP HB2 1 1
10 2127 1 1 2 TRP HB3 H -11.723 2.059 1.131 1.00 . A A . 2 TRP HB3 1 1
10 2128 1 1 2 TRP HD1 H -15.124 1.732 -0.274 1.00 . A A . 2 TRP HD1 1 1
10 2129 1 1 2 TRP HE1 H -15.611 3.602 -2.072 1.00 . A A . 2 TRP HE1 1 1
10 2130 1 1 2 TRP HE3 H -10.259 3.087 -1.030 1.00 . A A . 2 TRP HE3 1 1
10 2131 1 1 2 TRP HH2 H -11.570 6.105 -3.787 1.00 . A A . 2 TRP HH2 1 1
10 2132 1 1 2 TRP HZ2 H -13.932 5.437 -3.490 1.00 . A A . 2 TRP HZ2 1 1
10 2133 1 1 2 TRP HZ3 H -9.764 4.946 -2.582 1.00 . A A . 2 TRP HZ3 1 1
10 2134 1 1 2 TRP N N -12.126 -0.965 -0.482 1.00 . A A . 2 TRP N 1 1
10 2135 1 1 2 TRP NE1 N -14.684 3.296 -1.756 1.00 . A A . 2 TRP NE1 1 1
10 2136 1 1 2 TRP O O -9.080 0.238 0.752 1.00 . A A . 2 TRP O 1 1
10 2137 1 1 3 ILE C C -8.513 -2.218 2.618 1.00 . A A . 3 ILE C 1 1
10 2138 1 1 3 ILE CA C -9.531 -1.152 3.161 1.00 . A A . 3 ILE CA 1 1
10 2139 1 1 3 ILE CB C -10.144 -1.514 4.573 1.00 . A A . 3 ILE CB 1 1
10 2140 1 1 3 ILE CD1 C -12.669 -0.789 4.657 1.00 . A A . 3 ILE CD1 1 1
10 2141 1 1 3 ILE CG1 C -11.232 -0.540 5.143 1.00 . A A . 3 ILE CG1 1 1
10 2142 1 1 3 ILE CG2 C -9.046 -1.640 5.664 1.00 . A A . 3 ILE CG2 1 1
10 2143 1 1 3 ILE H H -11.545 -0.998 2.242 1.00 . A A . 3 ILE H 1 1
10 2144 1 1 3 ILE HA H -8.909 -0.249 3.299 1.00 . A A . 3 ILE HA 1 1
10 2145 1 1 3 ILE HB H -10.605 -2.516 4.493 1.00 . A A . 3 ILE HB 1 1
10 2146 1 1 3 ILE HD11 H -12.976 -1.838 4.818 1.00 . A A . 3 ILE HD11 1 1
10 2147 1 1 3 ILE HD12 H -13.386 -0.156 5.211 1.00 . A A . 3 ILE HD12 1 1
10 2148 1 1 3 ILE HD13 H -12.803 -0.560 3.587 1.00 . A A . 3 ILE HD13 1 1
10 2149 1 1 3 ILE HG12 H -11.287 -0.616 6.246 1.00 . A A . 3 ILE HG12 1 1
10 2150 1 1 3 ILE HG13 H -10.946 0.511 4.953 1.00 . A A . 3 ILE HG13 1 1
10 2151 1 1 3 ILE HG21 H -8.506 -0.685 5.820 1.00 . A A . 3 ILE HG21 1 1
10 2152 1 1 3 ILE HG22 H -9.468 -1.939 6.643 1.00 . A A . 3 ILE HG22 1 1
10 2153 1 1 3 ILE HG23 H -8.291 -2.407 5.416 1.00 . A A . 3 ILE HG23 1 1
10 2154 1 1 3 ILE N N -10.554 -0.751 2.144 1.00 . A A . 3 ILE N 1 1
10 2155 1 1 3 ILE O O -7.327 -2.099 2.931 1.00 . A A . 3 ILE O 1 1
10 2156 1 1 4 GLN C C -7.034 -3.215 0.025 1.00 . A A . 4 GLN C 1 1
10 2157 1 1 4 GLN CA C -8.001 -4.013 0.956 1.00 . A A . 4 GLN CA 1 1
10 2158 1 1 4 GLN CB C -8.818 -5.074 0.165 1.00 . A A . 4 GLN CB 1 1
10 2159 1 1 4 GLN CD C -8.776 -7.356 -1.058 1.00 . A A . 4 GLN CD 1 1
10 2160 1 1 4 GLN CG C -7.964 -6.256 -0.356 1.00 . A A . 4 GLN CG 1 1
10 2161 1 1 4 GLN H H -9.936 -3.145 1.555 1.00 . A A . 4 GLN H 1 1
10 2162 1 1 4 GLN HA H -7.365 -4.560 1.681 1.00 . A A . 4 GLN HA 1 1
10 2163 1 1 4 GLN HB2 H -9.612 -5.492 0.814 1.00 . A A . 4 GLN HB2 1 1
10 2164 1 1 4 GLN HB3 H -9.354 -4.594 -0.676 1.00 . A A . 4 GLN HB3 1 1
10 2165 1 1 4 GLN HE21 H -8.213 -8.699 0.324 1.00 . A A . 4 GLN HE21 1 1
10 2166 1 1 4 GLN HE22 H -9.320 -9.286 -1.015 1.00 . A A . 4 GLN HE22 1 1
10 2167 1 1 4 GLN HG2 H -7.213 -5.880 -1.076 1.00 . A A . 4 GLN HG2 1 1
10 2168 1 1 4 GLN HG3 H -7.371 -6.677 0.482 1.00 . A A . 4 GLN HG3 1 1
10 2169 1 1 4 GLN N N -8.933 -3.179 1.765 1.00 . A A . 4 GLN N 1 1
10 2170 1 1 4 GLN NE2 N -8.783 -8.566 -0.518 1.00 . A A . 4 GLN NE2 1 1
10 2171 1 1 4 GLN O O -5.857 -3.568 -0.008 1.00 . A A . 4 GLN O 1 1
10 2172 1 1 4 GLN OE1 O -9.391 -7.137 -2.101 1.00 . A A . 4 GLN OE1 1 1
10 2173 1 1 5 . C C -5.502 -0.572 -0.809 1.00 . A A . 5 DIV C 1 1
10 2174 1 1 5 . CA C -6.671 -1.303 -1.596 1.00 . A A . 5 DIV CA 1 1
10 2175 1 1 5 . CB1 C -6.127 -2.187 -2.769 1.00 . A A . 5 DIV CB1 1 1
10 2176 1 1 5 . CB2 C -7.590 -0.198 -2.199 1.00 . A A . 5 DIV CB2 1 1
10 2177 1 1 5 . CG1 C -7.098 -2.801 -3.801 1.00 . A A . 5 DIV CG1 1 1
10 2178 1 1 5 . H2 H -8.484 -1.946 -0.561 1.00 . A A . 5 DIV H2 1 1
10 2179 1 1 5 . HB11 H -5.400 -1.579 -3.297 1.00 . A A . 5 DIV HB11 1 1
10 2180 1 1 5 . HB12 H -5.518 -3.015 -2.368 1.00 . A A . 5 DIV HB12 1 1
10 2181 1 1 5 . HB21 H -8.039 0.459 -1.436 1.00 . A A . 5 DIV HB21 1 1
10 2182 1 1 5 . HB22 H -7.032 0.466 -2.886 1.00 . A A . 5 DIV HB22 1 1
10 2183 1 1 5 . HB23 H -8.437 -0.608 -2.778 1.00 . A A . 5 DIV HB23 1 1
10 2184 1 1 5 . HG11 H -7.604 -2.025 -4.403 1.00 . A A . 5 DIV HG11 1 1
10 2185 1 1 5 . HG12 H -6.556 -3.452 -4.509 1.00 . A A . 5 DIV HG12 1 1
10 2186 1 1 5 . HG13 H -7.879 -3.414 -3.316 1.00 . A A . 5 DIV HG13 1 1
10 2187 1 1 5 . N N -7.503 -2.174 -0.708 1.00 . A A . 5 DIV N 1 1
10 2188 1 1 5 . O O -4.333 -0.668 -1.198 1.00 . A A . 5 DIV O 1 1
10 2189 1 1 6 ILE C C -3.851 -0.421 1.924 1.00 . A A . 6 ILE C 1 1
10 2190 1 1 6 ILE CA C -4.760 0.676 1.249 1.00 . A A . 6 ILE CA 1 1
10 2191 1 1 6 ILE CB C -5.432 1.686 2.255 1.00 . A A . 6 ILE CB 1 1
10 2192 1 1 6 ILE CD1 C -7.533 3.161 1.831 1.00 . A A . 6 ILE CD1 1 1
10 2193 1 1 6 ILE CG1 C -6.040 2.950 1.551 1.00 . A A . 6 ILE CG1 1 1
10 2194 1 1 6 ILE CG2 C -4.528 2.187 3.415 1.00 . A A . 6 ILE CG2 1 1
10 2195 1 1 6 ILE H H -6.796 0.116 0.568 1.00 . A A . 6 ILE H 1 1
10 2196 1 1 6 ILE HA H -4.069 1.279 0.626 1.00 . A A . 6 ILE HA 1 1
10 2197 1 1 6 ILE HB H -6.244 1.124 2.757 1.00 . A A . 6 ILE HB 1 1
10 2198 1 1 6 ILE HD11 H -7.764 3.113 2.911 1.00 . A A . 6 ILE HD11 1 1
10 2199 1 1 6 ILE HD12 H -7.879 4.143 1.461 1.00 . A A . 6 ILE HD12 1 1
10 2200 1 1 6 ILE HD13 H -8.144 2.396 1.327 1.00 . A A . 6 ILE HD13 1 1
10 2201 1 1 6 ILE HG12 H -5.506 3.878 1.834 1.00 . A A . 6 ILE HG12 1 1
10 2202 1 1 6 ILE HG13 H -5.898 2.907 0.454 1.00 . A A . 6 ILE HG13 1 1
10 2203 1 1 6 ILE HG21 H -3.625 2.709 3.044 1.00 . A A . 6 ILE HG21 1 1
10 2204 1 1 6 ILE HG22 H -5.064 2.896 4.074 1.00 . A A . 6 ILE HG22 1 1
10 2205 1 1 6 ILE HG23 H -4.187 1.363 4.068 1.00 . A A . 6 ILE HG23 1 1
10 2206 1 1 6 ILE N N -5.800 0.119 0.318 1.00 . A A . 6 ILE N 1 1
10 2207 1 1 6 ILE O O -2.690 -0.118 2.209 1.00 . A A . 6 ILE O 1 1
10 2208 1 1 7 THR C C -2.492 -3.342 1.561 1.00 . A A . 7 THR C 1 1
10 2209 1 1 7 THR CA C -3.504 -2.805 2.622 1.00 . A A . 7 THR CA 1 1
10 2210 1 1 7 THR CB C -4.410 -3.897 3.266 1.00 . A A . 7 THR CB 1 1
10 2211 1 1 7 THR CG2 C -3.678 -5.127 3.836 1.00 . A A . 7 THR CG2 1 1
10 2212 1 1 7 THR H H -5.312 -1.795 1.869 1.00 . A A . 7 THR H 1 1
10 2213 1 1 7 THR HA H -2.882 -2.413 3.440 1.00 . A A . 7 THR HA 1 1
10 2214 1 1 7 THR HB H -5.136 -4.254 2.512 1.00 . A A . 7 THR HB 1 1
10 2215 1 1 7 THR HG1 H -5.187 -2.386 4.163 1.00 . A A . 7 THR HG1 1 1
10 2216 1 1 7 THR HG21 H -4.385 -5.812 4.340 1.00 . A A . 7 THR HG21 1 1
10 2217 1 1 7 THR HG22 H -3.173 -5.712 3.045 1.00 . A A . 7 THR HG22 1 1
10 2218 1 1 7 THR HG23 H -2.911 -4.838 4.579 1.00 . A A . 7 THR HG23 1 1
10 2219 1 1 7 THR N N -4.335 -1.662 2.149 1.00 . A A . 7 THR N 1 1
10 2220 1 1 7 THR O O -1.334 -3.515 1.933 1.00 . A A . 7 THR O 1 1
10 2221 1 1 7 THR OG1 O -5.133 -3.327 4.354 1.00 . A A . 7 THR OG1 1 1
10 2222 1 1 8 ABA C C -0.813 -2.717 -1.048 1.00 . A A . 8 AIB C 1 1
10 2223 1 1 8 ABA CA C -1.910 -3.843 -0.848 1.00 . A A . 8 AIB CA 1 1
10 2224 1 1 8 ABA N N -2.876 -3.576 0.282 1.00 . A A . 8 AIB N 1 1
10 2225 1 1 8 ABA O O 0.363 -3.000 -1.304 1.00 . A A . 8 AIB O 1 1
10 2226 1 1 9 LEU C C 0.561 -0.018 0.320 1.00 . A A . 9 LEU C 1 1
10 2227 1 1 9 LEU CA C -0.312 -0.264 -0.956 1.00 . A A . 9 LEU CA 1 1
10 2228 1 1 9 LEU CB C -1.176 0.971 -1.341 1.00 . A A . 9 LEU CB 1 1
10 2229 1 1 9 LEU CD1 C -2.867 1.949 -3.021 1.00 . A A . 9 LEU CD1 1 1
10 2230 1 1 9 LEU CD2 C -0.508 1.471 -3.773 1.00 . A A . 9 LEU CD2 1 1
10 2231 1 1 9 LEU CG C -1.646 1.030 -2.829 1.00 . A A . 9 LEU CG 1 1
10 2232 1 1 9 LEU H H -2.203 -1.339 -0.647 1.00 . A A . 9 LEU H 1 1
10 2233 1 1 9 LEU HA H 0.411 -0.405 -1.780 1.00 . A A . 9 LEU HA 1 1
10 2234 1 1 9 LEU HB2 H -2.049 1.018 -0.663 1.00 . A A . 9 LEU HB2 1 1
10 2235 1 1 9 LEU HB3 H -0.614 1.897 -1.119 1.00 . A A . 9 LEU HB3 1 1
10 2236 1 1 9 LEU HD11 H -2.659 2.992 -2.715 1.00 . A A . 9 LEU HD11 1 1
10 2237 1 1 9 LEU HD12 H -3.194 1.976 -4.079 1.00 . A A . 9 LEU HD12 1 1
10 2238 1 1 9 LEU HD13 H -3.739 1.603 -2.434 1.00 . A A . 9 LEU HD13 1 1
10 2239 1 1 9 LEU HD21 H 0.372 0.806 -3.702 1.00 . A A . 9 LEU HD21 1 1
10 2240 1 1 9 LEU HD22 H -0.825 1.462 -4.834 1.00 . A A . 9 LEU HD22 1 1
10 2241 1 1 9 LEU HD23 H -0.158 2.495 -3.540 1.00 . A A . 9 LEU HD23 1 1
10 2242 1 1 9 LEU HG H -1.969 0.022 -3.142 1.00 . A A . 9 LEU HG 1 1
10 2243 1 1 9 LEU N N -1.219 -1.441 -0.917 1.00 . A A . 9 LEU N 1 1
10 2244 1 1 9 LEU O O 1.543 0.720 0.206 1.00 . A A . 9 LEU O 1 1
10 2245 1 1 10 ABA C C 2.553 -1.152 2.522 1.00 . A A . 10 AIB C 1 1
10 2246 1 1 10 ABA CA C 1.091 -0.562 2.750 1.00 . A A . 10 AIB CA 1 1
10 2247 1 1 10 ABA N N 0.254 -0.622 1.504 1.00 . A A . 10 AIB N 1 1
10 2248 1 1 10 ABA O O 3.505 -0.405 2.766 1.00 . A A . 10 AIB O 1 1
10 2249 1 1 11 HYP C C 4.728 -2.066 0.208 1.00 . A A . 11 HYP C 1 1
10 2250 1 1 11 HYP CA C 4.179 -2.788 1.486 1.00 . A A . 11 HYP CA 1 1
10 2251 1 1 11 HYP CB C 4.044 -4.311 1.288 1.00 . A A . 11 HYP CB 1 1
10 2252 1 1 11 HYP CD C 1.860 -3.490 1.869 1.00 . A A . 11 HYP CD 1 1
10 2253 1 1 11 HYP CG C 2.558 -4.558 1.030 1.00 . A A . 11 HYP CG 1 1
10 2254 1 1 11 HYP HA H 4.920 -2.626 2.289 1.00 . A A . 11 HYP HA 1 1
10 2255 1 1 11 HYP HB2 H 4.678 -4.713 0.474 1.00 . A A . 11 HYP HB2 1 1
10 2256 1 1 11 HYP HB3 H 4.359 -4.840 2.208 1.00 . A A . 11 HYP HB3 1 1
10 2257 1 1 11 HYP HD1 H 1.199 -5.827 1.516 1.00 . A A . 11 HYP HD1 1 1
10 2258 1 1 11 HYP HD22 H 0.940 -3.172 1.363 1.00 . A A . 11 HYP HD22 1 1
10 2259 1 1 11 HYP HD23 H 1.603 -3.883 2.874 1.00 . A A . 11 HYP HD23 1 1
10 2260 1 1 11 HYP HG H 2.332 -4.414 -0.046 1.00 . A A . 11 HYP HG 1 1
10 2261 1 1 11 HYP N N 2.832 -2.396 1.997 1.00 . A A . 11 HYP N 1 1
10 2262 1 1 11 HYP O O 5.909 -2.269 -0.098 1.00 . A A . 11 HYP O 1 1
10 2263 1 1 11 HYP OD1 O 2.156 -5.859 1.439 1.00 . A A . 11 HYP OD1 1 1
10 2264 1 1 12 GLN C C 4.820 1.186 -0.993 1.00 . A A . 12 GLN C 1 1
10 2265 1 1 12 GLN CA C 4.496 -0.254 -1.502 1.00 . A A . 12 GLN CA 1 1
10 2266 1 1 12 GLN CB C 3.541 -0.187 -2.724 1.00 . A A . 12 GLN CB 1 1
10 2267 1 1 12 GLN CD C 2.437 -1.380 -4.714 1.00 . A A . 12 GLN CD 1 1
10 2268 1 1 12 GLN CG C 3.186 -1.538 -3.375 1.00 . A A . 12 GLN CG 1 1
10 2269 1 1 12 GLN H H 3.026 -1.005 -0.098 1.00 . A A . 12 GLN H 1 1
10 2270 1 1 12 GLN HA H 5.469 -0.638 -1.843 1.00 . A A . 12 GLN HA 1 1
10 2271 1 1 12 GLN HB2 H 2.608 0.337 -2.452 1.00 . A A . 12 GLN HB2 1 1
10 2272 1 1 12 GLN HB3 H 4.011 0.457 -3.489 1.00 . A A . 12 GLN HB3 1 1
10 2273 1 1 12 GLN HE21 H 0.853 -2.386 -3.996 1.00 . A A . 12 GLN HE21 1 1
10 2274 1 1 12 GLN HE22 H 0.781 -1.791 -5.736 1.00 . A A . 12 GLN HE22 1 1
10 2275 1 1 12 GLN HG2 H 4.111 -2.122 -3.535 1.00 . A A . 12 GLN HG2 1 1
10 2276 1 1 12 GLN HG3 H 2.593 -2.114 -2.632 1.00 . A A . 12 GLN HG3 1 1
10 2277 1 1 12 GLN N N 3.956 -1.191 -0.477 1.00 . A A . 12 GLN N 1 1
10 2278 1 1 12 GLN NE2 N 1.225 -1.898 -4.822 1.00 . A A . 12 GLN NE2 1 1
10 2279 1 1 12 GLN O O 5.068 2.053 -1.832 1.00 . A A . 12 GLN O 1 1
10 2280 1 1 12 GLN OE1 O 2.942 -0.797 -5.670 1.00 . A A . 12 GLN OE1 1 1
10 2281 1 1 13 ABA C C 7.242 1.883 1.111 1.00 . A A . 13 AIB C 1 1
10 2282 1 1 13 ABA CA C 5.752 2.466 0.996 1.00 . A A . 13 AIB CA 1 1
10 2283 1 1 13 ABA N N 4.887 1.436 0.338 1.00 . A A . 13 AIB N 1 1
10 2284 1 1 13 ABA O O 8.145 2.442 0.472 1.00 . A A . 13 AIB O 1 1
10 2285 1 1 14 HYP C C 9.603 -0.364 0.592 1.00 . A A . 14 HYP C 1 1
10 2286 1 1 14 HYP CA C 8.966 0.215 1.893 1.00 . A A . 14 HYP CA 1 1
10 2287 1 1 14 HYP CB C 8.917 -0.842 3.017 1.00 . A A . 14 HYP CB 1 1
10 2288 1 1 14 HYP CD C 6.645 -0.074 2.585 1.00 . A A . 14 HYP CD 1 1
10 2289 1 1 14 HYP CG C 7.449 -1.170 3.283 1.00 . A A . 14 HYP CG 1 1
10 2290 1 1 14 HYP HA H 9.627 1.032 2.246 1.00 . A A . 14 HYP HA 1 1
10 2291 1 1 14 HYP HB2 H 9.471 -1.764 2.757 1.00 . A A . 14 HYP HB2 1 1
10 2292 1 1 14 HYP HB3 H 9.400 -0.441 3.930 1.00 . A A . 14 HYP HB3 1 1
10 2293 1 1 14 HYP HD1 H 7.441 -0.318 5.004 1.00 . A A . 14 HYP HD1 1 1
10 2294 1 1 14 HYP HD22 H 5.905 -0.519 1.913 1.00 . A A . 14 HYP HD22 1 1
10 2295 1 1 14 HYP HD23 H 6.088 0.517 3.312 1.00 . A A . 14 HYP HD23 1 1
10 2296 1 1 14 HYP HG H 7.195 -2.158 2.861 1.00 . A A . 14 HYP HG 1 1
10 2297 1 1 14 HYP N N 7.585 0.755 1.823 1.00 . A A . 14 HYP N 1 1
10 2298 1 1 14 HYP O O 10.811 -0.173 0.426 1.00 . A A . 14 HYP O 1 1
10 2299 1 1 14 HYP OD1 O 7.181 -1.184 4.680 1.00 . A A . 14 HYP OD1 1 1
10 2300 1 1 15 ABA C C 10.023 -0.553 -2.532 1.00 . A A . 15 AIB C 1 1
10 2301 1 1 15 ABA CA C 9.397 -1.652 -1.569 1.00 . A A . 15 AIB CA 1 1
10 2302 1 1 15 ABA N N 8.856 -1.081 -0.292 1.00 . A A . 15 AIB N 1 1
10 2303 1 1 15 ABA O O 11.163 -0.755 -2.974 1.00 . A A . 15 AIB O 1 1
10 2304 1 1 16 PRO C C 11.147 2.544 -2.472 1.00 . A A . 16 PRO C 1 1
10 2305 1 1 16 PRO CA C 10.164 1.793 -3.413 1.00 . A A . 16 PRO CA 1 1
10 2306 1 1 16 PRO CB C 9.055 2.698 -3.978 1.00 . A A . 16 PRO CB 1 1
10 2307 1 1 16 PRO CD C 8.013 0.980 -2.566 1.00 . A A . 16 PRO CD 1 1
10 2308 1 1 16 PRO CG C 7.804 2.376 -3.166 1.00 . A A . 16 PRO CG 1 1
10 2309 1 1 16 PRO HA H 10.782 1.431 -4.238 1.00 . A A . 16 PRO HA 1 1
10 2310 1 1 16 PRO HB2 H 9.303 3.776 -3.937 1.00 . A A . 16 PRO HB2 1 1
10 2311 1 1 16 PRO HB3 H 8.881 2.462 -5.044 1.00 . A A . 16 PRO HB3 1 1
10 2312 1 1 16 PRO HD2 H 7.813 1.006 -1.485 1.00 . A A . 16 PRO HD2 1 1
10 2313 1 1 16 PRO HD3 H 7.320 0.230 -2.973 1.00 . A A . 16 PRO HD3 1 1
10 2314 1 1 16 PRO HG2 H 7.685 3.119 -2.357 1.00 . A A . 16 PRO HG2 1 1
10 2315 1 1 16 PRO HG3 H 6.892 2.435 -3.787 1.00 . A A . 16 PRO HG3 1 1
10 2316 1 1 16 PRO N N 9.416 0.640 -2.851 1.00 . A A . 16 PRO N 1 1
10 2317 1 1 16 PRO O O 12.094 3.144 -2.986 1.00 . A A . 16 PRO O 1 1
10 2318 1 1 17 PHL C C 12.251 2.605 0.954 1.00 . A A . 17 PHL C 1 1
10 2319 1 1 17 PHL CA C 11.671 3.428 -0.214 1.00 . A A . 17 PHL CA 1 1
10 2320 1 1 17 PHL CB C 10.752 4.582 0.267 1.00 . A A . 17 PHL CB 1 1
10 2321 1 1 17 PHL CD1 C 11.136 6.288 -1.599 1.00 . A A . 17 PHL CD1 1 1
10 2322 1 1 17 PHL CD2 C 8.870 5.614 -1.113 1.00 . A A . 17 PHL CD2 1 1
10 2323 1 1 17 PHL CE1 C 10.674 7.099 -2.635 1.00 . A A . 17 PHL CE1 1 1
10 2324 1 1 17 PHL CE2 C 8.407 6.430 -2.145 1.00 . A A . 17 PHL CE2 1 1
10 2325 1 1 17 PHL CG C 10.237 5.540 -0.833 1.00 . A A . 17 PHL CG 1 1
10 2326 1 1 17 PHL CZ C 9.309 7.174 -2.900 1.00 . A A . 17 PHL CZ 1 1
10 2327 1 1 17 PHL H2 H 10.037 2.074 -0.877 1.00 . A A . 17 PHL H2 1 1
10 2328 1 1 17 PHL HA H 12.542 3.887 -0.721 1.00 . A A . 17 PHL HA 1 1
10 2329 1 1 17 PHL HB2 H 9.907 4.135 0.824 1.00 . A A . 17 PHL HB2 1 1
10 2330 1 1 17 PHL HB3 H 11.303 5.186 1.011 1.00 . A A . 17 PHL HB3 1 1
10 2331 1 1 17 PHL HC1 H 12.786 1.712 0.577 1.00 . A A . 17 PHL HC1 1 1
10 2332 1 1 17 PHL HC2 H 11.453 2.233 1.621 1.00 . A A . 17 PHL HC2 1 1
10 2333 1 1 17 PHL HD1 H 12.198 6.205 -1.425 1.00 . A A . 17 PHL HD1 1 1
10 2334 1 1 17 PHL HD2 H 8.166 5.017 -0.556 1.00 . A A . 17 PHL HD2 1 1
10 2335 1 1 17 PHL HE1 H 11.376 7.656 -3.235 1.00 . A A . 17 PHL HE1 1 1
10 2336 1 1 17 PHL HE2 H 7.351 6.475 -2.362 1.00 . A A . 17 PHL HE2 1 1
10 2337 1 1 17 PHL HO H 13.838 3.683 1.091 1.00 . A A . 17 PHL HO 1 1
10 2338 1 1 17 PHL HZ H 8.951 7.808 -3.697 1.00 . A A . 17 PHL HZ 1 1
10 2339 1 1 17 PHL N N 10.916 2.546 -1.144 1.00 . A A . 17 PHL N 1 1
10 2340 1 1 17 PHL O O 13.166 3.388 1.712 1.00 . A A . 17 PHL O 1 1
11 2341 1 1 1 ACE C C -11.679 -1.578 -1.144 1.00 . A A . 1 ACE C 1 1
11 2342 1 1 1 ACE CH3 C -12.639 -2.740 -1.402 1.00 . A A . 1 ACE CH3 1 1
11 2343 1 1 1 ACE H1 H -13.658 -2.392 -1.657 1.00 . A A . 1 ACE H1 1 1
11 2344 1 1 1 ACE H2 H -12.287 -3.361 -2.246 1.00 . A A . 1 ACE H2 1 1
11 2345 1 1 1 ACE H3 H -12.715 -3.402 -0.518 1.00 . A A . 1 ACE H3 1 1
11 2346 1 1 1 ACE O O -10.540 -1.601 -1.617 1.00 . A A . 1 ACE O 1 1
11 2347 1 1 2 TRP C C -10.159 0.273 1.012 1.00 . A A . 2 TRP C 1 1
11 2348 1 1 2 TRP CA C -11.318 0.603 0.025 1.00 . A A . 2 TRP CA 1 1
11 2349 1 1 2 TRP CB C -12.237 1.735 0.580 1.00 . A A . 2 TRP CB 1 1
11 2350 1 1 2 TRP CD1 C -13.694 2.397 -1.512 1.00 . A A . 2 TRP CD1 1 1
11 2351 1 1 2 TRP CD2 C -12.613 4.083 -0.538 1.00 . A A . 2 TRP CD2 1 1
11 2352 1 1 2 TRP CE2 C -13.391 4.576 -1.615 1.00 . A A . 2 TRP CE2 1 1
11 2353 1 1 2 TRP CE3 C -11.861 4.977 0.272 1.00 . A A . 2 TRP CE3 1 1
11 2354 1 1 2 TRP CG C -12.801 2.711 -0.464 1.00 . A A . 2 TRP CG 1 1
11 2355 1 1 2 TRP CH2 C -12.698 6.830 -1.068 1.00 . A A . 2 TRP CH2 1 1
11 2356 1 1 2 TRP CZ2 C -13.439 5.968 -1.880 1.00 . A A . 2 TRP CZ2 1 1
11 2357 1 1 2 TRP CZ3 C -11.920 6.342 -0.013 1.00 . A A . 2 TRP CZ3 1 1
11 2358 1 1 2 TRP H H -13.106 -0.708 -0.036 1.00 . A A . 2 TRP H 1 1
11 2359 1 1 2 TRP HA H -10.823 0.983 -0.892 1.00 . A A . 2 TRP HA 1 1
11 2360 1 1 2 TRP HB2 H -13.069 1.304 1.170 1.00 . A A . 2 TRP HB2 1 1
11 2361 1 1 2 TRP HB3 H -11.683 2.330 1.331 1.00 . A A . 2 TRP HB3 1 1
11 2362 1 1 2 TRP HD1 H -14.066 1.405 -1.722 1.00 . A A . 2 TRP HD1 1 1
11 2363 1 1 2 TRP HE1 H -14.706 3.600 -3.042 1.00 . A A . 2 TRP HE1 1 1
11 2364 1 1 2 TRP HE3 H -11.264 4.621 1.099 1.00 . A A . 2 TRP HE3 1 1
11 2365 1 1 2 TRP HH2 H -12.736 7.895 -1.253 1.00 . A A . 2 TRP HH2 1 1
11 2366 1 1 2 TRP HZ2 H -14.049 6.361 -2.680 1.00 . A A . 2 TRP HZ2 1 1
11 2367 1 1 2 TRP HZ3 H -11.363 7.037 0.600 1.00 . A A . 2 TRP HZ3 1 1
11 2368 1 1 2 TRP N N -12.142 -0.583 -0.369 1.00 . A A . 2 TRP N 1 1
11 2369 1 1 2 TRP NE1 N -14.062 3.540 -2.246 1.00 . A A . 2 TRP NE1 1 1
11 2370 1 1 2 TRP O O -9.003 0.603 0.727 1.00 . A A . 2 TRP O 1 1
11 2371 1 1 3 ILE C C -8.462 -1.939 2.523 1.00 . A A . 3 ILE C 1 1
11 2372 1 1 3 ILE CA C -9.415 -0.848 3.119 1.00 . A A . 3 ILE CA 1 1
11 2373 1 1 3 ILE CB C -10.051 -1.250 4.507 1.00 . A A . 3 ILE CB 1 1
11 2374 1 1 3 ILE CD1 C -12.056 -0.728 6.094 1.00 . A A . 3 ILE CD1 1 1
11 2375 1 1 3 ILE CG1 C -10.965 -0.164 5.167 1.00 . A A . 3 ILE CG1 1 1
11 2376 1 1 3 ILE CG2 C -8.982 -1.666 5.555 1.00 . A A . 3 ILE CG2 1 1
11 2377 1 1 3 ILE H H -11.452 -0.610 2.274 1.00 . A A . 3 ILE H 1 1
11 2378 1 1 3 ILE HA H -8.757 0.025 3.271 1.00 . A A . 3 ILE HA 1 1
11 2379 1 1 3 ILE HB H -10.676 -2.144 4.313 1.00 . A A . 3 ILE HB 1 1
11 2380 1 1 3 ILE HD11 H -11.638 -1.334 6.920 1.00 . A A . 3 ILE HD11 1 1
11 2381 1 1 3 ILE HD12 H -12.644 0.086 6.554 1.00 . A A . 3 ILE HD12 1 1
11 2382 1 1 3 ILE HD13 H -12.765 -1.371 5.540 1.00 . A A . 3 ILE HD13 1 1
11 2383 1 1 3 ILE HG12 H -10.351 0.571 5.723 1.00 . A A . 3 ILE HG12 1 1
11 2384 1 1 3 ILE HG13 H -11.485 0.442 4.403 1.00 . A A . 3 ILE HG13 1 1
11 2385 1 1 3 ILE HG21 H -8.261 -0.848 5.746 1.00 . A A . 3 ILE HG21 1 1
11 2386 1 1 3 ILE HG22 H -9.429 -1.941 6.528 1.00 . A A . 3 ILE HG22 1 1
11 2387 1 1 3 ILE HG23 H -8.398 -2.547 5.228 1.00 . A A . 3 ILE HG23 1 1
11 2388 1 1 3 ILE N N -10.457 -0.387 2.152 1.00 . A A . 3 ILE N 1 1
11 2389 1 1 3 ILE O O -7.256 -1.867 2.771 1.00 . A A . 3 ILE O 1 1
11 2390 1 1 4 GLN C C -7.159 -3.215 -0.082 1.00 . A A . 4 GLN C 1 1
11 2391 1 1 4 GLN CA C -8.144 -3.850 0.942 1.00 . A A . 4 GLN CA 1 1
11 2392 1 1 4 GLN CB C -9.078 -4.896 0.271 1.00 . A A . 4 GLN CB 1 1
11 2393 1 1 4 GLN CD C -9.683 -7.417 0.164 1.00 . A A . 4 GLN CD 1 1
11 2394 1 1 4 GLN CG C -8.591 -6.360 0.417 1.00 . A A . 4 GLN CG 1 1
11 2395 1 1 4 GLN H H -9.985 -2.809 1.558 1.00 . A A . 4 GLN H 1 1
11 2396 1 1 4 GLN HA H -7.513 -4.366 1.692 1.00 . A A . 4 GLN HA 1 1
11 2397 1 1 4 GLN HB2 H -10.098 -4.841 0.704 1.00 . A A . 4 GLN HB2 1 1
11 2398 1 1 4 GLN HB3 H -9.244 -4.671 -0.800 1.00 . A A . 4 GLN HB3 1 1
11 2399 1 1 4 GLN HE21 H -10.119 -7.473 2.124 1.00 . A A . 4 GLN HE21 1 1
11 2400 1 1 4 GLN HE22 H -11.072 -8.590 1.026 1.00 . A A . 4 GLN HE22 1 1
11 2401 1 1 4 GLN HG2 H -7.747 -6.542 -0.272 1.00 . A A . 4 GLN HG2 1 1
11 2402 1 1 4 GLN HG3 H -8.165 -6.520 1.430 1.00 . A A . 4 GLN HG3 1 1
11 2403 1 1 4 GLN N N -8.976 -2.894 1.722 1.00 . A A . 4 GLN N 1 1
11 2404 1 1 4 GLN NE2 N -10.362 -7.872 1.210 1.00 . A A . 4 GLN NE2 1 1
11 2405 1 1 4 GLN O O -6.031 -3.699 -0.189 1.00 . A A . 4 GLN O 1 1
11 2406 1 1 4 GLN OE1 O -9.922 -7.838 -0.966 1.00 . A A . 4 GLN OE1 1 1
11 2407 1 1 5 . C C -5.510 -0.634 -0.921 1.00 . A A . 5 DIV C 1 1
11 2408 1 1 5 . CA C -6.707 -1.321 -1.702 1.00 . A A . 5 DIV CA 1 1
11 2409 1 1 5 . CB1 C -6.203 -2.213 -2.882 1.00 . A A . 5 DIV CB1 1 1
11 2410 1 1 5 . CB2 C -7.581 -0.170 -2.293 1.00 . A A . 5 DIV CB2 1 1
11 2411 1 1 5 . CG1 C -7.179 -2.756 -3.945 1.00 . A A . 5 DIV CG1 1 1
11 2412 1 1 5 . H2 H -8.496 -1.806 -0.559 1.00 . A A . 5 DIV H2 1 1
11 2413 1 1 5 . HB11 H -5.456 -1.614 -3.386 1.00 . A A . 5 DIV HB11 1 1
11 2414 1 1 5 . HB12 H -5.624 -3.071 -2.500 1.00 . A A . 5 DIV HB12 1 1
11 2415 1 1 5 . HB21 H -8.004 0.487 -1.515 1.00 . A A . 5 DIV HB21 1 1
11 2416 1 1 5 . HB22 H -6.997 0.485 -2.970 1.00 . A A . 5 DIV HB22 1 1
11 2417 1 1 5 . HB23 H -8.443 -0.539 -2.878 1.00 . A A . 5 DIV HB23 1 1
11 2418 1 1 5 . HG11 H -7.656 -1.942 -4.519 1.00 . A A . 5 DIV HG11 1 1
11 2419 1 1 5 . HG12 H -6.643 -3.386 -4.678 1.00 . A A . 5 DIV HG12 1 1
11 2420 1 1 5 . HG13 H -7.982 -3.370 -3.498 1.00 . A A . 5 DIV HG13 1 1
11 2421 1 1 5 . N N -7.572 -2.150 -0.811 1.00 . A A . 5 DIV N 1 1
11 2422 1 1 5 . O O -4.349 -0.754 -1.324 1.00 . A A . 5 DIV O 1 1
11 2423 1 1 6 ILE C C -3.836 -0.500 1.819 1.00 . A A . 6 ILE C 1 1
11 2424 1 1 6 ILE CA C -4.703 0.612 1.110 1.00 . A A . 6 ILE CA 1 1
11 2425 1 1 6 ILE CB C -5.321 1.672 2.098 1.00 . A A . 6 ILE CB 1 1
11 2426 1 1 6 ILE CD1 C -7.316 3.325 2.144 1.00 . A A . 6 ILE CD1 1 1
11 2427 1 1 6 ILE CG1 C -6.059 2.860 1.392 1.00 . A A . 6 ILE CG1 1 1
11 2428 1 1 6 ILE CG2 C -4.311 2.298 3.101 1.00 . A A . 6 ILE CG2 1 1
11 2429 1 1 6 ILE H H -6.768 0.077 0.477 1.00 . A A . 6 ILE H 1 1
11 2430 1 1 6 ILE HA H -3.996 1.171 0.464 1.00 . A A . 6 ILE HA 1 1
11 2431 1 1 6 ILE HB H -6.059 1.117 2.708 1.00 . A A . 6 ILE HB 1 1
11 2432 1 1 6 ILE HD11 H -7.085 3.673 3.167 1.00 . A A . 6 ILE HD11 1 1
11 2433 1 1 6 ILE HD12 H -7.815 4.159 1.617 1.00 . A A . 6 ILE HD12 1 1
11 2434 1 1 6 ILE HD13 H -8.056 2.509 2.236 1.00 . A A . 6 ILE HD13 1 1
11 2435 1 1 6 ILE HG12 H -5.381 3.723 1.235 1.00 . A A . 6 ILE HG12 1 1
11 2436 1 1 6 ILE HG13 H -6.370 2.591 0.367 1.00 . A A . 6 ILE HG13 1 1
11 2437 1 1 6 ILE HG21 H -3.459 2.784 2.589 1.00 . A A . 6 ILE HG21 1 1
11 2438 1 1 6 ILE HG22 H -4.781 3.071 3.739 1.00 . A A . 6 ILE HG22 1 1
11 2439 1 1 6 ILE HG23 H -3.890 1.550 3.796 1.00 . A A . 6 ILE HG23 1 1
11 2440 1 1 6 ILE N N -5.776 0.058 0.215 1.00 . A A . 6 ILE N 1 1
11 2441 1 1 6 ILE O O -2.693 -0.213 2.184 1.00 . A A . 6 ILE O 1 1
11 2442 1 1 7 THR C C -2.549 -3.454 1.382 1.00 . A A . 7 THR C 1 1
11 2443 1 1 7 THR CA C -3.545 -2.916 2.453 1.00 . A A . 7 THR CA 1 1
11 2444 1 1 7 THR CB C -4.491 -3.995 3.063 1.00 . A A . 7 THR CB 1 1
11 2445 1 1 7 THR CG2 C -3.798 -5.252 3.624 1.00 . A A . 7 THR CG2 1 1
11 2446 1 1 7 THR H H -5.283 -1.865 1.600 1.00 . A A . 7 THR H 1 1
11 2447 1 1 7 THR HA H -2.914 -2.563 3.281 1.00 . A A . 7 THR HA 1 1
11 2448 1 1 7 THR HB H -5.205 -4.328 2.288 1.00 . A A . 7 THR HB 1 1
11 2449 1 1 7 THR HG1 H -5.615 -2.614 3.794 1.00 . A A . 7 THR HG1 1 1
11 2450 1 1 7 THR HG21 H -4.528 -5.928 4.108 1.00 . A A . 7 THR HG21 1 1
11 2451 1 1 7 THR HG22 H -3.304 -5.836 2.826 1.00 . A A . 7 THR HG22 1 1
11 2452 1 1 7 THR HG23 H -3.031 -5.001 4.379 1.00 . A A . 7 THR HG23 1 1
11 2453 1 1 7 THR N N -4.338 -1.745 1.983 1.00 . A A . 7 THR N 1 1
11 2454 1 1 7 THR O O -1.381 -3.619 1.728 1.00 . A A . 7 THR O 1 1
11 2455 1 1 7 THR OG1 O -5.234 -3.427 4.137 1.00 . A A . 7 THR OG1 1 1
11 2456 1 1 8 ABA C C -0.886 -2.830 -1.217 1.00 . A A . 8 AIB C 1 1
11 2457 1 1 8 ABA CA C -2.005 -3.937 -1.038 1.00 . A A . 8 AIB CA 1 1
11 2458 1 1 8 ABA N N -2.956 -3.693 0.111 1.00 . A A . 8 AIB N 1 1
11 2459 1 1 8 ABA O O 0.284 -3.128 -1.482 1.00 . A A . 8 AIB O 1 1
11 2460 1 1 9 LEU C C 0.519 -0.128 0.171 1.00 . A A . 9 LEU C 1 1
11 2461 1 1 9 LEU CA C -0.342 -0.385 -1.112 1.00 . A A . 9 LEU CA 1 1
11 2462 1 1 9 LEU CB C -1.181 0.854 -1.534 1.00 . A A . 9 LEU CB 1 1
11 2463 1 1 9 LEU CD1 C -2.838 1.800 -3.268 1.00 . A A . 9 LEU CD1 1 1
11 2464 1 1 9 LEU CD2 C -0.442 1.360 -3.936 1.00 . A A . 9 LEU CD2 1 1
11 2465 1 1 9 LEU CG C -1.605 0.903 -3.034 1.00 . A A . 9 LEU CG 1 1
11 2466 1 1 9 LEU H H -2.247 -1.428 -0.788 1.00 . A A . 9 LEU H 1 1
11 2467 1 1 9 LEU HA H 0.389 -0.551 -1.923 1.00 . A A . 9 LEU HA 1 1
11 2468 1 1 9 LEU HB2 H -2.072 0.921 -0.880 1.00 . A A . 9 LEU HB2 1 1
11 2469 1 1 9 LEU HB3 H -0.613 1.772 -1.305 1.00 . A A . 9 LEU HB3 1 1
11 2470 1 1 9 LEU HD11 H -2.669 2.840 -2.933 1.00 . A A . 9 LEU HD11 1 1
11 2471 1 1 9 LEU HD12 H -3.113 1.841 -4.340 1.00 . A A . 9 LEU HD12 1 1
11 2472 1 1 9 LEU HD13 H -3.729 1.422 -2.733 1.00 . A A . 9 LEU HD13 1 1
11 2473 1 1 9 LEU HD21 H 0.443 0.706 -3.834 1.00 . A A . 9 LEU HD21 1 1
11 2474 1 1 9 LEU HD22 H -0.720 1.350 -5.008 1.00 . A A . 9 LEU HD22 1 1
11 2475 1 1 9 LEU HD23 H -0.114 2.387 -3.691 1.00 . A A . 9 LEU HD23 1 1
11 2476 1 1 9 LEU HG H -1.901 -0.110 -3.356 1.00 . A A . 9 LEU HG 1 1
11 2477 1 1 9 LEU N N -1.267 -1.547 -1.062 1.00 . A A . 9 LEU N 1 1
11 2478 1 1 9 LEU O O 1.502 0.610 0.058 1.00 . A A . 9 LEU O 1 1
11 2479 1 1 10 ABA C C 2.492 -1.199 2.420 1.00 . A A . 10 AIB C 1 1
11 2480 1 1 10 ABA CA C 1.018 -0.628 2.614 1.00 . A A . 10 AIB CA 1 1
11 2481 1 1 10 ABA N N 0.198 -0.713 1.357 1.00 . A A . 10 AIB N 1 1
11 2482 1 1 10 ABA O O 3.427 -0.437 2.680 1.00 . A A . 10 AIB O 1 1
11 2483 1 1 11 HYP C C 4.733 -2.088 0.170 1.00 . A A . 11 HYP C 1 1
11 2484 1 1 11 HYP CA C 4.160 -2.820 1.433 1.00 . A A . 11 HYP CA 1 1
11 2485 1 1 11 HYP CB C 4.054 -4.345 1.237 1.00 . A A . 11 HYP CB 1 1
11 2486 1 1 11 HYP CD C 1.848 -3.556 1.789 1.00 . A A . 11 HYP CD 1 1
11 2487 1 1 11 HYP CG C 2.576 -4.621 0.967 1.00 . A A . 11 HYP CG 1 1
11 2488 1 1 11 HYP HA H 4.878 -2.645 2.254 1.00 . A A . 11 HYP HA 1 1
11 2489 1 1 11 HYP HB2 H 4.699 -4.736 0.429 1.00 . A A . 11 HYP HB2 1 1
11 2490 1 1 11 HYP HB3 H 4.373 -4.867 2.157 1.00 . A A . 11 HYP HB3 1 1
11 2491 1 1 11 HYP HD1 H 1.223 -5.938 1.336 1.00 . A A . 11 HYP HD1 1 1
11 2492 1 1 11 HYP HD22 H 0.923 -3.264 1.275 1.00 . A A . 11 HYP HD22 1 1
11 2493 1 1 11 HYP HD23 H 1.597 -3.942 2.798 1.00 . A A . 11 HYP HD23 1 1
11 2494 1 1 11 HYP HG H 2.355 -4.490 -0.112 1.00 . A A . 11 HYP HG 1 1
11 2495 1 1 11 HYP N N 2.799 -2.441 1.911 1.00 . A A . 11 HYP N 1 1
11 2496 1 1 11 HYP O O 5.920 -2.280 -0.115 1.00 . A A . 11 HYP O 1 1
11 2497 1 1 11 HYP OD1 O 2.182 -5.922 1.386 1.00 . A A . 11 HYP OD1 1 1
11 2498 1 1 12 GLN C C 4.806 1.177 -1.026 1.00 . A A . 12 GLN C 1 1
11 2499 1 1 12 GLN CA C 4.518 -0.271 -1.539 1.00 . A A . 12 GLN CA 1 1
11 2500 1 1 12 GLN CB C 3.588 -0.226 -2.783 1.00 . A A . 12 GLN CB 1 1
11 2501 1 1 12 GLN CD C 2.533 -1.455 -4.782 1.00 . A A . 12 GLN CD 1 1
11 2502 1 1 12 GLN CG C 3.258 -1.584 -3.430 1.00 . A A . 12 GLN CG 1 1
11 2503 1 1 12 GLN H H 3.031 -1.041 -0.159 1.00 . A A . 12 GLN H 1 1
11 2504 1 1 12 GLN HA H 5.504 -0.643 -1.857 1.00 . A A . 12 GLN HA 1 1
11 2505 1 1 12 GLN HB2 H 2.642 0.290 -2.533 1.00 . A A . 12 GLN HB2 1 1
11 2506 1 1 12 GLN HB3 H 4.067 0.415 -3.540 1.00 . A A . 12 GLN HB3 1 1
11 2507 1 1 12 GLN HE21 H 0.993 -2.545 -4.104 1.00 . A A . 12 GLN HE21 1 1
11 2508 1 1 12 GLN HE22 H 0.920 -1.950 -5.845 1.00 . A A . 12 GLN HE22 1 1
11 2509 1 1 12 GLN HG2 H 4.193 -2.156 -3.558 1.00 . A A . 12 GLN HG2 1 1
11 2510 1 1 12 GLN HG3 H 2.654 -2.163 -2.694 1.00 . A A . 12 GLN HG3 1 1
11 2511 1 1 12 GLN N N 3.967 -1.216 -0.521 1.00 . A A . 12 GLN N 1 1
11 2512 1 1 12 GLN NE2 N 1.353 -2.032 -4.915 1.00 . A A . 12 GLN NE2 1 1
11 2513 1 1 12 GLN O O 5.043 2.049 -1.863 1.00 . A A . 12 GLN O 1 1
11 2514 1 1 12 GLN OE1 O 3.024 -0.839 -5.723 1.00 . A A . 12 GLN OE1 1 1
11 2515 1 1 13 ABA C C 7.179 1.895 1.129 1.00 . A A . 13 AIB C 1 1
11 2516 1 1 13 ABA CA C 5.690 2.469 0.978 1.00 . A A . 13 AIB CA 1 1
11 2517 1 1 13 ABA N N 4.854 1.423 0.305 1.00 . A A . 13 AIB N 1 1
11 2518 1 1 13 ABA O O 8.098 2.457 0.511 1.00 . A A . 13 AIB O 1 1
11 2519 1 1 14 HYP C C 9.568 -0.336 0.674 1.00 . A A . 14 HYP C 1 1
11 2520 1 1 14 HYP CA C 8.896 0.239 1.958 1.00 . A A . 14 HYP CA 1 1
11 2521 1 1 14 HYP CB C 8.823 -0.816 3.082 1.00 . A A . 14 HYP CB 1 1
11 2522 1 1 14 HYP CD C 6.555 -0.058 2.597 1.00 . A A . 14 HYP CD 1 1
11 2523 1 1 14 HYP CG C 7.348 -1.147 3.315 1.00 . A A . 14 HYP CG 1 1
11 2524 1 1 14 HYP HA H 9.543 1.058 2.328 1.00 . A A . 14 HYP HA 1 1
11 2525 1 1 14 HYP HB2 H 9.382 -1.738 2.833 1.00 . A A . 14 HYP HB2 1 1
11 2526 1 1 14 HYP HB3 H 9.284 -0.418 4.008 1.00 . A A . 14 HYP HB3 1 1
11 2527 1 1 14 HYP HD1 H 7.302 -0.290 5.031 1.00 . A A . 14 HYP HD1 1 1
11 2528 1 1 14 HYP HD22 H 5.831 -0.507 1.908 1.00 . A A . 14 HYP HD22 1 1
11 2529 1 1 14 HYP HD23 H 5.985 0.538 3.310 1.00 . A A . 14 HYP HD23 1 1
11 2530 1 1 14 HYP HG H 7.104 -2.137 2.891 1.00 . A A . 14 HYP HG 1 1
11 2531 1 1 14 HYP N N 7.512 0.770 1.852 1.00 . A A . 14 HYP N 1 1
11 2532 1 1 14 HYP O O 10.777 -0.134 0.533 1.00 . A A . 14 HYP O 1 1
11 2533 1 1 14 HYP OD1 O 7.052 -1.158 4.707 1.00 . A A . 14 HYP OD1 1 1
11 2534 1 1 15 ABA C C 10.055 -0.532 -2.447 1.00 . A A . 15 AIB C 1 1
11 2535 1 1 15 ABA CA C 9.426 -1.634 -1.488 1.00 . A A . 15 AIB CA 1 1
11 2536 1 1 15 ABA N N 8.851 -1.065 -0.225 1.00 . A A . 15 AIB N 1 1
11 2537 1 1 15 ABA O O 11.203 -0.727 -2.869 1.00 . A A . 15 AIB O 1 1
11 2538 1 1 16 PRO C C 11.162 2.565 -2.371 1.00 . A A . 16 PRO C 1 1
11 2539 1 1 16 PRO CA C 10.192 1.815 -3.327 1.00 . A A . 16 PRO CA 1 1
11 2540 1 1 16 PRO CB C 9.088 2.723 -3.894 1.00 . A A . 16 PRO CB 1 1
11 2541 1 1 16 PRO CD C 8.035 0.985 -2.512 1.00 . A A . 16 PRO CD 1 1
11 2542 1 1 16 PRO CG C 7.837 2.395 -3.084 1.00 . A A . 16 PRO CG 1 1
11 2543 1 1 16 PRO HA H 10.817 1.459 -4.150 1.00 . A A . 16 PRO HA 1 1
11 2544 1 1 16 PRO HB2 H 9.336 3.800 -3.844 1.00 . A A . 16 PRO HB2 1 1
11 2545 1 1 16 PRO HB3 H 8.916 2.500 -4.964 1.00 . A A . 16 PRO HB3 1 1
11 2546 1 1 16 PRO HD2 H 7.814 0.991 -1.435 1.00 . A A . 16 PRO HD2 1 1
11 2547 1 1 16 PRO HD3 H 7.353 0.242 -2.948 1.00 . A A . 16 PRO HD3 1 1
11 2548 1 1 16 PRO HG2 H 7.734 3.120 -2.258 1.00 . A A . 16 PRO HG2 1 1
11 2549 1 1 16 PRO HG3 H 6.923 2.480 -3.698 1.00 . A A . 16 PRO HG3 1 1
11 2550 1 1 16 PRO N N 9.444 0.654 -2.780 1.00 . A A . 16 PRO N 1 1
11 2551 1 1 16 PRO O O 12.125 3.156 -2.870 1.00 . A A . 16 PRO O 1 1
11 2552 1 1 17 PHL C C 12.180 2.625 1.079 1.00 . A A . 17 PHL C 1 1
11 2553 1 1 17 PHL CA C 11.642 3.458 -0.105 1.00 . A A . 17 PHL CA 1 1
11 2554 1 1 17 PHL CB C 10.711 4.612 0.355 1.00 . A A . 17 PHL CB 1 1
11 2555 1 1 17 PHL CD1 C 11.055 6.248 -1.591 1.00 . A A . 17 PHL CD1 1 1
11 2556 1 1 17 PHL CD2 C 8.797 5.669 -0.961 1.00 . A A . 17 PHL CD2 1 1
11 2557 1 1 17 PHL CE1 C 10.561 7.040 -2.624 1.00 . A A . 17 PHL CE1 1 1
11 2558 1 1 17 PHL CE2 C 8.305 6.464 -1.992 1.00 . A A . 17 PHL CE2 1 1
11 2559 1 1 17 PHL CG C 10.176 5.553 -0.751 1.00 . A A . 17 PHL CG 1 1
11 2560 1 1 17 PHL CZ C 9.188 7.151 -2.821 1.00 . A A . 17 PHL CZ 1 1
11 2561 1 1 17 PHL H2 H 10.019 2.107 -0.799 1.00 . A A . 17 PHL H2 1 1
11 2562 1 1 17 PHL HA H 12.528 3.914 -0.591 1.00 . A A . 17 PHL HA 1 1
11 2563 1 1 17 PHL HB2 H 9.868 4.157 0.913 1.00 . A A . 17 PHL HB2 1 1
11 2564 1 1 17 PHL HB3 H 11.247 5.230 1.097 1.00 . A A . 17 PHL HB3 1 1
11 2565 1 1 17 PHL HC1 H 12.733 1.737 0.721 1.00 . A A . 17 PHL HC1 1 1
11 2566 1 1 17 PHL HC2 H 11.348 2.252 1.703 1.00 . A A . 17 PHL HC2 1 1
11 2567 1 1 17 PHL HD1 H 12.123 6.136 -1.471 1.00 . A A . 17 PHL HD1 1 1
11 2568 1 1 17 PHL HD2 H 8.106 5.123 -0.341 1.00 . A A . 17 PHL HD2 1 1
11 2569 1 1 17 PHL HE1 H 11.244 7.556 -3.283 1.00 . A A . 17 PHL HE1 1 1
11 2570 1 1 17 PHL HE2 H 7.240 6.536 -2.155 1.00 . A A . 17 PHL HE2 1 1
11 2571 1 1 17 PHL HO H 13.814 3.608 1.363 1.00 . A A . 17 PHL HO 1 1
11 2572 1 1 17 PHL HZ H 8.805 7.771 -3.619 1.00 . A A . 17 PHL HZ 1 1
11 2573 1 1 17 PHL N N 10.903 2.579 -1.049 1.00 . A A . 17 PHL N 1 1
11 2574 1 1 17 PHL O O 13.052 3.388 1.904 1.00 . A A . 17 PHL O 1 1
12 2575 1 1 1 ACE C C -11.674 -1.589 -1.004 1.00 . A A . 1 ACE C 1 1
12 2576 1 1 1 ACE CH3 C -12.670 -2.746 -0.995 1.00 . A A . 1 ACE CH3 1 1
12 2577 1 1 1 ACE H1 H -13.714 -2.407 -1.127 1.00 . A A . 1 ACE H1 1 1
12 2578 1 1 1 ACE H2 H -12.450 -3.460 -1.808 1.00 . A A . 1 ACE H2 1 1
12 2579 1 1 1 ACE H3 H -12.620 -3.306 -0.044 1.00 . A A . 1 ACE H3 1 1
12 2580 1 1 1 ACE O O -10.602 -1.700 -1.602 1.00 . A A . 1 ACE O 1 1
12 2581 1 1 2 TRP C C -9.981 0.259 0.995 1.00 . A A . 2 TRP C 1 1
12 2582 1 1 2 TRP CA C -11.086 0.635 -0.040 1.00 . A A . 2 TRP CA 1 1
12 2583 1 1 2 TRP CB C -11.877 1.921 0.345 1.00 . A A . 2 TRP CB 1 1
12 2584 1 1 2 TRP CD1 C -9.819 3.626 0.542 1.00 . A A . 2 TRP CD1 1 1
12 2585 1 1 2 TRP CD2 C -11.761 4.508 -0.078 1.00 . A A . 2 TRP CD2 1 1
12 2586 1 1 2 TRP CE2 C -10.778 5.527 0.019 1.00 . A A . 2 TRP CE2 1 1
12 2587 1 1 2 TRP CE3 C -13.099 4.839 -0.418 1.00 . A A . 2 TRP CE3 1 1
12 2588 1 1 2 TRP CG C -11.167 3.294 0.243 1.00 . A A . 2 TRP CG 1 1
12 2589 1 1 2 TRP CH2 C -12.448 7.183 -0.538 1.00 . A A . 2 TRP CH2 1 1
12 2590 1 1 2 TRP CZ2 C -11.127 6.881 -0.206 1.00 . A A . 2 TRP CZ2 1 1
12 2591 1 1 2 TRP CZ3 C -13.418 6.180 -0.645 1.00 . A A . 2 TRP CZ3 1 1
12 2592 1 1 2 TRP H H -12.939 -0.563 0.160 1.00 . A A . 2 TRP H 1 1
12 2593 1 1 2 TRP HA H -10.579 0.864 -0.998 1.00 . A A . 2 TRP HA 1 1
12 2594 1 1 2 TRP HB2 H -12.774 1.979 -0.301 1.00 . A A . 2 TRP HB2 1 1
12 2595 1 1 2 TRP HB3 H -12.292 1.818 1.365 1.00 . A A . 2 TRP HB3 1 1
12 2596 1 1 2 TRP HD1 H -9.070 2.936 0.887 1.00 . A A . 2 TRP HD1 1 1
12 2597 1 1 2 TRP HE1 H -8.670 5.493 0.530 1.00 . A A . 2 TRP HE1 1 1
12 2598 1 1 2 TRP HE3 H -13.862 4.079 -0.494 1.00 . A A . 2 TRP HE3 1 1
12 2599 1 1 2 TRP HH2 H -12.727 8.212 -0.710 1.00 . A A . 2 TRP HH2 1 1
12 2600 1 1 2 TRP HZ2 H -10.392 7.666 -0.111 1.00 . A A . 2 TRP HZ2 1 1
12 2601 1 1 2 TRP HZ3 H -14.434 6.446 -0.900 1.00 . A A . 2 TRP HZ3 1 1
12 2602 1 1 2 TRP N N -12.027 -0.497 -0.304 1.00 . A A . 2 TRP N 1 1
12 2603 1 1 2 TRP NE1 N -9.554 4.997 0.386 1.00 . A A . 2 TRP NE1 1 1
12 2604 1 1 2 TRP O O -8.805 0.508 0.726 1.00 . A A . 2 TRP O 1 1
12 2605 1 1 3 ILE C C -8.439 -2.113 2.483 1.00 . A A . 3 ILE C 1 1
12 2606 1 1 3 ILE CA C -9.308 -0.950 3.069 1.00 . A A . 3 ILE CA 1 1
12 2607 1 1 3 ILE CB C -9.922 -1.224 4.489 1.00 . A A . 3 ILE CB 1 1
12 2608 1 1 3 ILE CD1 C -8.062 -0.124 5.954 1.00 . A A . 3 ILE CD1 1 1
12 2609 1 1 3 ILE CG1 C -8.869 -1.390 5.626 1.00 . A A . 3 ILE CG1 1 1
12 2610 1 1 3 ILE CG2 C -10.919 -2.410 4.537 1.00 . A A . 3 ILE CG2 1 1
12 2611 1 1 3 ILE H H -11.330 -0.555 2.245 1.00 . A A . 3 ILE H 1 1
12 2612 1 1 3 ILE HA H -8.576 -0.135 3.190 1.00 . A A . 3 ILE HA 1 1
12 2613 1 1 3 ILE HB H -10.519 -0.333 4.767 1.00 . A A . 3 ILE HB 1 1
12 2614 1 1 3 ILE HD11 H -8.722 0.714 6.246 1.00 . A A . 3 ILE HD11 1 1
12 2615 1 1 3 ILE HD12 H -7.370 -0.303 6.798 1.00 . A A . 3 ILE HD12 1 1
12 2616 1 1 3 ILE HD13 H -7.446 0.216 5.102 1.00 . A A . 3 ILE HD13 1 1
12 2617 1 1 3 ILE HG12 H -9.371 -1.700 6.561 1.00 . A A . 3 ILE HG12 1 1
12 2618 1 1 3 ILE HG13 H -8.173 -2.214 5.392 1.00 . A A . 3 ILE HG13 1 1
12 2619 1 1 3 ILE HG21 H -10.432 -3.381 4.336 1.00 . A A . 3 ILE HG21 1 1
12 2620 1 1 3 ILE HG22 H -11.403 -2.493 5.528 1.00 . A A . 3 ILE HG22 1 1
12 2621 1 1 3 ILE HG23 H -11.733 -2.295 3.800 1.00 . A A . 3 ILE HG23 1 1
12 2622 1 1 3 ILE N N -10.326 -0.367 2.143 1.00 . A A . 3 ILE N 1 1
12 2623 1 1 3 ILE O O -7.254 -2.181 2.811 1.00 . A A . 3 ILE O 1 1
12 2624 1 1 4 GLN C C -7.138 -3.197 -0.197 1.00 . A A . 4 GLN C 1 1
12 2625 1 1 4 GLN CA C -8.148 -3.898 0.760 1.00 . A A . 4 GLN CA 1 1
12 2626 1 1 4 GLN CB C -9.079 -4.878 -0.005 1.00 . A A . 4 GLN CB 1 1
12 2627 1 1 4 GLN CD C -9.315 -7.215 -1.146 1.00 . A A . 4 GLN CD 1 1
12 2628 1 1 4 GLN CG C -8.397 -6.202 -0.434 1.00 . A A . 4 GLN CG 1 1
12 2629 1 1 4 GLN H H -9.971 -2.820 1.391 1.00 . A A . 4 GLN H 1 1
12 2630 1 1 4 GLN HA H -7.543 -4.493 1.473 1.00 . A A . 4 GLN HA 1 1
12 2631 1 1 4 GLN HB2 H -9.951 -5.143 0.624 1.00 . A A . 4 GLN HB2 1 1
12 2632 1 1 4 GLN HB3 H -9.509 -4.375 -0.892 1.00 . A A . 4 GLN HB3 1 1
12 2633 1 1 4 GLN HE21 H -8.015 -8.676 -0.708 1.00 . A A . 4 GLN HE21 1 1
12 2634 1 1 4 GLN HE22 H -9.524 -9.153 -1.630 1.00 . A A . 4 GLN HE22 1 1
12 2635 1 1 4 GLN HG2 H -7.537 -5.986 -1.096 1.00 . A A . 4 GLN HG2 1 1
12 2636 1 1 4 GLN HG3 H -7.958 -6.675 0.469 1.00 . A A . 4 GLN HG3 1 1
12 2637 1 1 4 GLN N N -8.974 -2.967 1.583 1.00 . A A . 4 GLN N 1 1
12 2638 1 1 4 GLN NE2 N -8.910 -8.476 -1.167 1.00 . A A . 4 GLN NE2 1 1
12 2639 1 1 4 GLN O O -5.995 -3.652 -0.269 1.00 . A A . 4 GLN O 1 1
12 2640 1 1 4 GLN OE1 O -10.372 -6.894 -1.691 1.00 . A A . 4 GLN OE1 1 1
12 2641 1 1 5 . C C -5.458 -0.633 -1.029 1.00 . A A . 5 DIV C 1 1
12 2642 1 1 5 . CA C -6.674 -1.294 -1.807 1.00 . A A . 5 DIV CA 1 1
12 2643 1 1 5 . CB1 C -6.202 -2.191 -3.001 1.00 . A A . 5 DIV CB1 1 1
12 2644 1 1 5 . CB2 C -7.570 -0.145 -2.368 1.00 . A A . 5 DIV CB2 1 1
12 2645 1 1 5 . CG1 C -7.210 -2.713 -4.047 1.00 . A A . 5 DIV CG1 1 1
12 2646 1 1 5 . H2 H -8.480 -1.788 -0.709 1.00 . A A . 5 DIV H2 1 1
12 2647 1 1 5 . HB11 H -5.436 -1.615 -3.509 1.00 . A A . 5 DIV HB11 1 1
12 2648 1 1 5 . HB12 H -5.646 -3.067 -2.627 1.00 . A A . 5 DIV HB12 1 1
12 2649 1 1 5 . HB21 H -7.940 0.537 -1.582 1.00 . A A . 5 DIV HB21 1 1
12 2650 1 1 5 . HB22 H -7.027 0.483 -3.099 1.00 . A A . 5 DIV HB22 1 1
12 2651 1 1 5 . HB23 H -8.473 -0.522 -2.885 1.00 . A A . 5 DIV HB23 1 1
12 2652 1 1 5 . HG11 H -7.689 -1.892 -4.609 1.00 . A A . 5 DIV HG11 1 1
12 2653 1 1 5 . HG12 H -6.705 -3.352 -4.793 1.00 . A A . 5 DIV HG12 1 1
12 2654 1 1 5 . HG13 H -8.010 -3.318 -3.581 1.00 . A A . 5 DIV HG13 1 1
12 2655 1 1 5 . N N -7.540 -2.117 -0.913 1.00 . A A . 5 DIV N 1 1
12 2656 1 1 5 . O O -4.298 -0.795 -1.419 1.00 . A A . 5 DIV O 1 1
12 2657 1 1 6 ILE C C -3.802 -0.510 1.735 1.00 . A A . 6 ILE C 1 1
12 2658 1 1 6 ILE CA C -4.642 0.608 1.006 1.00 . A A . 6 ILE CA 1 1
12 2659 1 1 6 ILE CB C -5.237 1.709 1.968 1.00 . A A . 6 ILE CB 1 1
12 2660 1 1 6 ILE CD1 C -5.152 3.774 0.300 1.00 . A A . 6 ILE CD1 1 1
12 2661 1 1 6 ILE CG1 C -5.974 2.890 1.257 1.00 . A A . 6 ILE CG1 1 1
12 2662 1 1 6 ILE CG2 C -4.226 2.306 2.984 1.00 . A A . 6 ILE CG2 1 1
12 2663 1 1 6 ILE H H -6.704 0.164 0.334 1.00 . A A . 6 ILE H 1 1
12 2664 1 1 6 ILE HA H -3.913 1.134 0.358 1.00 . A A . 6 ILE HA 1 1
12 2665 1 1 6 ILE HB H -6.006 1.207 2.586 1.00 . A A . 6 ILE HB 1 1
12 2666 1 1 6 ILE HD11 H -4.726 3.194 -0.540 1.00 . A A . 6 ILE HD11 1 1
12 2667 1 1 6 ILE HD12 H -5.782 4.568 -0.142 1.00 . A A . 6 ILE HD12 1 1
12 2668 1 1 6 ILE HD13 H -4.315 4.279 0.816 1.00 . A A . 6 ILE HD13 1 1
12 2669 1 1 6 ILE HG12 H -6.834 2.491 0.690 1.00 . A A . 6 ILE HG12 1 1
12 2670 1 1 6 ILE HG13 H -6.437 3.547 2.018 1.00 . A A . 6 ILE HG13 1 1
12 2671 1 1 6 ILE HG21 H -3.338 2.736 2.485 1.00 . A A . 6 ILE HG21 1 1
12 2672 1 1 6 ILE HG22 H -4.676 3.108 3.600 1.00 . A A . 6 ILE HG22 1 1
12 2673 1 1 6 ILE HG23 H -3.861 1.543 3.695 1.00 . A A . 6 ILE HG23 1 1
12 2674 1 1 6 ILE N N -5.710 0.078 0.099 1.00 . A A . 6 ILE N 1 1
12 2675 1 1 6 ILE O O -2.645 -0.245 2.068 1.00 . A A . 6 ILE O 1 1
12 2676 1 1 7 THR C C -2.561 -3.467 1.305 1.00 . A A . 7 THR C 1 1
12 2677 1 1 7 THR CA C -3.548 -2.925 2.384 1.00 . A A . 7 THR CA 1 1
12 2678 1 1 7 THR CB C -4.495 -3.998 3.001 1.00 . A A . 7 THR CB 1 1
12 2679 1 1 7 THR CG2 C -3.837 -5.312 3.464 1.00 . A A . 7 THR CG2 1 1
12 2680 1 1 7 THR H H -5.311 -1.826 1.633 1.00 . A A . 7 THR H 1 1
12 2681 1 1 7 THR HA H -2.897 -2.589 3.205 1.00 . A A . 7 THR HA 1 1
12 2682 1 1 7 THR HB H -5.267 -4.264 2.255 1.00 . A A . 7 THR HB 1 1
12 2683 1 1 7 THR HG1 H -5.572 -2.642 3.844 1.00 . A A . 7 THR HG1 1 1
12 2684 1 1 7 THR HG21 H -4.575 -5.970 3.960 1.00 . A A . 7 THR HG21 1 1
12 2685 1 1 7 THR HG22 H -3.422 -5.880 2.612 1.00 . A A . 7 THR HG22 1 1
12 2686 1 1 7 THR HG23 H -3.014 -5.138 4.184 1.00 . A A . 7 THR HG23 1 1
12 2687 1 1 7 THR N N -4.335 -1.736 1.942 1.00 . A A . 7 THR N 1 1
12 2688 1 1 7 THR O O -1.394 -3.647 1.648 1.00 . A A . 7 THR O 1 1
12 2689 1 1 7 THR OG1 O -5.148 -3.450 4.143 1.00 . A A . 7 THR OG1 1 1
12 2690 1 1 8 ABA C C -0.882 -2.918 -1.314 1.00 . A A . 8 AIB C 1 1
12 2691 1 1 8 ABA CA C -2.027 -3.996 -1.105 1.00 . A A . 8 AIB CA 1 1
12 2692 1 1 8 ABA N N -2.972 -3.698 0.037 1.00 . A A . 8 AIB N 1 1
12 2693 1 1 8 ABA O O 0.278 -3.247 -1.586 1.00 . A A . 8 AIB O 1 1
12 2694 1 1 9 LEU C C 0.533 -0.191 0.066 1.00 . A A . 9 LEU C 1 1
12 2695 1 1 9 LEU CA C -0.288 -0.481 -1.237 1.00 . A A . 9 LEU CA 1 1
12 2696 1 1 9 LEU CB C -1.099 0.751 -1.736 1.00 . A A . 9 LEU CB 1 1
12 2697 1 1 9 LEU CD1 C -2.729 1.594 -3.553 1.00 . A A . 9 LEU CD1 1 1
12 2698 1 1 9 LEU CD2 C -0.310 1.160 -4.147 1.00 . A A . 9 LEU CD2 1 1
12 2699 1 1 9 LEU CG C -1.488 0.733 -3.248 1.00 . A A . 9 LEU CG 1 1
12 2700 1 1 9 LEU H H -2.212 -1.489 -0.891 1.00 . A A . 9 LEU H 1 1
12 2701 1 1 9 LEU HA H 0.470 -0.685 -2.014 1.00 . A A . 9 LEU HA 1 1
12 2702 1 1 9 LEU HB2 H -2.002 0.859 -1.107 1.00 . A A . 9 LEU HB2 1 1
12 2703 1 1 9 LEU HB3 H -0.524 1.672 -1.534 1.00 . A A . 9 LEU HB3 1 1
12 2704 1 1 9 LEU HD11 H -2.588 2.652 -3.264 1.00 . A A . 9 LEU HD11 1 1
12 2705 1 1 9 LEU HD12 H -2.982 1.577 -4.630 1.00 . A A . 9 LEU HD12 1 1
12 2706 1 1 9 LEU HD13 H -3.626 1.227 -3.021 1.00 . A A . 9 LEU HD13 1 1
12 2707 1 1 9 LEU HD21 H 0.582 0.529 -3.990 1.00 . A A . 9 LEU HD21 1 1
12 2708 1 1 9 LEU HD22 H -0.561 1.086 -5.223 1.00 . A A . 9 LEU HD22 1 1
12 2709 1 1 9 LEU HD23 H -0.005 2.204 -3.951 1.00 . A A . 9 LEU HD23 1 1
12 2710 1 1 9 LEU HG H -1.765 -0.297 -3.535 1.00 . A A . 9 LEU HG 1 1
12 2711 1 1 9 LEU N N -1.234 -1.626 -1.171 1.00 . A A . 9 LEU N 1 1
12 2712 1 1 9 LEU O O 1.518 0.546 -0.035 1.00 . A A . 9 LEU O 1 1
12 2713 1 1 10 ABA C C 2.442 -1.217 2.382 1.00 . A A . 10 AIB C 1 1
12 2714 1 1 10 ABA CA C 0.962 -0.653 2.533 1.00 . A A . 10 AIB CA 1 1
12 2715 1 1 10 ABA N N 0.177 -0.753 1.255 1.00 . A A . 10 AIB N 1 1
12 2716 1 1 10 ABA O O 3.368 -0.446 2.655 1.00 . A A . 10 AIB O 1 1
12 2717 1 1 11 HYP C C 4.755 -2.128 0.210 1.00 . A A . 11 HYP C 1 1
12 2718 1 1 11 HYP CA C 4.145 -2.841 1.465 1.00 . A A . 11 HYP CA 1 1
12 2719 1 1 11 HYP CB C 4.043 -4.369 1.284 1.00 . A A . 11 HYP CB 1 1
12 2720 1 1 11 HYP CD C 1.817 -3.577 1.729 1.00 . A A . 11 HYP CD 1 1
12 2721 1 1 11 HYP CG C 2.581 -4.639 0.936 1.00 . A A . 11 HYP CG 1 1
12 2722 1 1 11 HYP HA H 4.838 -2.656 2.306 1.00 . A A . 11 HYP HA 1 1
12 2723 1 1 11 HYP HB2 H 4.732 -4.776 0.523 1.00 . A A . 11 HYP HB2 1 1
12 2724 1 1 11 HYP HB3 H 4.302 -4.878 2.231 1.00 . A A . 11 HYP HB3 1 1
12 2725 1 1 11 HYP HD1 H 1.290 -5.868 1.663 1.00 . A A . 11 HYP HD1 1 1
12 2726 1 1 11 HYP HD22 H 0.917 -3.281 1.174 1.00 . A A . 11 HYP HD22 1 1
12 2727 1 1 11 HYP HD23 H 1.516 -3.967 2.721 1.00 . A A . 11 HYP HD23 1 1
12 2728 1 1 11 HYP HG H 2.413 -4.496 -0.151 1.00 . A A . 11 HYP HG 1 1
12 2729 1 1 11 HYP N N 2.767 -2.464 1.896 1.00 . A A . 11 HYP N 1 1
12 2730 1 1 11 HYP O O 5.956 -2.301 -0.021 1.00 . A A . 11 HYP O 1 1
12 2731 1 1 11 HYP OD1 O 2.185 -5.948 1.325 1.00 . A A . 11 HYP OD1 1 1
12 2732 1 1 12 GLN C C 4.813 1.096 -1.076 1.00 . A A . 12 GLN C 1 1
12 2733 1 1 12 GLN CA C 4.559 -0.370 -1.558 1.00 . A A . 12 GLN CA 1 1
12 2734 1 1 12 GLN CB C 3.663 -0.376 -2.829 1.00 . A A . 12 GLN CB 1 1
12 2735 1 1 12 GLN CD C 2.697 -1.679 -4.825 1.00 . A A . 12 GLN CD 1 1
12 2736 1 1 12 GLN CG C 3.376 -1.760 -3.444 1.00 . A A . 12 GLN CG 1 1
12 2737 1 1 12 GLN H H 3.046 -1.122 -0.204 1.00 . A A . 12 GLN H 1 1
12 2738 1 1 12 GLN HA H 5.560 -0.734 -1.839 1.00 . A A . 12 GLN HA 1 1
12 2739 1 1 12 GLN HB2 H 2.701 0.128 -2.619 1.00 . A A . 12 GLN HB2 1 1
12 2740 1 1 12 GLN HB3 H 4.153 0.254 -3.590 1.00 . A A . 12 GLN HB3 1 1
12 2741 1 1 12 GLN HE21 H 1.107 -2.700 -4.152 1.00 . A A . 12 GLN HE21 1 1
12 2742 1 1 12 GLN HE22 H 1.103 -2.165 -5.915 1.00 . A A . 12 GLN HE22 1 1
12 2743 1 1 12 GLN HG2 H 4.325 -2.325 -3.528 1.00 . A A . 12 GLN HG2 1 1
12 2744 1 1 12 GLN HG3 H 2.758 -2.325 -2.712 1.00 . A A . 12 GLN HG3 1 1
12 2745 1 1 12 GLN N N 3.997 -1.293 -0.535 1.00 . A A . 12 GLN N 1 1
12 2746 1 1 12 GLN NE2 N 1.508 -2.234 -4.972 1.00 . A A . 12 GLN NE2 1 1
12 2747 1 1 12 GLN O O 5.066 1.947 -1.930 1.00 . A A . 12 GLN O 1 1
12 2748 1 1 12 GLN OE1 O 3.238 -1.119 -5.775 1.00 . A A . 12 GLN OE1 1 1
12 2749 1 1 13 ABA C C 7.108 1.922 1.136 1.00 . A A . 13 AIB C 1 1
12 2750 1 1 13 ABA CA C 5.611 2.456 0.920 1.00 . A A . 13 AIB CA 1 1
12 2751 1 1 13 ABA N N 4.814 1.378 0.250 1.00 . A A . 13 AIB N 1 1
12 2752 1 1 13 ABA O O 8.034 2.493 0.536 1.00 . A A . 13 AIB O 1 1
12 2753 1 1 14 HYP C C 9.554 -0.268 0.808 1.00 . A A . 14 HYP C 1 1
12 2754 1 1 14 HYP CA C 8.836 0.326 2.056 1.00 . A A . 14 HYP CA 1 1
12 2755 1 1 14 HYP CB C 8.755 -0.702 3.203 1.00 . A A . 14 HYP CB 1 1
12 2756 1 1 14 HYP CD C 6.486 -0.015 2.626 1.00 . A A . 14 HYP CD 1 1
12 2757 1 1 14 HYP CG C 7.282 -1.064 3.400 1.00 . A A . 14 HYP CG 1 1
12 2758 1 1 14 HYP HA H 9.456 1.167 2.420 1.00 . A A . 14 HYP HA 1 1
12 2759 1 1 14 HYP HB2 H 9.343 -1.615 2.992 1.00 . A A . 14 HYP HB2 1 1
12 2760 1 1 14 HYP HB3 H 9.179 -0.269 4.130 1.00 . A A . 14 HYP HB3 1 1
12 2761 1 1 14 HYP HD1 H 7.136 -0.156 5.085 1.00 . A A . 14 HYP HD1 1 1
12 2762 1 1 14 HYP HD22 H 5.803 -0.500 1.922 1.00 . A A . 14 HYP HD22 1 1
12 2763 1 1 14 HYP HD23 H 5.871 0.576 3.304 1.00 . A A . 14 HYP HD23 1 1
12 2764 1 1 14 HYP HG H 7.077 -2.071 2.992 1.00 . A A . 14 HYP HG 1 1
12 2765 1 1 14 HYP N N 7.446 0.825 1.898 1.00 . A A . 14 HYP N 1 1
12 2766 1 1 14 HYP O O 10.763 -0.044 0.697 1.00 . A A . 14 HYP O 1 1
12 2767 1 1 14 HYP OD1 O 6.939 -1.045 4.781 1.00 . A A . 14 HYP OD1 1 1
12 2768 1 1 15 ABA C C 10.148 -0.525 -2.282 1.00 . A A . 15 AIB C 1 1
12 2769 1 1 15 ABA CA C 9.501 -1.619 -1.326 1.00 . A A . 15 AIB CA 1 1
12 2770 1 1 15 ABA N N 8.875 -1.030 -0.095 1.00 . A A . 15 AIB N 1 1
12 2771 1 1 15 ABA O O 11.317 -0.703 -2.651 1.00 . A A . 15 AIB O 1 1
12 2772 1 1 16 PRO C C 11.188 2.596 -2.247 1.00 . A A . 16 PRO C 1 1
12 2773 1 1 16 PRO CA C 10.270 1.801 -3.217 1.00 . A A . 16 PRO CA 1 1
12 2774 1 1 16 PRO CB C 9.170 2.669 -3.852 1.00 . A A . 16 PRO CB 1 1
12 2775 1 1 16 PRO CD C 8.102 0.950 -2.458 1.00 . A A . 16 PRO CD 1 1
12 2776 1 1 16 PRO CG C 7.896 2.339 -3.078 1.00 . A A . 16 PRO CG 1 1
12 2777 1 1 16 PRO HA H 10.935 1.439 -4.004 1.00 . A A . 16 PRO HA 1 1
12 2778 1 1 16 PRO HB2 H 9.395 3.752 -3.826 1.00 . A A . 16 PRO HB2 1 1
12 2779 1 1 16 PRO HB3 H 9.044 2.409 -4.919 1.00 . A A . 16 PRO HB3 1 1
12 2780 1 1 16 PRO HD2 H 7.843 0.983 -1.390 1.00 . A A . 16 PRO HD2 1 1
12 2781 1 1 16 PRO HD3 H 7.448 0.183 -2.893 1.00 . A A . 16 PRO HD3 1 1
12 2782 1 1 16 PRO HG2 H 7.749 3.086 -2.278 1.00 . A A . 16 PRO HG2 1 1
12 2783 1 1 16 PRO HG3 H 7.003 2.389 -3.727 1.00 . A A . 16 PRO HG3 1 1
12 2784 1 1 16 PRO N N 9.526 0.639 -2.667 1.00 . A A . 16 PRO N 1 1
12 2785 1 1 16 PRO O O 12.150 3.203 -2.729 1.00 . A A . 16 PRO O 1 1
12 2786 1 1 17 PHL C C 12.080 2.787 1.238 1.00 . A A . 17 PHL C 1 1
12 2787 1 1 17 PHL CA C 11.566 3.561 0.007 1.00 . A A . 17 PHL CA 1 1
12 2788 1 1 17 PHL CB C 10.596 4.706 0.394 1.00 . A A . 17 PHL CB 1 1
12 2789 1 1 17 PHL CD1 C 8.721 5.661 -1.045 1.00 . A A . 17 PHL CD1 1 1
12 2790 1 1 17 PHL CD2 C 10.985 6.316 -1.565 1.00 . A A . 17 PHL CD2 1 1
12 2791 1 1 17 PHL CE1 C 8.257 6.415 -2.118 1.00 . A A . 17 PHL CE1 1 1
12 2792 1 1 17 PHL CE2 C 10.520 7.068 -2.640 1.00 . A A . 17 PHL CE2 1 1
12 2793 1 1 17 PHL CG C 10.089 5.603 -0.758 1.00 . A A . 17 PHL CG 1 1
12 2794 1 1 17 PHL CZ C 9.155 7.121 -2.913 1.00 . A A . 17 PHL CZ 1 1
12 2795 1 1 17 PHL H2 H 10.007 2.141 -0.697 1.00 . A A . 17 PHL H2 1 1
12 2796 1 1 17 PHL HA H 12.458 4.021 -0.462 1.00 . A A . 17 PHL HA 1 1
12 2797 1 1 17 PHL HB2 H 9.742 4.249 0.932 1.00 . A A . 17 PHL HB2 1 1
12 2798 1 1 17 PHL HB3 H 11.092 5.357 1.139 1.00 . A A . 17 PHL HB3 1 1
12 2799 1 1 17 PHL HC1 H 12.633 1.879 0.932 1.00 . A A . 17 PHL HC1 1 1
12 2800 1 1 17 PHL HC2 H 11.242 2.445 1.872 1.00 . A A . 17 PHL HC2 1 1
12 2801 1 1 17 PHL HD1 H 8.017 5.102 -0.449 1.00 . A A . 17 PHL HD1 1 1
12 2802 1 1 17 PHL HD2 H 12.049 6.254 -1.383 1.00 . A A . 17 PHL HD2 1 1
12 2803 1 1 17 PHL HE1 H 7.199 6.444 -2.338 1.00 . A A . 17 PHL HE1 1 1
12 2804 1 1 17 PHL HE2 H 11.217 7.602 -3.268 1.00 . A A . 17 PHL HE2 1 1
12 2805 1 1 17 PHL HO H 13.669 3.853 1.434 1.00 . A A . 17 PHL HO 1 1
12 2806 1 1 17 PHL HZ H 8.793 7.711 -3.741 1.00 . A A . 17 PHL HZ 1 1
12 2807 1 1 17 PHL N N 10.885 2.633 -0.934 1.00 . A A . 17 PHL N 1 1
12 2808 1 1 17 PHL O O 12.951 3.597 2.018 1.00 . A A . 17 PHL O 1 1
13 2809 1 1 1 ACE C C -11.554 -1.625 -1.000 1.00 . A A . 1 ACE C 1 1
13 2810 1 1 1 ACE CH3 C -12.322 -2.932 -1.171 1.00 . A A . 1 ACE CH3 1 1
13 2811 1 1 1 ACE H1 H -13.390 -2.756 -1.396 1.00 . A A . 1 ACE H1 1 1
13 2812 1 1 1 ACE H2 H -11.902 -3.531 -1.999 1.00 . A A . 1 ACE H2 1 1
13 2813 1 1 1 ACE H3 H -12.266 -3.551 -0.255 1.00 . A A . 1 ACE H3 1 1
13 2814 1 1 1 ACE O O -10.535 -1.408 -1.663 1.00 . A A . 1 ACE O 1 1
13 2815 1 1 2 TRP C C -10.142 0.267 1.215 1.00 . A A . 2 TRP C 1 1
13 2816 1 1 2 TRP CA C -11.362 0.505 0.274 1.00 . A A . 2 TRP CA 1 1
13 2817 1 1 2 TRP CB C -12.334 1.555 0.887 1.00 . A A . 2 TRP CB 1 1
13 2818 1 1 2 TRP CD1 C -14.842 1.544 0.136 1.00 . A A . 2 TRP CD1 1 1
13 2819 1 1 2 TRP CD2 C -13.554 2.987 -0.970 1.00 . A A . 2 TRP CD2 1 1
13 2820 1 1 2 TRP CE2 C -14.895 3.093 -1.427 1.00 . A A . 2 TRP CE2 1 1
13 2821 1 1 2 TRP CE3 C -12.547 3.832 -1.506 1.00 . A A . 2 TRP CE3 1 1
13 2822 1 1 2 TRP CG C -13.514 2.011 0.014 1.00 . A A . 2 TRP CG 1 1
13 2823 1 1 2 TRP CH2 C -14.232 4.869 -2.928 1.00 . A A . 2 TRP CH2 1 1
13 2824 1 1 2 TRP CZ2 C -15.235 4.049 -2.413 1.00 . A A . 2 TRP CZ2 1 1
13 2825 1 1 2 TRP CZ3 C -12.907 4.761 -2.484 1.00 . A A . 2 TRP CZ3 1 1
13 2826 1 1 2 TRP H H -12.908 -1.082 0.378 1.00 . A A . 2 TRP H 1 1
13 2827 1 1 2 TRP HA H -10.957 0.945 -0.659 1.00 . A A . 2 TRP HA 1 1
13 2828 1 1 2 TRP HB2 H -12.725 1.178 1.852 1.00 . A A . 2 TRP HB2 1 1
13 2829 1 1 2 TRP HB3 H -11.755 2.457 1.165 1.00 . A A . 2 TRP HB3 1 1
13 2830 1 1 2 TRP HD1 H -15.165 0.795 0.844 1.00 . A A . 2 TRP HD1 1 1
13 2831 1 1 2 TRP HE1 H -16.725 2.080 -0.850 1.00 . A A . 2 TRP HE1 1 1
13 2832 1 1 2 TRP HE3 H -11.521 3.765 -1.169 1.00 . A A . 2 TRP HE3 1 1
13 2833 1 1 2 TRP HH2 H -14.483 5.607 -3.677 1.00 . A A . 2 TRP HH2 1 1
13 2834 1 1 2 TRP HZ2 H -16.255 4.151 -2.756 1.00 . A A . 2 TRP HZ2 1 1
13 2835 1 1 2 TRP HZ3 H -12.155 5.413 -2.905 1.00 . A A . 2 TRP HZ3 1 1
13 2836 1 1 2 TRP N N -12.046 -0.774 -0.087 1.00 . A A . 2 TRP N 1 1
13 2837 1 1 2 TRP NE1 N -15.711 2.198 -0.755 1.00 . A A . 2 TRP NE1 1 1
13 2838 1 1 2 TRP O O -9.028 0.673 0.870 1.00 . A A . 2 TRP O 1 1
13 2839 1 1 3 ILE C C -8.383 -2.117 2.525 1.00 . A A . 3 ILE C 1 1
13 2840 1 1 3 ILE CA C -9.193 -0.950 3.175 1.00 . A A . 3 ILE CA 1 1
13 2841 1 1 3 ILE CB C -9.558 -1.272 4.666 1.00 . A A . 3 ILE CB 1 1
13 2842 1 1 3 ILE CD1 C -10.681 -3.058 6.213 1.00 . A A . 3 ILE CD1 1 1
13 2843 1 1 3 ILE CG1 C -10.660 -2.363 4.843 1.00 . A A . 3 ILE CG1 1 1
13 2844 1 1 3 ILE CG2 C -9.874 0.009 5.475 1.00 . A A . 3 ILE CG2 1 1
13 2845 1 1 3 ILE H H -11.293 -0.751 2.518 1.00 . A A . 3 ILE H 1 1
13 2846 1 1 3 ILE HA H -8.460 -0.124 3.204 1.00 . A A . 3 ILE HA 1 1
13 2847 1 1 3 ILE HB H -8.633 -1.673 5.128 1.00 . A A . 3 ILE HB 1 1
13 2848 1 1 3 ILE HD11 H -10.835 -2.348 7.044 1.00 . A A . 3 ILE HD11 1 1
13 2849 1 1 3 ILE HD12 H -11.495 -3.803 6.267 1.00 . A A . 3 ILE HD12 1 1
13 2850 1 1 3 ILE HD13 H -9.737 -3.600 6.408 1.00 . A A . 3 ILE HD13 1 1
13 2851 1 1 3 ILE HG12 H -11.658 -1.940 4.628 1.00 . A A . 3 ILE HG12 1 1
13 2852 1 1 3 ILE HG13 H -10.523 -3.157 4.088 1.00 . A A . 3 ILE HG13 1 1
13 2853 1 1 3 ILE HG21 H -10.803 0.502 5.133 1.00 . A A . 3 ILE HG21 1 1
13 2854 1 1 3 ILE HG22 H -9.993 -0.202 6.554 1.00 . A A . 3 ILE HG22 1 1
13 2855 1 1 3 ILE HG23 H -9.058 0.751 5.391 1.00 . A A . 3 ILE HG23 1 1
13 2856 1 1 3 ILE N N -10.333 -0.424 2.365 1.00 . A A . 3 ILE N 1 1
13 2857 1 1 3 ILE O O -7.199 -2.242 2.840 1.00 . A A . 3 ILE O 1 1
13 2858 1 1 4 GLN C C -7.129 -3.141 -0.154 1.00 . A A . 4 GLN C 1 1
13 2859 1 1 4 GLN CA C -8.168 -3.856 0.757 1.00 . A A . 4 GLN CA 1 1
13 2860 1 1 4 GLN CB C -9.131 -4.748 -0.072 1.00 . A A . 4 GLN CB 1 1
13 2861 1 1 4 GLN CD C -8.312 -7.187 0.283 1.00 . A A . 4 GLN CD 1 1
13 2862 1 1 4 GLN CG C -8.521 -6.022 -0.705 1.00 . A A . 4 GLN CG 1 1
13 2863 1 1 4 GLN H H -9.947 -2.728 1.420 1.00 . A A . 4 GLN H 1 1
13 2864 1 1 4 GLN HA H -7.601 -4.510 1.447 1.00 . A A . 4 GLN HA 1 1
13 2865 1 1 4 GLN HB2 H -9.999 -5.052 0.545 1.00 . A A . 4 GLN HB2 1 1
13 2866 1 1 4 GLN HB3 H -9.578 -4.138 -0.881 1.00 . A A . 4 GLN HB3 1 1
13 2867 1 1 4 GLN HE21 H -9.653 -8.319 -0.698 1.00 . A A . 4 GLN HE21 1 1
13 2868 1 1 4 GLN HE22 H -8.844 -9.056 0.773 1.00 . A A . 4 GLN HE22 1 1
13 2869 1 1 4 GLN HG2 H -9.179 -6.339 -1.538 1.00 . A A . 4 GLN HG2 1 1
13 2870 1 1 4 GLN HG3 H -7.557 -5.789 -1.193 1.00 . A A . 4 GLN HG3 1 1
13 2871 1 1 4 GLN N N -8.958 -2.928 1.610 1.00 . A A . 4 GLN N 1 1
13 2872 1 1 4 GLN NE2 N -9.017 -8.295 0.107 1.00 . A A . 4 GLN NE2 1 1
13 2873 1 1 4 GLN O O -5.972 -3.565 -0.157 1.00 . A A . 4 GLN O 1 1
13 2874 1 1 4 GLN OE1 O -7.506 -7.107 1.211 1.00 . A A . 4 GLN OE1 1 1
13 2875 1 1 5 . C C -5.491 -0.517 -0.818 1.00 . A A . 5 DIV C 1 1
13 2876 1 1 5 . CA C -6.615 -1.203 -1.696 1.00 . A A . 5 DIV CA 1 1
13 2877 1 1 5 . CB1 C -6.020 -2.067 -2.859 1.00 . A A . 5 DIV CB1 1 1
13 2878 1 1 5 . CB2 C -7.495 -0.066 -2.285 1.00 . A A . 5 DIV CB2 1 1
13 2879 1 1 5 . CG1 C -6.927 -2.602 -3.981 1.00 . A A . 5 DIV CG1 1 1
13 2880 1 1 5 . H2 H -8.460 -1.717 -0.711 1.00 . A A . 5 DIV H2 1 1
13 2881 1 1 5 . HB11 H -5.233 -1.467 -3.302 1.00 . A A . 5 DIV HB11 1 1
13 2882 1 1 5 . HB12 H -5.478 -2.934 -2.449 1.00 . A A . 5 DIV HB12 1 1
13 2883 1 1 5 . HB21 H -7.969 0.554 -1.501 1.00 . A A . 5 DIV HB21 1 1
13 2884 1 1 5 . HB22 H -6.905 0.623 -2.919 1.00 . A A . 5 DIV HB22 1 1
13 2885 1 1 5 . HB23 H -8.324 -0.444 -2.915 1.00 . A A . 5 DIV HB23 1 1
13 2886 1 1 5 . HG11 H -7.387 -1.780 -4.558 1.00 . A A . 5 DIV HG11 1 1
13 2887 1 1 5 . HG12 H -6.351 -3.216 -4.696 1.00 . A A . 5 DIV HG12 1 1
13 2888 1 1 5 . HG13 H -7.737 -3.238 -3.583 1.00 . A A . 5 DIV HG13 1 1
13 2889 1 1 5 . N N -7.521 -2.065 -0.889 1.00 . A A . 5 DIV N 1 1
13 2890 1 1 5 . O O -4.307 -0.552 -1.177 1.00 . A A . 5 DIV O 1 1
13 2891 1 1 6 ILE C C -3.880 -0.505 1.947 1.00 . A A . 6 ILE C 1 1
13 2892 1 1 6 ILE CA C -4.825 0.586 1.329 1.00 . A A . 6 ILE CA 1 1
13 2893 1 1 6 ILE CB C -5.488 1.576 2.365 1.00 . A A . 6 ILE CB 1 1
13 2894 1 1 6 ILE CD1 C -5.073 3.942 1.385 1.00 . A A . 6 ILE CD1 1 1
13 2895 1 1 6 ILE CG1 C -4.702 2.919 2.471 1.00 . A A . 6 ILE CG1 1 1
13 2896 1 1 6 ILE CG2 C -5.751 1.005 3.784 1.00 . A A . 6 ILE CG2 1 1
13 2897 1 1 6 ILE H H -6.834 -0.008 0.602 1.00 . A A . 6 ILE H 1 1
13 2898 1 1 6 ILE HA H -4.142 1.194 0.703 1.00 . A A . 6 ILE HA 1 1
13 2899 1 1 6 ILE HB H -6.497 1.853 2.000 1.00 . A A . 6 ILE HB 1 1
13 2900 1 1 6 ILE HD11 H -6.129 4.262 1.466 1.00 . A A . 6 ILE HD11 1 1
13 2901 1 1 6 ILE HD12 H -4.458 4.855 1.470 1.00 . A A . 6 ILE HD12 1 1
13 2902 1 1 6 ILE HD13 H -4.929 3.541 0.365 1.00 . A A . 6 ILE HD13 1 1
13 2903 1 1 6 ILE HG12 H -4.867 3.405 3.451 1.00 . A A . 6 ILE HG12 1 1
13 2904 1 1 6 ILE HG13 H -3.613 2.726 2.432 1.00 . A A . 6 ILE HG13 1 1
13 2905 1 1 6 ILE HG21 H -4.814 0.828 4.344 1.00 . A A . 6 ILE HG21 1 1
13 2906 1 1 6 ILE HG22 H -6.370 1.686 4.397 1.00 . A A . 6 ILE HG22 1 1
13 2907 1 1 6 ILE HG23 H -6.285 0.040 3.751 1.00 . A A . 6 ILE HG23 1 1
13 2908 1 1 6 ILE N N -5.838 0.075 0.353 1.00 . A A . 6 ILE N 1 1
13 2909 1 1 6 ILE O O -2.757 -0.171 2.324 1.00 . A A . 6 ILE O 1 1
13 2910 1 1 7 THR C C -2.531 -3.454 1.462 1.00 . A A . 7 THR C 1 1
13 2911 1 1 7 THR CA C -3.526 -2.922 2.523 1.00 . A A . 7 THR CA 1 1
13 2912 1 1 7 THR CB C -4.433 -4.014 3.167 1.00 . A A . 7 THR CB 1 1
13 2913 1 1 7 THR CG2 C -3.703 -5.269 3.679 1.00 . A A . 7 THR CG2 1 1
13 2914 1 1 7 THR H H -5.286 -1.899 1.682 1.00 . A A . 7 THR H 1 1
13 2915 1 1 7 THR HA H -2.886 -2.532 3.324 1.00 . A A . 7 THR HA 1 1
13 2916 1 1 7 THR HB H -5.194 -4.346 2.437 1.00 . A A . 7 THR HB 1 1
13 2917 1 1 7 THR HG1 H -5.551 -2.675 3.975 1.00 . A A . 7 THR HG1 1 1
13 2918 1 1 7 THR HG21 H -4.387 -5.939 4.231 1.00 . A A . 7 THR HG21 1 1
13 2919 1 1 7 THR HG22 H -3.274 -5.863 2.850 1.00 . A A . 7 THR HG22 1 1
13 2920 1 1 7 THR HG23 H -2.874 -5.005 4.362 1.00 . A A . 7 THR HG23 1 1
13 2921 1 1 7 THR N N -4.337 -1.772 2.049 1.00 . A A . 7 THR N 1 1
13 2922 1 1 7 THR O O -1.364 -3.598 1.816 1.00 . A A . 7 THR O 1 1
13 2923 1 1 7 THR OG1 O -5.111 -3.466 4.294 1.00 . A A . 7 THR OG1 1 1
13 2924 1 1 8 ABA C C -0.873 -2.949 -1.177 1.00 . A A . 8 AIB C 1 1
13 2925 1 1 8 ABA CA C -1.975 -4.055 -0.921 1.00 . A A . 8 AIB CA 1 1
13 2926 1 1 8 ABA N N -2.936 -3.731 0.198 1.00 . A A . 8 AIB N 1 1
13 2927 1 1 8 ABA O O 0.293 -3.260 -1.454 1.00 . A A . 8 AIB O 1 1
13 2928 1 1 9 LEU C C 0.479 -0.119 0.096 1.00 . A A . 9 LEU C 1 1
13 2929 1 1 9 LEU CA C -0.306 -0.511 -1.196 1.00 . A A . 9 LEU CA 1 1
13 2930 1 1 9 LEU CB C -1.106 0.676 -1.802 1.00 . A A . 9 LEU CB 1 1
13 2931 1 1 9 LEU CD1 C -2.674 1.296 -3.751 1.00 . A A . 9 LEU CD1 1 1
13 2932 1 1 9 LEU CD2 C -0.179 1.002 -4.176 1.00 . A A . 9 LEU CD2 1 1
13 2933 1 1 9 LEU CG C -1.392 0.554 -3.329 1.00 . A A . 9 LEU CG 1 1
13 2934 1 1 9 LEU H H -2.233 -1.503 -0.809 1.00 . A A . 9 LEU H 1 1
13 2935 1 1 9 LEU HA H 0.481 -0.759 -1.930 1.00 . A A . 9 LEU HA 1 1
13 2936 1 1 9 LEU HB2 H -2.050 0.803 -1.233 1.00 . A A . 9 LEU HB2 1 1
13 2937 1 1 9 LEU HB3 H -0.552 1.613 -1.618 1.00 . A A . 9 LEU HB3 1 1
13 2938 1 1 9 LEU HD11 H -2.629 2.378 -3.537 1.00 . A A . 9 LEU HD11 1 1
13 2939 1 1 9 LEU HD12 H -2.872 1.175 -4.832 1.00 . A A . 9 LEU HD12 1 1
13 2940 1 1 9 LEU HD13 H -3.565 0.891 -3.233 1.00 . A A . 9 LEU HD13 1 1
13 2941 1 1 9 LEU HD21 H 0.734 0.436 -3.911 1.00 . A A . 9 LEU HD21 1 1
13 2942 1 1 9 LEU HD22 H -0.342 0.845 -5.258 1.00 . A A . 9 LEU HD22 1 1
13 2943 1 1 9 LEU HD23 H 0.052 2.074 -4.028 1.00 . A A . 9 LEU HD23 1 1
13 2944 1 1 9 LEU HG H -1.582 -0.511 -3.563 1.00 . A A . 9 LEU HG 1 1
13 2945 1 1 9 LEU N N -1.248 -1.658 -1.074 1.00 . A A . 9 LEU N 1 1
13 2946 1 1 9 LEU O O 1.438 0.650 -0.032 1.00 . A A . 9 LEU O 1 1
13 2947 1 1 10 ABA C C 2.406 -1.038 2.416 1.00 . A A . 10 AIB C 1 1
13 2948 1 1 10 ABA CA C 0.926 -0.478 2.568 1.00 . A A . 10 AIB CA 1 1
13 2949 1 1 10 ABA N N 0.135 -0.643 1.304 1.00 . A A . 10 AIB N 1 1
13 2950 1 1 10 ABA O O 3.329 -0.250 2.632 1.00 . A A . 10 AIB O 1 1
13 2951 1 1 11 HYP C C 4.724 -2.065 0.310 1.00 . A A . 11 HYP C 1 1
13 2952 1 1 11 HYP CA C 4.104 -2.721 1.592 1.00 . A A . 11 HYP CA 1 1
13 2953 1 1 11 HYP CB C 3.988 -4.253 1.447 1.00 . A A . 11 HYP CB 1 1
13 2954 1 1 11 HYP CD C 1.779 -3.419 1.827 1.00 . A A . 11 HYP CD 1 1
13 2955 1 1 11 HYP CG C 2.536 -4.488 1.045 1.00 . A A . 11 HYP CG 1 1
13 2956 1 1 11 HYP HA H 4.785 -2.511 2.436 1.00 . A A . 11 HYP HA 1 1
13 2957 1 1 11 HYP HB2 H 4.700 -4.682 0.722 1.00 . A A . 11 HYP HB2 1 1
13 2958 1 1 11 HYP HB3 H 4.192 -4.749 2.414 1.00 . A A . 11 HYP HB3 1 1
13 2959 1 1 11 HYP HD1 H 1.774 -5.701 2.321 1.00 . A A . 11 HYP HD1 1 1
13 2960 1 1 11 HYP HD22 H 0.877 -3.122 1.273 1.00 . A A . 11 HYP HD22 1 1
13 2961 1 1 11 HYP HD23 H 1.480 -3.803 2.823 1.00 . A A . 11 HYP HD23 1 1
13 2962 1 1 11 HYP HG H 2.423 -4.336 -0.047 1.00 . A A . 11 HYP HG 1 1
13 2963 1 1 11 HYP N N 2.729 -2.312 1.995 1.00 . A A . 11 HYP N 1 1
13 2964 1 1 11 HYP O O 5.923 -2.264 0.092 1.00 . A A . 11 HYP O 1 1
13 2965 1 1 11 HYP OD1 O 2.072 -5.783 1.410 1.00 . A A . 11 HYP OD1 1 1
13 2966 1 1 12 GLN C C 4.822 1.087 -1.150 1.00 . A A . 12 GLN C 1 1
13 2967 1 1 12 GLN CA C 4.546 -0.398 -1.549 1.00 . A A . 12 GLN CA 1 1
13 2968 1 1 12 GLN CB C 3.650 -0.462 -2.820 1.00 . A A . 12 GLN CB 1 1
13 2969 1 1 12 GLN CD C 2.658 -1.891 -4.734 1.00 . A A . 12 GLN CD 1 1
13 2970 1 1 12 GLN CG C 3.365 -1.876 -3.366 1.00 . A A . 12 GLN CG 1 1
13 2971 1 1 12 GLN H H 3.021 -1.065 -0.158 1.00 . A A . 12 GLN H 1 1
13 2972 1 1 12 GLN HA H 5.545 -0.784 -1.808 1.00 . A A . 12 GLN HA 1 1
13 2973 1 1 12 GLN HB2 H 2.685 0.041 -2.626 1.00 . A A . 12 GLN HB2 1 1
13 2974 1 1 12 GLN HB3 H 4.128 0.140 -3.617 1.00 . A A . 12 GLN HB3 1 1
13 2975 1 1 12 GLN HE21 H 1.140 -2.937 -3.966 1.00 . A A . 12 GLN HE21 1 1
13 2976 1 1 12 GLN HE22 H 1.061 -2.491 -5.754 1.00 . A A . 12 GLN HE22 1 1
13 2977 1 1 12 GLN HG2 H 4.317 -2.439 -3.438 1.00 . A A . 12 GLN HG2 1 1
13 2978 1 1 12 GLN HG3 H 2.766 -2.404 -2.593 1.00 . A A . 12 GLN HG3 1 1
13 2979 1 1 12 GLN N N 3.973 -1.263 -0.479 1.00 . A A . 12 GLN N 1 1
13 2980 1 1 12 GLN NE2 N 1.482 -2.480 -4.821 1.00 . A A . 12 GLN NE2 1 1
13 2981 1 1 12 GLN O O 5.116 1.884 -2.042 1.00 . A A . 12 GLN O 1 1
13 2982 1 1 12 GLN OE1 O 3.164 -1.379 -5.737 1.00 . A A . 12 GLN OE1 1 1
13 2983 1 1 13 ABA C C 7.101 1.995 1.010 1.00 . A A . 13 AIB C 1 1
13 2984 1 1 13 ABA CA C 5.607 2.541 0.780 1.00 . A A . 13 AIB CA 1 1
13 2985 1 1 13 ABA N N 4.804 1.443 0.156 1.00 . A A . 13 AIB N 1 1
13 2986 1 1 13 ABA O O 8.031 2.532 0.387 1.00 . A A . 13 AIB O 1 1
13 2987 1 1 14 HYP C C 9.520 -0.230 0.765 1.00 . A A . 14 HYP C 1 1
13 2988 1 1 14 HYP CA C 8.805 0.409 1.990 1.00 . A A . 14 HYP CA 1 1
13 2989 1 1 14 HYP CB C 8.712 -0.567 3.178 1.00 . A A . 14 HYP CB 1 1
13 2990 1 1 14 HYP CD C 6.452 0.153 2.601 1.00 . A A . 14 HYP CD 1 1
13 2991 1 1 14 HYP CG C 7.231 -0.882 3.408 1.00 . A A . 14 HYP CG 1 1
13 2992 1 1 14 HYP HA H 9.422 1.262 2.327 1.00 . A A . 14 HYP HA 1 1
13 2993 1 1 14 HYP HB2 H 9.277 -1.503 3.006 1.00 . A A . 14 HYP HB2 1 1
13 2994 1 1 14 HYP HB3 H 9.158 -0.106 4.081 1.00 . A A . 14 HYP HB3 1 1
13 2995 1 1 14 HYP HD1 H 7.167 0.081 5.064 1.00 . A A . 14 HYP HD1 1 1
13 2996 1 1 14 HYP HD22 H 5.729 -0.344 1.946 1.00 . A A . 14 HYP HD22 1 1
13 2997 1 1 14 HYP HD23 H 5.882 0.810 3.259 1.00 . A A . 14 HYP HD23 1 1
13 2998 1 1 14 HYP HG H 6.990 -1.898 3.042 1.00 . A A . 14 HYP HG 1 1
13 2999 1 1 14 HYP N N 7.422 0.913 1.804 1.00 . A A . 14 HYP N 1 1
13 3000 1 1 14 HYP O O 10.725 -0.008 0.633 1.00 . A A . 14 HYP O 1 1
13 3001 1 1 14 HYP OD1 O 6.908 -0.803 4.791 1.00 . A A . 14 HYP OD1 1 1
13 3002 1 1 15 ABA C C 10.117 -0.644 -2.315 1.00 . A A . 15 AIB C 1 1
13 3003 1 1 15 ABA CA C 9.456 -1.678 -1.309 1.00 . A A . 15 AIB CA 1 1
13 3004 1 1 15 ABA N N 8.841 -1.031 -0.102 1.00 . A A . 15 AIB N 1 1
13 3005 1 1 15 ABA O O 11.282 -0.860 -2.676 1.00 . A A . 15 AIB O 1 1
13 3006 1 1 16 PRO C C 11.225 2.438 -2.377 1.00 . A A . 16 PRO C 1 1
13 3007 1 1 16 PRO CA C 10.287 1.640 -3.327 1.00 . A A . 16 PRO CA 1 1
13 3008 1 1 16 PRO CB C 9.202 2.505 -3.995 1.00 . A A . 16 PRO CB 1 1
13 3009 1 1 16 PRO CD C 8.097 0.854 -2.548 1.00 . A A . 16 PRO CD 1 1
13 3010 1 1 16 PRO CG C 7.911 2.213 -3.231 1.00 . A A . 16 PRO CG 1 1
13 3011 1 1 16 PRO HA H 10.942 1.242 -4.108 1.00 . A A . 16 PRO HA 1 1
13 3012 1 1 16 PRO HB2 H 9.437 3.586 -3.993 1.00 . A A . 16 PRO HB2 1 1
13 3013 1 1 16 PRO HB3 H 9.081 2.223 -5.058 1.00 . A A . 16 PRO HB3 1 1
13 3014 1 1 16 PRO HD2 H 7.840 0.948 -1.485 1.00 . A A . 16 PRO HD2 1 1
13 3015 1 1 16 PRO HD3 H 7.425 0.080 -2.944 1.00 . A A . 16 PRO HD3 1 1
13 3016 1 1 16 PRO HG2 H 7.754 2.992 -2.462 1.00 . A A . 16 PRO HG2 1 1
13 3017 1 1 16 PRO HG3 H 7.022 2.239 -3.890 1.00 . A A . 16 PRO HG3 1 1
13 3018 1 1 16 PRO N N 9.516 0.512 -2.746 1.00 . A A . 16 PRO N 1 1
13 3019 1 1 16 PRO O O 12.245 2.948 -2.851 1.00 . A A . 16 PRO O 1 1
13 3020 1 1 17 PHL C C 12.013 2.839 1.113 1.00 . A A . 17 PHL C 1 1
13 3021 1 1 17 PHL CA C 11.544 3.554 -0.177 1.00 . A A . 17 PHL CA 1 1
13 3022 1 1 17 PHL CB C 10.573 4.730 0.112 1.00 . A A . 17 PHL CB 1 1
13 3023 1 1 17 PHL CD1 C 8.706 5.665 -1.362 1.00 . A A . 17 PHL CD1 1 1
13 3024 1 1 17 PHL CD2 C 10.987 6.146 -1.987 1.00 . A A . 17 PHL CD2 1 1
13 3025 1 1 17 PHL CE1 C 8.255 6.336 -2.496 1.00 . A A . 17 PHL CE1 1 1
13 3026 1 1 17 PHL CE2 C 10.536 6.812 -3.123 1.00 . A A . 17 PHL CE2 1 1
13 3027 1 1 17 PHL CG C 10.079 5.556 -1.099 1.00 . A A . 17 PHL CG 1 1
13 3028 1 1 17 PHL CZ C 9.168 6.907 -3.375 1.00 . A A . 17 PHL CZ 1 1
13 3029 1 1 17 PHL H2 H 9.988 2.108 -0.848 1.00 . A A . 17 PHL H2 1 1
13 3030 1 1 17 PHL HA H 12.455 3.977 -0.642 1.00 . A A . 17 PHL HA 1 1
13 3031 1 1 17 PHL HB2 H 9.710 4.307 0.659 1.00 . A A . 17 PHL HB2 1 1
13 3032 1 1 17 PHL HB3 H 11.055 5.422 0.830 1.00 . A A . 17 PHL HB3 1 1
13 3033 1 1 17 PHL HC1 H 12.612 1.935 0.879 1.00 . A A . 17 PHL HC1 1 1
13 3034 1 1 17 PHL HC2 H 11.154 2.484 1.709 1.00 . A A . 17 PHL HC2 1 1
13 3035 1 1 17 PHL HD1 H 7.991 5.207 -0.702 1.00 . A A . 17 PHL HD1 1 1
13 3036 1 1 17 PHL HD2 H 12.050 6.047 -1.820 1.00 . A A . 17 PHL HD2 1 1
13 3037 1 1 17 PHL HE1 H 7.195 6.400 -2.700 1.00 . A A . 17 PHL HE1 1 1
13 3038 1 1 17 PHL HE2 H 11.244 7.239 -3.817 1.00 . A A . 17 PHL HE2 1 1
13 3039 1 1 17 PHL HO H 13.639 3.235 2.054 1.00 . A A . 17 PHL HO 1 1
13 3040 1 1 17 PHL HZ H 8.820 7.412 -4.265 1.00 . A A . 17 PHL HZ 1 1
13 3041 1 1 17 PHL N N 10.878 2.576 -1.082 1.00 . A A . 17 PHL N 1 1
13 3042 1 1 17 PHL O O 12.813 3.705 1.912 1.00 . A A . 17 PHL O 1 1
14 3043 1 1 1 ACE C C -11.512 -1.545 -1.278 1.00 . A A . 1 ACE C 1 1
14 3044 1 1 1 ACE CH3 C -12.434 -2.745 -1.491 1.00 . A A . 1 ACE CH3 1 1
14 3045 1 1 1 ACE H1 H -13.462 -2.432 -1.749 1.00 . A A . 1 ACE H1 1 1
14 3046 1 1 1 ACE H2 H -12.068 -3.384 -2.315 1.00 . A A . 1 ACE H2 1 1
14 3047 1 1 1 ACE H3 H -12.484 -3.377 -0.584 1.00 . A A . 1 ACE H3 1 1
14 3048 1 1 1 ACE O O -10.412 -1.506 -1.827 1.00 . A A . 1 ACE O 1 1
14 3049 1 1 2 TRP C C -10.082 0.313 1.007 1.00 . A A . 2 TRP C 1 1
14 3050 1 1 2 TRP CA C -11.173 0.612 -0.068 1.00 . A A . 2 TRP CA 1 1
14 3051 1 1 2 TRP CB C -12.121 1.772 0.371 1.00 . A A . 2 TRP CB 1 1
14 3052 1 1 2 TRP CD1 C -12.436 3.419 -1.627 1.00 . A A . 2 TRP CD1 1 1
14 3053 1 1 2 TRP CD2 C -11.237 4.241 0.061 1.00 . A A . 2 TRP CD2 1 1
14 3054 1 1 2 TRP CE2 C -11.411 5.238 -0.934 1.00 . A A . 2 TRP CE2 1 1
14 3055 1 1 2 TRP CE3 C -10.539 4.539 1.261 1.00 . A A . 2 TRP CE3 1 1
14 3056 1 1 2 TRP CG C -11.892 3.097 -0.365 1.00 . A A . 2 TRP CG 1 1
14 3057 1 1 2 TRP CH2 C -10.227 6.820 0.460 1.00 . A A . 2 TRP CH2 1 1
14 3058 1 1 2 TRP CZ2 C -10.908 6.545 -0.727 1.00 . A A . 2 TRP CZ2 1 1
14 3059 1 1 2 TRP CZ3 C -10.042 5.833 1.436 1.00 . A A . 2 TRP CZ3 1 1
14 3060 1 1 2 TRP H H -12.901 -0.773 -0.060 1.00 . A A . 2 TRP H 1 1
14 3061 1 1 2 TRP HA H -10.630 0.938 -0.980 1.00 . A A . 2 TRP HA 1 1
14 3062 1 1 2 TRP HB2 H -13.186 1.499 0.228 1.00 . A A . 2 TRP HB2 1 1
14 3063 1 1 2 TRP HB3 H -12.064 1.945 1.463 1.00 . A A . 2 TRP HB3 1 1
14 3064 1 1 2 TRP HD1 H -13.037 2.745 -2.221 1.00 . A A . 2 TRP HD1 1 1
14 3065 1 1 2 TRP HE1 H -12.467 5.246 -2.834 1.00 . A A . 2 TRP HE1 1 1
14 3066 1 1 2 TRP HE3 H -10.401 3.794 2.030 1.00 . A A . 2 TRP HE3 1 1
14 3067 1 1 2 TRP HH2 H -9.844 7.816 0.633 1.00 . A A . 2 TRP HH2 1 1
14 3068 1 1 2 TRP HZ2 H -11.059 7.323 -1.462 1.00 . A A . 2 TRP HZ2 1 1
14 3069 1 1 2 TRP HZ3 H -9.517 6.083 2.346 1.00 . A A . 2 TRP HZ3 1 1
14 3070 1 1 2 TRP N N -11.972 -0.591 -0.455 1.00 . A A . 2 TRP N 1 1
14 3071 1 1 2 TRP NE1 N -12.146 4.743 -2.000 1.00 . A A . 2 TRP NE1 1 1
14 3072 1 1 2 TRP O O -8.926 0.708 0.832 1.00 . A A . 2 TRP O 1 1
14 3073 1 1 3 ILE C C -8.525 -2.103 2.440 1.00 . A A . 3 ILE C 1 1
14 3074 1 1 3 ILE CA C -9.445 -0.988 3.045 1.00 . A A . 3 ILE CA 1 1
14 3075 1 1 3 ILE CB C -10.115 -1.354 4.420 1.00 . A A . 3 ILE CB 1 1
14 3076 1 1 3 ILE CD1 C -9.569 -1.818 6.966 1.00 . A A . 3 ILE CD1 1 1
14 3077 1 1 3 ILE CG1 C -9.055 -1.658 5.526 1.00 . A A . 3 ILE CG1 1 1
14 3078 1 1 3 ILE CG2 C -11.191 -2.470 4.308 1.00 . A A . 3 ILE CG2 1 1
14 3079 1 1 3 ILE H H -11.425 -0.692 2.108 1.00 . A A . 3 ILE H 1 1
14 3080 1 1 3 ILE HA H -8.744 -0.155 3.248 1.00 . A A . 3 ILE HA 1 1
14 3081 1 1 3 ILE HB H -10.654 -0.448 4.764 1.00 . A A . 3 ILE HB 1 1
14 3082 1 1 3 ILE HD11 H -10.196 -2.722 7.086 1.00 . A A . 3 ILE HD11 1 1
14 3083 1 1 3 ILE HD12 H -8.726 -1.922 7.674 1.00 . A A . 3 ILE HD12 1 1
14 3084 1 1 3 ILE HD13 H -10.166 -0.946 7.294 1.00 . A A . 3 ILE HD13 1 1
14 3085 1 1 3 ILE HG12 H -8.475 -2.563 5.263 1.00 . A A . 3 ILE HG12 1 1
14 3086 1 1 3 ILE HG13 H -8.313 -0.837 5.534 1.00 . A A . 3 ILE HG13 1 1
14 3087 1 1 3 ILE HG21 H -10.758 -3.442 4.007 1.00 . A A . 3 ILE HG21 1 1
14 3088 1 1 3 ILE HG22 H -11.725 -2.627 5.264 1.00 . A A . 3 ILE HG22 1 1
14 3089 1 1 3 ILE HG23 H -11.968 -2.216 3.563 1.00 . A A . 3 ILE HG23 1 1
14 3090 1 1 3 ILE N N -10.438 -0.408 2.093 1.00 . A A . 3 ILE N 1 1
14 3091 1 1 3 ILE O O -7.336 -2.108 2.766 1.00 . A A . 3 ILE O 1 1
14 3092 1 1 4 GLN C C -7.107 -3.146 -0.152 1.00 . A A . 4 GLN C 1 1
14 3093 1 1 4 GLN CA C -8.150 -3.889 0.732 1.00 . A A . 4 GLN CA 1 1
14 3094 1 1 4 GLN CB C -9.013 -4.856 -0.128 1.00 . A A . 4 GLN CB 1 1
14 3095 1 1 4 GLN CD C -8.908 -6.831 -1.813 1.00 . A A . 4 GLN CD 1 1
14 3096 1 1 4 GLN CG C -8.251 -6.114 -0.620 1.00 . A A . 4 GLN CG 1 1
14 3097 1 1 4 GLN H H -10.023 -2.889 1.349 1.00 . A A . 4 GLN H 1 1
14 3098 1 1 4 GLN HA H -7.565 -4.499 1.450 1.00 . A A . 4 GLN HA 1 1
14 3099 1 1 4 GLN HB2 H -9.891 -5.204 0.449 1.00 . A A . 4 GLN HB2 1 1
14 3100 1 1 4 GLN HB3 H -9.441 -4.303 -0.988 1.00 . A A . 4 GLN HB3 1 1
14 3101 1 1 4 GLN HE21 H -9.210 -8.481 -0.714 1.00 . A A . 4 GLN HE21 1 1
14 3102 1 1 4 GLN HE22 H -9.722 -8.537 -2.474 1.00 . A A . 4 GLN HE22 1 1
14 3103 1 1 4 GLN HG2 H -7.227 -5.840 -0.938 1.00 . A A . 4 GLN HG2 1 1
14 3104 1 1 4 GLN HG3 H -8.101 -6.805 0.235 1.00 . A A . 4 GLN HG3 1 1
14 3105 1 1 4 GLN N N -9.023 -2.991 1.547 1.00 . A A . 4 GLN N 1 1
14 3106 1 1 4 GLN NE2 N -9.346 -8.067 -1.643 1.00 . A A . 4 GLN NE2 1 1
14 3107 1 1 4 GLN O O -5.950 -3.571 -0.159 1.00 . A A . 4 GLN O 1 1
14 3108 1 1 4 GLN OE1 O -8.991 -6.287 -2.914 1.00 . A A . 4 GLN OE1 1 1
14 3109 1 1 5 . C C -5.429 -0.576 -0.889 1.00 . A A . 5 DIV C 1 1
14 3110 1 1 5 . CA C -6.610 -1.228 -1.720 1.00 . A A . 5 DIV CA 1 1
14 3111 1 1 5 . CB1 C -6.095 -2.124 -2.897 1.00 . A A . 5 DIV CB1 1 1
14 3112 1 1 5 . CB2 C -7.473 -0.068 -2.300 1.00 . A A . 5 DIV CB2 1 1
14 3113 1 1 5 . CG1 C -7.069 -2.657 -3.970 1.00 . A A . 5 DIV CG1 1 1
14 3114 1 1 5 . H2 H -8.441 -1.730 -0.669 1.00 . A A . 5 DIV H2 1 1
14 3115 1 1 5 . HB11 H -5.313 -1.550 -3.382 1.00 . A A . 5 DIV HB11 1 1
14 3116 1 1 5 . HB12 H -5.548 -2.995 -2.500 1.00 . A A . 5 DIV HB12 1 1
14 3117 1 1 5 . HB21 H -7.966 0.529 -1.512 1.00 . A A . 5 DIV HB21 1 1
14 3118 1 1 5 . HB22 H -6.868 0.637 -2.900 1.00 . A A . 5 DIV HB22 1 1
14 3119 1 1 5 . HB23 H -8.287 -0.419 -2.960 1.00 . A A . 5 DIV HB23 1 1
14 3120 1 1 5 . HG11 H -7.505 -1.843 -4.577 1.00 . A A . 5 DIV HG11 1 1
14 3121 1 1 5 . HG12 H -6.548 -3.328 -4.676 1.00 . A A . 5 DIV HG12 1 1
14 3122 1 1 5 . HG13 H -7.903 -3.232 -3.525 1.00 . A A . 5 DIV HG13 1 1
14 3123 1 1 5 . N N -7.501 -2.063 -0.869 1.00 . A A . 5 DIV N 1 1
14 3124 1 1 5 . O O -4.257 -0.707 -1.260 1.00 . A A . 5 DIV O 1 1
14 3125 1 1 6 ILE C C -3.829 -0.535 1.895 1.00 . A A . 6 ILE C 1 1
14 3126 1 1 6 ILE CA C -4.684 0.600 1.208 1.00 . A A . 6 ILE CA 1 1
14 3127 1 1 6 ILE CB C -5.322 1.646 2.205 1.00 . A A . 6 ILE CB 1 1
14 3128 1 1 6 ILE CD1 C -5.209 3.765 0.620 1.00 . A A . 6 ILE CD1 1 1
14 3129 1 1 6 ILE CG1 C -6.052 2.854 1.530 1.00 . A A . 6 ILE CG1 1 1
14 3130 1 1 6 ILE CG2 C -4.344 2.204 3.274 1.00 . A A . 6 ILE CG2 1 1
14 3131 1 1 6 ILE H H -6.728 0.131 0.477 1.00 . A A . 6 ILE H 1 1
14 3132 1 1 6 ILE HA H -3.953 1.167 0.602 1.00 . A A . 6 ILE HA 1 1
14 3133 1 1 6 ILE HB H -6.101 1.105 2.779 1.00 . A A . 6 ILE HB 1 1
14 3134 1 1 6 ILE HD11 H -4.776 3.213 -0.234 1.00 . A A . 6 ILE HD11 1 1
14 3135 1 1 6 ILE HD12 H -5.823 4.581 0.199 1.00 . A A . 6 ILE HD12 1 1
14 3136 1 1 6 ILE HD13 H -4.373 4.238 1.167 1.00 . A A . 6 ILE HD13 1 1
14 3137 1 1 6 ILE HG12 H -6.909 2.482 0.941 1.00 . A A . 6 ILE HG12 1 1
14 3138 1 1 6 ILE HG13 H -6.520 3.483 2.309 1.00 . A A . 6 ILE HG13 1 1
14 3139 1 1 6 ILE HG21 H -3.448 2.667 2.819 1.00 . A A . 6 ILE HG21 1 1
14 3140 1 1 6 ILE HG22 H -4.818 2.972 3.913 1.00 . A A . 6 ILE HG22 1 1
14 3141 1 1 6 ILE HG23 H -3.990 1.413 3.959 1.00 . A A . 6 ILE HG23 1 1
14 3142 1 1 6 ILE N N -5.727 0.093 0.256 1.00 . A A . 6 ILE N 1 1
14 3143 1 1 6 ILE O O -2.676 -0.270 2.241 1.00 . A A . 6 ILE O 1 1
14 3144 1 1 7 THR C C -2.546 -3.488 1.445 1.00 . A A . 7 THR C 1 1
14 3145 1 1 7 THR CA C -3.557 -2.961 2.505 1.00 . A A . 7 THR CA 1 1
14 3146 1 1 7 THR CB C -4.512 -4.040 3.093 1.00 . A A . 7 THR CB 1 1
14 3147 1 1 7 THR CG2 C -3.839 -5.323 3.614 1.00 . A A . 7 THR CG2 1 1
14 3148 1 1 7 THR H H -5.317 -1.867 1.741 1.00 . A A . 7 THR H 1 1
14 3149 1 1 7 THR HA H -2.930 -2.625 3.344 1.00 . A A . 7 THR HA 1 1
14 3150 1 1 7 THR HB H -5.239 -4.336 2.314 1.00 . A A . 7 THR HB 1 1
14 3151 1 1 7 THR HG1 H -5.541 -2.624 3.891 1.00 . A A . 7 THR HG1 1 1
14 3152 1 1 7 THR HG21 H -4.581 -5.999 4.078 1.00 . A A . 7 THR HG21 1 1
14 3153 1 1 7 THR HG22 H -3.355 -5.893 2.798 1.00 . A A . 7 THR HG22 1 1
14 3154 1 1 7 THR HG23 H -3.062 -5.113 4.375 1.00 . A A . 7 THR HG23 1 1
14 3155 1 1 7 THR N N -4.345 -1.774 2.056 1.00 . A A . 7 THR N 1 1
14 3156 1 1 7 THR O O -1.383 -3.651 1.809 1.00 . A A . 7 THR O 1 1
14 3157 1 1 7 THR OG1 O -5.235 -3.484 4.189 1.00 . A A . 7 THR OG1 1 1
14 3158 1 1 8 ABA C C -0.855 -2.896 -1.157 1.00 . A A . 8 AIB C 1 1
14 3159 1 1 8 ABA CA C -1.965 -4.004 -0.957 1.00 . A A . 8 AIB CA 1 1
14 3160 1 1 8 ABA N N -2.934 -3.724 0.169 1.00 . A A . 8 AIB N 1 1
14 3161 1 1 8 ABA O O 0.318 -3.189 -1.421 1.00 . A A . 8 AIB O 1 1
14 3162 1 1 9 LEU C C 0.524 -0.181 0.230 1.00 . A A . 9 LEU C 1 1
14 3163 1 1 9 LEU CA C -0.323 -0.445 -1.063 1.00 . A A . 9 LEU CA 1 1
14 3164 1 1 9 LEU CB C -1.166 0.792 -1.494 1.00 . A A . 9 LEU CB 1 1
14 3165 1 1 9 LEU CD1 C -2.811 1.759 -3.234 1.00 . A A . 9 LEU CD1 1 1
14 3166 1 1 9 LEU CD2 C -0.453 1.197 -3.930 1.00 . A A . 9 LEU CD2 1 1
14 3167 1 1 9 LEU CG C -1.614 0.820 -2.988 1.00 . A A . 9 LEU CG 1 1
14 3168 1 1 9 LEU H H -2.225 -1.500 -0.742 1.00 . A A . 9 LEU H 1 1
14 3169 1 1 9 LEU HA H 0.415 -0.614 -1.866 1.00 . A A . 9 LEU HA 1 1
14 3170 1 1 9 LEU HB2 H -2.047 0.869 -0.829 1.00 . A A . 9 LEU HB2 1 1
14 3171 1 1 9 LEU HB3 H -0.590 1.713 -1.289 1.00 . A A . 9 LEU HB3 1 1
14 3172 1 1 9 LEU HD11 H -2.579 2.807 -2.966 1.00 . A A . 9 LEU HD11 1 1
14 3173 1 1 9 LEU HD12 H -3.122 1.754 -4.297 1.00 . A A . 9 LEU HD12 1 1
14 3174 1 1 9 LEU HD13 H -3.701 1.459 -2.651 1.00 . A A . 9 LEU HD13 1 1
14 3175 1 1 9 LEU HD21 H 0.409 0.516 -3.822 1.00 . A A . 9 LEU HD21 1 1
14 3176 1 1 9 LEU HD22 H -0.752 1.157 -4.994 1.00 . A A . 9 LEU HD22 1 1
14 3177 1 1 9 LEU HD23 H -0.082 2.219 -3.728 1.00 . A A . 9 LEU HD23 1 1
14 3178 1 1 9 LEU HG H -1.960 -0.192 -3.273 1.00 . A A . 9 LEU HG 1 1
14 3179 1 1 9 LEU N N -1.242 -1.612 -1.016 1.00 . A A . 9 LEU N 1 1
14 3180 1 1 9 LEU O O 1.507 0.557 0.122 1.00 . A A . 9 LEU O 1 1
14 3181 1 1 10 ABA C C 2.498 -1.250 2.467 1.00 . A A . 10 AIB C 1 1
14 3182 1 1 10 ABA CA C 1.020 -0.693 2.672 1.00 . A A . 10 AIB CA 1 1
14 3183 1 1 10 ABA N N 0.200 -0.765 1.418 1.00 . A A . 10 AIB N 1 1
14 3184 1 1 10 ABA O O 3.430 -0.480 2.722 1.00 . A A . 10 AIB O 1 1
14 3185 1 1 11 HYP C C 4.746 -2.123 0.208 1.00 . A A . 11 HYP C 1 1
14 3186 1 1 11 HYP CA C 4.175 -2.856 1.470 1.00 . A A . 11 HYP CA 1 1
14 3187 1 1 11 HYP CB C 4.076 -4.382 1.271 1.00 . A A . 11 HYP CB 1 1
14 3188 1 1 11 HYP CD C 1.868 -3.611 1.827 1.00 . A A . 11 HYP CD 1 1
14 3189 1 1 11 HYP CG C 2.601 -4.662 0.994 1.00 . A A . 11 HYP CG 1 1
14 3190 1 1 11 HYP HA H 4.893 -2.676 2.292 1.00 . A A . 11 HYP HA 1 1
14 3191 1 1 11 HYP HB2 H 4.729 -4.768 0.467 1.00 . A A . 11 HYP HB2 1 1
14 3192 1 1 11 HYP HB3 H 4.392 -4.903 2.193 1.00 . A A . 11 HYP HB3 1 1
14 3193 1 1 11 HYP HD1 H 1.271 -5.959 1.500 1.00 . A A . 11 HYP HD1 1 1
14 3194 1 1 11 HYP HD22 H 0.932 -3.325 1.324 1.00 . A A . 11 HYP HD22 1 1
14 3195 1 1 11 HYP HD23 H 1.626 -4.005 2.834 1.00 . A A . 11 HYP HD23 1 1
14 3196 1 1 11 HYP HG H 2.381 -4.524 -0.084 1.00 . A A . 11 HYP HG 1 1
14 3197 1 1 11 HYP N N 2.811 -2.489 1.950 1.00 . A A . 11 HYP N 1 1
14 3198 1 1 11 HYP O O 5.937 -2.297 -0.066 1.00 . A A . 11 HYP O 1 1
14 3199 1 1 11 HYP OD1 O 2.227 -5.973 1.403 1.00 . A A . 11 HYP OD1 1 1
14 3200 1 1 12 GLN C C 4.771 1.129 -1.024 1.00 . A A . 12 GLN C 1 1
14 3201 1 1 12 GLN CA C 4.500 -0.330 -1.519 1.00 . A A . 12 GLN CA 1 1
14 3202 1 1 12 GLN CB C 3.568 -0.314 -2.764 1.00 . A A . 12 GLN CB 1 1
14 3203 1 1 12 GLN CD C 2.536 -1.583 -4.749 1.00 . A A . 12 GLN CD 1 1
14 3204 1 1 12 GLN CG C 3.267 -1.685 -3.398 1.00 . A A . 12 GLN CG 1 1
14 3205 1 1 12 GLN H H 3.027 -1.105 -0.135 1.00 . A A . 12 GLN H 1 1
14 3206 1 1 12 GLN HA H 5.493 -0.691 -1.836 1.00 . A A . 12 GLN HA 1 1
14 3207 1 1 12 GLN HB2 H 2.612 0.182 -2.515 1.00 . A A . 12 GLN HB2 1 1
14 3208 1 1 12 GLN HB3 H 4.030 0.338 -3.527 1.00 . A A . 12 GLN HB3 1 1
14 3209 1 1 12 GLN HE21 H 0.976 -2.623 -4.037 1.00 . A A . 12 GLN HE21 1 1
14 3210 1 1 12 GLN HE22 H 0.911 -2.063 -5.789 1.00 . A A . 12 GLN HE22 1 1
14 3211 1 1 12 GLN HG2 H 4.216 -2.239 -3.535 1.00 . A A . 12 GLN HG2 1 1
14 3212 1 1 12 GLN HG3 H 2.683 -2.269 -2.657 1.00 . A A . 12 GLN HG3 1 1
14 3213 1 1 12 GLN N N 3.968 -1.270 -0.499 1.00 . A A . 12 GLN N 1 1
14 3214 1 1 12 GLN NE2 N 1.350 -2.149 -4.866 1.00 . A A . 12 GLN NE2 1 1
14 3215 1 1 12 GLN O O 5.004 1.993 -1.870 1.00 . A A . 12 GLN O 1 1
14 3216 1 1 12 GLN OE1 O 3.029 -0.987 -5.707 1.00 . A A . 12 GLN OE1 1 1
14 3217 1 1 13 ABA C C 7.136 1.909 1.122 1.00 . A A . 13 AIB C 1 1
14 3218 1 1 13 ABA CA C 5.631 2.450 0.967 1.00 . A A . 13 AIB CA 1 1
14 3219 1 1 13 ABA N N 4.814 1.387 0.304 1.00 . A A . 13 AIB N 1 1
14 3220 1 1 13 ABA O O 8.041 2.490 0.504 1.00 . A A . 13 AIB O 1 1
14 3221 1 1 14 HYP C C 9.560 -0.282 0.665 1.00 . A A . 14 HYP C 1 1
14 3222 1 1 14 HYP CA C 8.889 0.285 1.947 1.00 . A A . 14 HYP CA 1 1
14 3223 1 1 14 HYP CB C 8.844 -0.764 3.074 1.00 . A A . 14 HYP CB 1 1
14 3224 1 1 14 HYP CD C 6.559 -0.054 2.596 1.00 . A A . 14 HYP CD 1 1
14 3225 1 1 14 HYP CG C 7.377 -1.126 3.314 1.00 . A A . 14 HYP CG 1 1
14 3226 1 1 14 HYP HA H 9.523 1.116 2.306 1.00 . A A . 14 HYP HA 1 1
14 3227 1 1 14 HYP HB2 H 9.420 -1.675 2.823 1.00 . A A . 14 HYP HB2 1 1
14 3228 1 1 14 HYP HB3 H 9.302 -0.354 3.995 1.00 . A A . 14 HYP HB3 1 1
14 3229 1 1 14 HYP HD1 H 7.295 -0.262 5.026 1.00 . A A . 14 HYP HD1 1 1
14 3230 1 1 14 HYP HD22 H 5.841 -0.521 1.912 1.00 . A A . 14 HYP HD22 1 1
14 3231 1 1 14 HYP HD23 H 5.979 0.529 3.312 1.00 . A A . 14 HYP HD23 1 1
14 3232 1 1 14 HYP HG H 7.154 -2.123 2.888 1.00 . A A . 14 HYP HG 1 1
14 3233 1 1 14 HYP N N 7.495 0.792 1.849 1.00 . A A . 14 HYP N 1 1
14 3234 1 1 14 HYP O O 10.762 -0.057 0.513 1.00 . A A . 14 HYP O 1 1
14 3235 1 1 14 HYP OD1 O 7.085 -1.143 4.707 1.00 . A A . 14 HYP OD1 1 1
14 3236 1 1 15 ABA C C 10.047 -0.484 -2.449 1.00 . A A . 15 AIB C 1 1
14 3237 1 1 15 ABA CA C 9.428 -1.593 -1.491 1.00 . A A . 15 AIB CA 1 1
14 3238 1 1 15 ABA N N 8.847 -1.027 -0.226 1.00 . A A . 15 AIB N 1 1
14 3239 1 1 15 ABA O O 11.196 -0.668 -2.870 1.00 . A A . 15 AIB O 1 1
14 3240 1 1 16 PRO C C 11.117 2.625 -2.375 1.00 . A A . 16 PRO C 1 1
14 3241 1 1 16 PRO CA C 10.156 1.862 -3.329 1.00 . A A . 16 PRO CA 1 1
14 3242 1 1 16 PRO CB C 9.041 2.754 -3.899 1.00 . A A . 16 PRO CB 1 1
14 3243 1 1 16 PRO CD C 8.009 1.010 -2.511 1.00 . A A . 16 PRO CD 1 1
14 3244 1 1 16 PRO CG C 7.797 2.421 -3.079 1.00 . A A . 16 PRO CG 1 1
14 3245 1 1 16 PRO HA H 10.788 1.516 -4.152 1.00 . A A . 16 PRO HA 1 1
14 3246 1 1 16 PRO HB2 H 9.278 3.835 -3.863 1.00 . A A . 16 PRO HB2 1 1
14 3247 1 1 16 PRO HB3 H 8.863 2.516 -4.966 1.00 . A A . 16 PRO HB3 1 1
14 3248 1 1 16 PRO HD2 H 7.782 1.010 -1.436 1.00 . A A . 16 PRO HD2 1 1
14 3249 1 1 16 PRO HD3 H 7.338 0.261 -2.951 1.00 . A A . 16 PRO HD3 1 1
14 3250 1 1 16 PRO HG2 H 7.703 3.145 -2.250 1.00 . A A . 16 PRO HG2 1 1
14 3251 1 1 16 PRO HG3 H 6.876 2.505 -3.682 1.00 . A A . 16 PRO HG3 1 1
14 3252 1 1 16 PRO N N 9.423 0.694 -2.779 1.00 . A A . 16 PRO N 1 1
14 3253 1 1 16 PRO O O 12.079 3.217 -2.872 1.00 . A A . 16 PRO O 1 1
14 3254 1 1 17 PHL C C 12.107 2.780 1.082 1.00 . A A . 17 PHL C 1 1
14 3255 1 1 17 PHL CA C 11.553 3.571 -0.123 1.00 . A A . 17 PHL CA 1 1
14 3256 1 1 17 PHL CB C 10.589 4.705 0.312 1.00 . A A . 17 PHL CB 1 1
14 3257 1 1 17 PHL CD1 C 8.629 5.737 -0.944 1.00 . A A . 17 PHL CD1 1 1
14 3258 1 1 17 PHL CD2 C 10.853 6.278 -1.706 1.00 . A A . 17 PHL CD2 1 1
14 3259 1 1 17 PHL CE1 C 8.089 6.507 -1.969 1.00 . A A . 17 PHL CE1 1 1
14 3260 1 1 17 PHL CE2 C 10.313 7.047 -2.731 1.00 . A A . 17 PHL CE2 1 1
14 3261 1 1 17 PHL CG C 10.013 5.610 -0.802 1.00 . A A . 17 PHL CG 1 1
14 3262 1 1 17 PHL CZ C 8.932 7.167 -2.859 1.00 . A A . 17 PHL CZ 1 1
14 3263 1 1 17 PHL H2 H 9.973 2.159 -0.803 1.00 . A A . 17 PHL H2 1 1
14 3264 1 1 17 PHL HA H 12.428 4.038 -0.614 1.00 . A A . 17 PHL HA 1 1
14 3265 1 1 17 PHL HB2 H 9.766 4.230 0.882 1.00 . A A . 17 PHL HB2 1 1
14 3266 1 1 17 PHL HB3 H 11.109 5.355 1.041 1.00 . A A . 17 PHL HB3 1 1
14 3267 1 1 17 PHL HC1 H 12.658 1.881 0.747 1.00 . A A . 17 PHL HC1 1 1
14 3268 1 1 17 PHL HC2 H 11.288 2.421 1.732 1.00 . A A . 17 PHL HC2 1 1
14 3269 1 1 17 PHL HD1 H 7.964 5.226 -0.264 1.00 . A A . 17 PHL HD1 1 1
14 3270 1 1 17 PHL HD2 H 11.926 6.172 -1.633 1.00 . A A . 17 PHL HD2 1 1
14 3271 1 1 17 PHL HE1 H 7.018 6.590 -2.074 1.00 . A A . 17 PHL HE1 1 1
14 3272 1 1 17 PHL HE2 H 10.965 7.546 -3.433 1.00 . A A . 17 PHL HE2 1 1
14 3273 1 1 17 PHL HO H 13.702 3.840 1.259 1.00 . A A . 17 PHL HO 1 1
14 3274 1 1 17 PHL HZ H 8.513 7.774 -3.649 1.00 . A A . 17 PHL HZ 1 1
14 3275 1 1 17 PHL N N 10.845 2.653 -1.055 1.00 . A A . 17 PHL N 1 1
14 3276 1 1 17 PHL O O 12.992 3.585 1.852 1.00 . A A . 17 PHL O 1 1
15 3277 1 1 1 ACE C C -11.475 -1.576 -1.112 1.00 . A A . 1 ACE C 1 1
15 3278 1 1 1 ACE CH3 C -12.265 -2.860 -1.343 1.00 . A A . 1 ACE CH3 1 1
15 3279 1 1 1 ACE H1 H -13.303 -2.647 -1.660 1.00 . A A . 1 ACE H1 1 1
15 3280 1 1 1 ACE H2 H -11.792 -3.475 -2.131 1.00 . A A . 1 ACE H2 1 1
15 3281 1 1 1 ACE H3 H -12.307 -3.475 -0.424 1.00 . A A . 1 ACE H3 1 1
15 3282 1 1 1 ACE O O -10.448 -1.351 -1.751 1.00 . A A . 1 ACE O 1 1
15 3283 1 1 2 TRP C C -10.049 0.169 1.211 1.00 . A A . 2 TRP C 1 1
15 3284 1 1 2 TRP CA C -11.260 0.478 0.296 1.00 . A A . 2 TRP CA 1 1
15 3285 1 1 2 TRP CB C -12.199 1.568 0.917 1.00 . A A . 2 TRP CB 1 1
15 3286 1 1 2 TRP CD1 C -13.744 0.385 2.702 1.00 . A A . 2 TRP CD1 1 1
15 3287 1 1 2 TRP CD2 C -14.810 1.307 0.976 1.00 . A A . 2 TRP CD2 1 1
15 3288 1 1 2 TRP CE2 C -15.740 0.630 1.803 1.00 . A A . 2 TRP CE2 1 1
15 3289 1 1 2 TRP CE3 C -15.246 1.969 -0.205 1.00 . A A . 2 TRP CE3 1 1
15 3290 1 1 2 TRP CG C -13.549 1.143 1.526 1.00 . A A . 2 TRP CG 1 1
15 3291 1 1 2 TRP CH2 C -17.522 1.253 0.286 1.00 . A A . 2 TRP CH2 1 1
15 3292 1 1 2 TRP CZ2 C -17.111 0.594 1.448 1.00 . A A . 2 TRP CZ2 1 1
15 3293 1 1 2 TRP CZ3 C -16.605 1.932 -0.523 1.00 . A A . 2 TRP CZ3 1 1
15 3294 1 1 2 TRP H H -12.828 -1.080 0.278 1.00 . A A . 2 TRP H 1 1
15 3295 1 1 2 TRP HA H -10.810 0.945 -0.602 1.00 . A A . 2 TRP HA 1 1
15 3296 1 1 2 TRP HB2 H -11.656 2.179 1.665 1.00 . A A . 2 TRP HB2 1 1
15 3297 1 1 2 TRP HB3 H -12.404 2.298 0.123 1.00 . A A . 2 TRP HB3 1 1
15 3298 1 1 2 TRP HD1 H -12.952 0.047 3.354 1.00 . A A . 2 TRP HD1 1 1
15 3299 1 1 2 TRP HE1 H -15.507 -0.543 3.618 1.00 . A A . 2 TRP HE1 1 1
15 3300 1 1 2 TRP HE3 H -14.554 2.497 -0.843 1.00 . A A . 2 TRP HE3 1 1
15 3301 1 1 2 TRP HH2 H -18.566 1.241 0.009 1.00 . A A . 2 TRP HH2 1 1
15 3302 1 1 2 TRP HZ2 H -17.828 0.065 2.058 1.00 . A A . 2 TRP HZ2 1 1
15 3303 1 1 2 TRP HZ3 H -16.952 2.438 -1.413 1.00 . A A . 2 TRP HZ3 1 1
15 3304 1 1 2 TRP N N -11.964 -0.757 -0.172 1.00 . A A . 2 TRP N 1 1
15 3305 1 1 2 TRP NE1 N -15.098 0.048 2.885 1.00 . A A . 2 TRP NE1 1 1
15 3306 1 1 2 TRP O O -8.916 0.511 0.854 1.00 . A A . 2 TRP O 1 1
15 3307 1 1 3 ILE C C -8.349 -2.198 2.597 1.00 . A A . 3 ILE C 1 1
15 3308 1 1 3 ILE CA C -9.170 -1.019 3.213 1.00 . A A . 3 ILE CA 1 1
15 3309 1 1 3 ILE CB C -9.603 -1.198 4.711 1.00 . A A . 3 ILE CB 1 1
15 3310 1 1 3 ILE CD1 C -8.592 -0.919 7.109 1.00 . A A . 3 ILE CD1 1 1
15 3311 1 1 3 ILE CG1 C -8.382 -1.390 5.661 1.00 . A A . 3 ILE CG1 1 1
15 3312 1 1 3 ILE CG2 C -10.660 -2.305 4.953 1.00 . A A . 3 ILE CG2 1 1
15 3313 1 1 3 ILE H H -11.273 -0.620 2.570 1.00 . A A . 3 ILE H 1 1
15 3314 1 1 3 ILE HA H -8.428 -0.197 3.223 1.00 . A A . 3 ILE HA 1 1
15 3315 1 1 3 ILE HB H -10.080 -0.243 5.002 1.00 . A A . 3 ILE HB 1 1
15 3316 1 1 3 ILE HD11 H -9.466 -1.396 7.589 1.00 . A A . 3 ILE HD11 1 1
15 3317 1 1 3 ILE HD12 H -7.708 -1.155 7.729 1.00 . A A . 3 ILE HD12 1 1
15 3318 1 1 3 ILE HD13 H -8.739 0.177 7.160 1.00 . A A . 3 ILE HD13 1 1
15 3319 1 1 3 ILE HG12 H -8.062 -2.449 5.661 1.00 . A A . 3 ILE HG12 1 1
15 3320 1 1 3 ILE HG13 H -7.505 -0.838 5.272 1.00 . A A . 3 ILE HG13 1 1
15 3321 1 1 3 ILE HG21 H -10.293 -3.306 4.662 1.00 . A A . 3 ILE HG21 1 1
15 3322 1 1 3 ILE HG22 H -10.948 -2.364 6.018 1.00 . A A . 3 ILE HG22 1 1
15 3323 1 1 3 ILE HG23 H -11.593 -2.118 4.389 1.00 . A A . 3 ILE HG23 1 1
15 3324 1 1 3 ILE N N -10.275 -0.491 2.361 1.00 . A A . 3 ILE N 1 1
15 3325 1 1 3 ILE O O -7.150 -2.256 2.873 1.00 . A A . 3 ILE O 1 1
15 3326 1 1 4 GLN C C -7.113 -3.247 -0.103 1.00 . A A . 4 GLN C 1 1
15 3327 1 1 4 GLN CA C -8.093 -3.976 0.868 1.00 . A A . 4 GLN CA 1 1
15 3328 1 1 4 GLN CB C -8.984 -4.989 0.100 1.00 . A A . 4 GLN CB 1 1
15 3329 1 1 4 GLN CD C -10.384 -7.192 0.255 1.00 . A A . 4 GLN CD 1 1
15 3330 1 1 4 GLN CG C -9.474 -6.177 0.970 1.00 . A A . 4 GLN CG 1 1
15 3331 1 1 4 GLN H H -9.913 -2.931 1.569 1.00 . A A . 4 GLN H 1 1
15 3332 1 1 4 GLN HA H -7.446 -4.575 1.543 1.00 . A A . 4 GLN HA 1 1
15 3333 1 1 4 GLN HB2 H -9.841 -4.473 -0.373 1.00 . A A . 4 GLN HB2 1 1
15 3334 1 1 4 GLN HB3 H -8.415 -5.424 -0.748 1.00 . A A . 4 GLN HB3 1 1
15 3335 1 1 4 GLN HE21 H -10.437 -8.306 1.923 1.00 . A A . 4 GLN HE21 1 1
15 3336 1 1 4 GLN HE22 H -11.384 -8.915 0.477 1.00 . A A . 4 GLN HE22 1 1
15 3337 1 1 4 GLN HG2 H -8.589 -6.714 1.364 1.00 . A A . 4 GLN HG2 1 1
15 3338 1 1 4 GLN HG3 H -9.999 -5.791 1.865 1.00 . A A . 4 GLN HG3 1 1
15 3339 1 1 4 GLN N N -8.911 -3.071 1.731 1.00 . A A . 4 GLN N 1 1
15 3340 1 1 4 GLN NE2 N -10.775 -8.244 0.957 1.00 . A A . 4 GLN NE2 1 1
15 3341 1 1 4 GLN O O -5.958 -3.671 -0.168 1.00 . A A . 4 GLN O 1 1
15 3342 1 1 4 GLN OE1 O -10.751 -7.060 -0.914 1.00 . A A . 4 GLN OE1 1 1
15 3343 1 1 5 . C C -5.463 -0.674 -0.947 1.00 . A A . 5 DIV C 1 1
15 3344 1 1 5 . CA C -6.672 -1.343 -1.718 1.00 . A A . 5 DIV CA 1 1
15 3345 1 1 5 . CB1 C -6.184 -2.235 -2.909 1.00 . A A . 5 DIV CB1 1 1
15 3346 1 1 5 . CB2 C -7.544 -0.178 -2.281 1.00 . A A . 5 DIV CB2 1 1
15 3347 1 1 5 . CG1 C -7.193 -2.776 -3.942 1.00 . A A . 5 DIV CG1 1 1
15 3348 1 1 5 . H2 H -8.500 -1.886 -0.654 1.00 . A A . 5 DIV H2 1 1
15 3349 1 1 5 . HB11 H -5.432 -1.649 -3.429 1.00 . A A . 5 DIV HB11 1 1
15 3350 1 1 5 . HB12 H -5.612 -3.101 -2.532 1.00 . A A . 5 DIV HB12 1 1
15 3351 1 1 5 . HB21 H -8.015 0.424 -1.485 1.00 . A A . 5 DIV HB21 1 1
15 3352 1 1 5 . HB22 H -6.955 0.527 -2.895 1.00 . A A . 5 DIV HB22 1 1
15 3353 1 1 5 . HB23 H -8.372 -0.525 -2.920 1.00 . A A . 5 DIV HB23 1 1
15 3354 1 1 5 . HG11 H -7.671 -1.963 -4.517 1.00 . A A . 5 DIV HG11 1 1
15 3355 1 1 5 . HG12 H -6.686 -3.428 -4.675 1.00 . A A . 5 DIV HG12 1 1
15 3356 1 1 5 . HG13 H -7.995 -3.369 -3.464 1.00 . A A . 5 DIV HG13 1 1
15 3357 1 1 5 . N N -7.538 -2.175 -0.825 1.00 . A A . 5 DIV N 1 1
15 3358 1 1 5 . O O -4.303 -0.816 -1.346 1.00 . A A . 5 DIV O 1 1
15 3359 1 1 6 ILE C C -3.785 -0.463 1.777 1.00 . A A . 6 ILE C 1 1
15 3360 1 1 6 ILE CA C -4.662 0.627 1.050 1.00 . A A . 6 ILE CA 1 1
15 3361 1 1 6 ILE CB C -5.255 1.737 2.004 1.00 . A A . 6 ILE CB 1 1
15 3362 1 1 6 ILE CD1 C -7.017 3.682 2.155 1.00 . A A . 6 ILE CD1 1 1
15 3363 1 1 6 ILE CG1 C -6.081 2.845 1.266 1.00 . A A . 6 ILE CG1 1 1
15 3364 1 1 6 ILE CG2 C -4.154 2.444 2.845 1.00 . A A . 6 ILE CG2 1 1
15 3365 1 1 6 ILE H H -6.721 0.094 0.416 1.00 . A A . 6 ILE H 1 1
15 3366 1 1 6 ILE HA H -3.964 1.159 0.375 1.00 . A A . 6 ILE HA 1 1
15 3367 1 1 6 ILE HB H -5.933 1.226 2.716 1.00 . A A . 6 ILE HB 1 1
15 3368 1 1 6 ILE HD11 H -6.468 4.259 2.920 1.00 . A A . 6 ILE HD11 1 1
15 3369 1 1 6 ILE HD12 H -7.587 4.411 1.549 1.00 . A A . 6 ILE HD12 1 1
15 3370 1 1 6 ILE HD13 H -7.755 3.046 2.679 1.00 . A A . 6 ILE HD13 1 1
15 3371 1 1 6 ILE HG12 H -5.404 3.516 0.703 1.00 . A A . 6 ILE HG12 1 1
15 3372 1 1 6 ILE HG13 H -6.727 2.398 0.490 1.00 . A A . 6 ILE HG13 1 1
15 3373 1 1 6 ILE HG21 H -3.383 2.910 2.204 1.00 . A A . 6 ILE HG21 1 1
15 3374 1 1 6 ILE HG22 H -4.558 3.241 3.494 1.00 . A A . 6 ILE HG22 1 1
15 3375 1 1 6 ILE HG23 H -3.635 1.746 3.524 1.00 . A A . 6 ILE HG23 1 1
15 3376 1 1 6 ILE N N -5.727 0.038 0.175 1.00 . A A . 6 ILE N 1 1
15 3377 1 1 6 ILE O O -2.629 -0.167 2.090 1.00 . A A . 6 ILE O 1 1
15 3378 1 1 7 THR C C -2.508 -3.448 1.392 1.00 . A A . 7 THR C 1 1
15 3379 1 1 7 THR CA C -3.465 -2.856 2.471 1.00 . A A . 7 THR CA 1 1
15 3380 1 1 7 THR CB C -4.376 -3.904 3.181 1.00 . A A . 7 THR CB 1 1
15 3381 1 1 7 THR CG2 C -3.670 -5.166 3.713 1.00 . A A . 7 THR CG2 1 1
15 3382 1 1 7 THR H H -5.250 -1.826 1.675 1.00 . A A . 7 THR H 1 1
15 3383 1 1 7 THR HA H -2.792 -2.469 3.249 1.00 . A A . 7 THR HA 1 1
15 3384 1 1 7 THR HB H -5.161 -4.235 2.475 1.00 . A A . 7 THR HB 1 1
15 3385 1 1 7 THR HG1 H -5.470 -2.526 3.964 1.00 . A A . 7 THR HG1 1 1
15 3386 1 1 7 THR HG21 H -4.375 -5.801 4.280 1.00 . A A . 7 THR HG21 1 1
15 3387 1 1 7 THR HG22 H -3.272 -5.787 2.890 1.00 . A A . 7 THR HG22 1 1
15 3388 1 1 7 THR HG23 H -2.828 -4.926 4.388 1.00 . A A . 7 THR HG23 1 1
15 3389 1 1 7 THR N N -4.283 -1.702 2.000 1.00 . A A . 7 THR N 1 1
15 3390 1 1 7 THR O O -1.342 -3.645 1.726 1.00 . A A . 7 THR O 1 1
15 3391 1 1 7 THR OG1 O -5.007 -3.295 4.305 1.00 . A A . 7 THR OG1 1 1
15 3392 1 1 8 ABA C C -0.863 -2.993 -1.260 1.00 . A A . 8 AIB C 1 1
15 3393 1 1 8 ABA CA C -2.010 -4.055 -1.010 1.00 . A A . 8 AIB CA 1 1
15 3394 1 1 8 ABA N N -2.937 -3.709 0.134 1.00 . A A . 8 AIB N 1 1
15 3395 1 1 8 ABA O O 0.300 -3.335 -1.511 1.00 . A A . 8 AIB O 1 1
15 3396 1 1 9 LEU C C 0.532 -0.190 0.008 1.00 . A A . 9 LEU C 1 1
15 3397 1 1 9 LEU CA C -0.272 -0.554 -1.287 1.00 . A A . 9 LEU CA 1 1
15 3398 1 1 9 LEU CB C -1.086 0.642 -1.858 1.00 . A A . 9 LEU CB 1 1
15 3399 1 1 9 LEU CD1 C -2.709 1.338 -3.748 1.00 . A A . 9 LEU CD1 1 1
15 3400 1 1 9 LEU CD2 C -0.259 0.958 -4.270 1.00 . A A . 9 LEU CD2 1 1
15 3401 1 1 9 LEU CG C -1.445 0.537 -3.377 1.00 . A A . 9 LEU CG 1 1
15 3402 1 1 9 LEU H H -2.197 -1.548 -0.906 1.00 . A A . 9 LEU H 1 1
15 3403 1 1 9 LEU HA H 0.496 -0.792 -2.045 1.00 . A A . 9 LEU HA 1 1
15 3404 1 1 9 LEU HB2 H -2.004 0.773 -1.251 1.00 . A A . 9 LEU HB2 1 1
15 3405 1 1 9 LEU HB3 H -0.523 1.578 -1.694 1.00 . A A . 9 LEU HB3 1 1
15 3406 1 1 9 LEU HD11 H -2.609 2.414 -3.518 1.00 . A A . 9 LEU HD11 1 1
15 3407 1 1 9 LEU HD12 H -2.942 1.250 -4.826 1.00 . A A . 9 LEU HD12 1 1
15 3408 1 1 9 LEU HD13 H -3.601 0.968 -3.208 1.00 . A A . 9 LEU HD13 1 1
15 3409 1 1 9 LEU HD21 H 0.649 0.360 -4.061 1.00 . A A . 9 LEU HD21 1 1
15 3410 1 1 9 LEU HD22 H -0.482 0.826 -5.346 1.00 . A A . 9 LEU HD22 1 1
15 3411 1 1 9 LEU HD23 H 0.013 2.018 -4.115 1.00 . A A . 9 LEU HD23 1 1
15 3412 1 1 9 LEU HG H -1.684 -0.513 -3.618 1.00 . A A . 9 LEU HG 1 1
15 3413 1 1 9 LEU N N -1.218 -1.696 -1.176 1.00 . A A . 9 LEU N 1 1
15 3414 1 1 9 LEU O O 1.499 0.566 -0.113 1.00 . A A . 9 LEU O 1 1
15 3415 1 1 10 ABA C C 2.437 -1.107 2.388 1.00 . A A . 10 AIB C 1 1
15 3416 1 1 10 ABA CA C 0.953 -0.544 2.496 1.00 . A A . 10 AIB CA 1 1
15 3417 1 1 10 ABA N N 0.181 -0.718 1.217 1.00 . A A . 10 AIB N 1 1
15 3418 1 1 10 ABA O O 3.355 -0.319 2.626 1.00 . A A . 10 AIB O 1 1
15 3419 1 1 11 HYP C C 4.758 -2.118 0.287 1.00 . A A . 11 HYP C 1 1
15 3420 1 1 11 HYP CA C 4.153 -2.771 1.577 1.00 . A A . 11 HYP CA 1 1
15 3421 1 1 11 HYP CB C 4.050 -4.307 1.469 1.00 . A A . 11 HYP CB 1 1
15 3422 1 1 11 HYP CD C 1.825 -3.497 1.842 1.00 . A A . 11 HYP CD 1 1
15 3423 1 1 11 HYP CG C 2.595 -4.578 1.085 1.00 . A A . 11 HYP CG 1 1
15 3424 1 1 11 HYP HA H 4.842 -2.544 2.410 1.00 . A A . 11 HYP HA 1 1
15 3425 1 1 11 HYP HB2 H 4.762 -4.752 0.749 1.00 . A A . 11 HYP HB2 1 1
15 3426 1 1 11 HYP HB3 H 4.274 -4.775 2.448 1.00 . A A . 11 HYP HB3 1 1
15 3427 1 1 11 HYP HD1 H 1.580 -5.757 2.220 1.00 . A A . 11 HYP HD1 1 1
15 3428 1 1 11 HYP HD22 H 0.929 -3.223 1.271 1.00 . A A . 11 HYP HD22 1 1
15 3429 1 1 11 HYP HD23 H 1.524 -3.855 2.849 1.00 . A A . 11 HYP HD23 1 1
15 3430 1 1 11 HYP HG H 2.468 -4.451 -0.009 1.00 . A A . 11 HYP HG 1 1
15 3431 1 1 11 HYP N N 2.772 -2.379 1.983 1.00 . A A . 11 HYP N 1 1
15 3432 1 1 11 HYP O O 5.960 -2.293 0.062 1.00 . A A . 11 HYP O 1 1
15 3433 1 1 11 HYP OD1 O 2.171 -5.880 1.472 1.00 . A A . 11 HYP OD1 1 1
15 3434 1 1 12 GLN C C 4.796 1.041 -1.163 1.00 . A A . 12 GLN C 1 1
15 3435 1 1 12 GLN CA C 4.558 -0.448 -1.569 1.00 . A A . 12 GLN CA 1 1
15 3436 1 1 12 GLN CB C 3.672 -0.525 -2.843 1.00 . A A . 12 GLN CB 1 1
15 3437 1 1 12 GLN CD C 2.709 -1.938 -4.764 1.00 . A A . 12 GLN CD 1 1
15 3438 1 1 12 GLN CG C 3.393 -1.940 -3.389 1.00 . A A . 12 GLN CG 1 1
15 3439 1 1 12 GLN H H 3.045 -1.142 -0.181 1.00 . A A . 12 GLN H 1 1
15 3440 1 1 12 GLN HA H 5.563 -0.818 -1.825 1.00 . A A . 12 GLN HA 1 1
15 3441 1 1 12 GLN HB2 H 2.707 -0.010 -2.671 1.00 . A A . 12 GLN HB2 1 1
15 3442 1 1 12 GLN HB3 H 4.165 0.064 -3.635 1.00 . A A . 12 GLN HB3 1 1
15 3443 1 1 12 GLN HE21 H 1.154 -2.962 -4.028 1.00 . A A . 12 GLN HE21 1 1
15 3444 1 1 12 GLN HE22 H 1.121 -2.536 -5.816 1.00 . A A . 12 GLN HE22 1 1
15 3445 1 1 12 GLN HG2 H 4.342 -2.503 -3.439 1.00 . A A . 12 GLN HG2 1 1
15 3446 1 1 12 GLN HG3 H 2.774 -2.469 -2.629 1.00 . A A . 12 GLN HG3 1 1
15 3447 1 1 12 GLN N N 3.998 -1.322 -0.505 1.00 . A A . 12 GLN N 1 1
15 3448 1 1 12 GLN NE2 N 1.534 -2.529 -4.880 1.00 . A A . 12 GLN NE2 1 1
15 3449 1 1 12 GLN O O 5.032 1.857 -2.056 1.00 . A A . 12 GLN O 1 1
15 3450 1 1 12 GLN OE1 O 3.226 -1.405 -5.752 1.00 . A A . 12 GLN OE1 1 1
15 3451 1 1 13 ABA C C 7.080 1.999 1.013 1.00 . A A . 13 AIB C 1 1
15 3452 1 1 13 ABA CA C 5.580 2.508 0.763 1.00 . A A . 13 AIB CA 1 1
15 3453 1 1 13 ABA N N 4.793 1.392 0.148 1.00 . A A . 13 AIB N 1 1
15 3454 1 1 13 ABA O O 8.004 2.541 0.386 1.00 . A A . 13 AIB O 1 1
15 3455 1 1 14 HYP C C 9.538 -0.190 0.809 1.00 . A A . 14 HYP C 1 1
15 3456 1 1 14 HYP CA C 8.808 0.462 2.025 1.00 . A A . 14 HYP CA 1 1
15 3457 1 1 14 HYP CB C 8.724 -0.503 3.226 1.00 . A A . 14 HYP CB 1 1
15 3458 1 1 14 HYP CD C 6.458 0.144 2.601 1.00 . A A . 14 HYP CD 1 1
15 3459 1 1 14 HYP CG C 7.252 -0.855 3.440 1.00 . A A . 14 HYP CG 1 1
15 3460 1 1 14 HYP HA H 9.423 1.329 2.346 1.00 . A A . 14 HYP HA 1 1
15 3461 1 1 14 HYP HB2 H 9.316 -1.424 3.071 1.00 . A A . 14 HYP HB2 1 1
15 3462 1 1 14 HYP HB3 H 9.146 -0.018 4.129 1.00 . A A . 14 HYP HB3 1 1
15 3463 1 1 14 HYP HD1 H 7.108 0.155 5.067 1.00 . A A . 14 HYP HD1 1 1
15 3464 1 1 14 HYP HD22 H 5.780 -0.384 1.922 1.00 . A A . 14 HYP HD22 1 1
15 3465 1 1 14 HYP HD23 H 5.834 0.773 3.238 1.00 . A A . 14 HYP HD23 1 1
15 3466 1 1 14 HYP HG H 7.048 -1.883 3.097 1.00 . A A . 14 HYP HG 1 1
15 3467 1 1 14 HYP N N 7.417 0.945 1.833 1.00 . A A . 14 HYP N 1 1
15 3468 1 1 14 HYP O O 10.744 0.038 0.692 1.00 . A A . 14 HYP O 1 1
15 3469 1 1 14 HYP OD1 O 6.905 -0.750 4.815 1.00 . A A . 14 HYP OD1 1 1
15 3470 1 1 15 ABA C C 10.136 -0.611 -2.269 1.00 . A A . 15 AIB C 1 1
15 3471 1 1 15 ABA CA C 9.505 -1.655 -1.246 1.00 . A A . 15 AIB CA 1 1
15 3472 1 1 15 ABA N N 8.870 -1.006 -0.054 1.00 . A A . 15 AIB N 1 1
15 3473 1 1 15 ABA O O 11.303 -0.801 -2.636 1.00 . A A . 15 AIB O 1 1
15 3474 1 1 16 PRO C C 11.154 2.510 -2.410 1.00 . A A . 16 PRO C 1 1
15 3475 1 1 16 PRO CA C 10.236 1.661 -3.334 1.00 . A A . 16 PRO CA 1 1
15 3476 1 1 16 PRO CB C 9.126 2.488 -4.007 1.00 . A A . 16 PRO CB 1 1
15 3477 1 1 16 PRO CD C 8.077 0.838 -2.519 1.00 . A A . 16 PRO CD 1 1
15 3478 1 1 16 PRO CG C 7.858 2.188 -3.213 1.00 . A A . 16 PRO CG 1 1
15 3479 1 1 16 PRO HA H 10.895 1.260 -4.106 1.00 . A A . 16 PRO HA 1 1
15 3480 1 1 16 PRO HB2 H 9.345 3.574 -4.032 1.00 . A A . 16 PRO HB2 1 1
15 3481 1 1 16 PRO HB3 H 8.997 2.177 -5.060 1.00 . A A . 16 PRO HB3 1 1
15 3482 1 1 16 PRO HD2 H 7.829 0.929 -1.452 1.00 . A A . 16 PRO HD2 1 1
15 3483 1 1 16 PRO HD3 H 7.423 0.042 -2.905 1.00 . A A . 16 PRO HD3 1 1
15 3484 1 1 16 PRO HG2 H 7.706 2.975 -2.455 1.00 . A A . 16 PRO HG2 1 1
15 3485 1 1 16 PRO HG3 H 6.963 2.194 -3.861 1.00 . A A . 16 PRO HG3 1 1
15 3486 1 1 16 PRO N N 9.502 0.525 -2.720 1.00 . A A . 16 PRO N 1 1
15 3487 1 1 16 PRO O O 12.118 3.086 -2.922 1.00 . A A . 16 PRO O 1 1
15 3488 1 1 17 PHL C C 12.051 2.857 1.066 1.00 . A A . 17 PHL C 1 1
15 3489 1 1 17 PHL CA C 11.543 3.575 -0.199 1.00 . A A . 17 PHL CA 1 1
15 3490 1 1 17 PHL CB C 10.576 4.741 0.144 1.00 . A A . 17 PHL CB 1 1
15 3491 1 1 17 PHL CD1 C 10.946 6.248 -1.899 1.00 . A A . 17 PHL CD1 1 1
15 3492 1 1 17 PHL CD2 C 8.686 5.632 -1.314 1.00 . A A . 17 PHL CD2 1 1
15 3493 1 1 17 PHL CE1 C 10.467 6.943 -3.008 1.00 . A A . 17 PHL CE1 1 1
15 3494 1 1 17 PHL CE2 C 8.207 6.328 -2.421 1.00 . A A . 17 PHL CE2 1 1
15 3495 1 1 17 PHL CG C 10.056 5.585 -1.046 1.00 . A A . 17 PHL CG 1 1
15 3496 1 1 17 PHL CZ C 9.099 6.984 -3.266 1.00 . A A . 17 PHL CZ 1 1
15 3497 1 1 17 PHL H2 H 9.973 2.143 -0.840 1.00 . A A . 17 PHL H2 1 1
15 3498 1 1 17 PHL HA H 12.436 4.010 -0.692 1.00 . A A . 17 PHL HA 1 1
15 3499 1 1 17 PHL HB2 H 9.726 4.312 0.709 1.00 . A A . 17 PHL HB2 1 1
15 3500 1 1 17 PHL HB3 H 11.078 5.426 0.852 1.00 . A A . 17 PHL HB3 1 1
15 3501 1 1 17 PHL HC1 H 12.612 1.939 0.809 1.00 . A A . 17 PHL HC1 1 1
15 3502 1 1 17 PHL HC2 H 11.204 2.537 1.701 1.00 . A A . 17 PHL HC2 1 1
15 3503 1 1 17 PHL HD1 H 12.010 6.186 -1.729 1.00 . A A . 17 PHL HD1 1 1
15 3504 1 1 17 PHL HD2 H 7.989 5.105 -0.681 1.00 . A A . 17 PHL HD2 1 1
15 3505 1 1 17 PHL HE1 H 11.156 7.435 -3.677 1.00 . A A . 17 PHL HE1 1 1
15 3506 1 1 17 PHL HE2 H 7.148 6.345 -2.629 1.00 . A A . 17 PHL HE2 1 1
15 3507 1 1 17 PHL HO H 13.632 3.938 1.251 1.00 . A A . 17 PHL HO 1 1
15 3508 1 1 17 PHL HZ H 8.727 7.524 -4.123 1.00 . A A . 17 PHL HZ 1 1
15 3509 1 1 17 PHL N N 10.852 2.615 -1.100 1.00 . A A . 17 PHL N 1 1
15 3510 1 1 17 PHL O O 12.900 3.700 1.829 1.00 . A A . 17 PHL O 1 1
16 3511 1 1 1 ACE C C -11.637 -1.672 -0.937 1.00 . A A . 1 ACE C 1 1
16 3512 1 1 1 ACE CH3 C -12.634 -2.819 -1.083 1.00 . A A . 1 ACE CH3 1 1
16 3513 1 1 1 ACE H1 H -13.661 -2.459 -1.282 1.00 . A A . 1 ACE H1 1 1
16 3514 1 1 1 ACE H2 H -12.352 -3.482 -1.922 1.00 . A A . 1 ACE H2 1 1
16 3515 1 1 1 ACE H3 H -12.658 -3.441 -0.169 1.00 . A A . 1 ACE H3 1 1
16 3516 1 1 1 ACE O O -10.536 -1.734 -1.490 1.00 . A A . 1 ACE O 1 1
16 3517 1 1 2 TRP C C -10.014 0.273 1.108 1.00 . A A . 2 TRP C 1 1
16 3518 1 1 2 TRP CA C -11.167 0.552 0.095 1.00 . A A . 2 TRP CA 1 1
16 3519 1 1 2 TRP CB C -11.963 1.805 0.567 1.00 . A A . 2 TRP CB 1 1
16 3520 1 1 2 TRP CD1 C -13.548 2.079 -1.540 1.00 . A A . 2 TRP CD1 1 1
16 3521 1 1 2 TRP CD2 C -14.418 2.682 0.418 1.00 . A A . 2 TRP CD2 1 1
16 3522 1 1 2 TRP CE2 C -15.387 2.843 -0.603 1.00 . A A . 2 TRP CE2 1 1
16 3523 1 1 2 TRP CE3 C -14.727 3.015 1.764 1.00 . A A . 2 TRP CE3 1 1
16 3524 1 1 2 TRP CG C -13.262 2.188 -0.159 1.00 . A A . 2 TRP CG 1 1
16 3525 1 1 2 TRP CH2 C -16.961 3.661 1.045 1.00 . A A . 2 TRP CH2 1 1
16 3526 1 1 2 TRP CZ2 C -16.677 3.335 -0.285 1.00 . A A . 2 TRP CZ2 1 1
16 3527 1 1 2 TRP CZ3 C -16.002 3.504 2.050 1.00 . A A . 2 TRP CZ3 1 1
16 3528 1 1 2 TRP H H -12.979 -0.722 0.212 1.00 . A A . 2 TRP H 1 1
16 3529 1 1 2 TRP HA H -10.694 0.839 -0.866 1.00 . A A . 2 TRP HA 1 1
16 3530 1 1 2 TRP HB2 H -12.193 1.692 1.644 1.00 . A A . 2 TRP HB2 1 1
16 3531 1 1 2 TRP HB3 H -11.292 2.684 0.525 1.00 . A A . 2 TRP HB3 1 1
16 3532 1 1 2 TRP HD1 H -12.853 1.703 -2.278 1.00 . A A . 2 TRP HD1 1 1
16 3533 1 1 2 TRP HE1 H -15.344 2.453 -2.740 1.00 . A A . 2 TRP HE1 1 1
16 3534 1 1 2 TRP HE3 H -13.997 2.905 2.552 1.00 . A A . 2 TRP HE3 1 1
16 3535 1 1 2 TRP HH2 H -17.937 4.047 1.298 1.00 . A A . 2 TRP HH2 1 1
16 3536 1 1 2 TRP HZ2 H -17.427 3.459 -1.051 1.00 . A A . 2 TRP HZ2 1 1
16 3537 1 1 2 TRP HZ3 H -16.248 3.769 3.069 1.00 . A A . 2 TRP HZ3 1 1
16 3538 1 1 2 TRP N N -12.032 -0.640 -0.175 1.00 . A A . 2 TRP N 1 1
16 3539 1 1 2 TRP NE1 N -14.866 2.469 -1.831 1.00 . A A . 2 TRP NE1 1 1
16 3540 1 1 2 TRP O O -8.876 0.680 0.864 1.00 . A A . 2 TRP O 1 1
16 3541 1 1 3 ILE C C -8.373 -2.004 2.645 1.00 . A A . 3 ILE C 1 1
16 3542 1 1 3 ILE CA C -9.281 -0.864 3.217 1.00 . A A . 3 ILE CA 1 1
16 3543 1 1 3 ILE CB C -9.889 -1.188 4.639 1.00 . A A . 3 ILE CB 1 1
16 3544 1 1 3 ILE CD1 C -12.328 -0.215 4.831 1.00 . A A . 3 ILE CD1 1 1
16 3545 1 1 3 ILE CG1 C -10.849 -0.106 5.243 1.00 . A A . 3 ILE CG1 1 1
16 3546 1 1 3 ILE CG2 C -8.778 -1.464 5.689 1.00 . A A . 3 ILE CG2 1 1
16 3547 1 1 3 ILE H H -11.295 -0.692 2.321 1.00 . A A . 3 ILE H 1 1
16 3548 1 1 3 ILE HA H -8.599 -0.003 3.337 1.00 . A A . 3 ILE HA 1 1
16 3549 1 1 3 ILE HB H -10.460 -2.134 4.556 1.00 . A A . 3 ILE HB 1 1
16 3550 1 1 3 ILE HD11 H -12.749 -1.207 5.077 1.00 . A A . 3 ILE HD11 1 1
16 3551 1 1 3 ILE HD12 H -12.940 0.534 5.366 1.00 . A A . 3 ILE HD12 1 1
16 3552 1 1 3 ILE HD13 H -12.486 -0.043 3.753 1.00 . A A . 3 ILE HD13 1 1
16 3553 1 1 3 ILE HG12 H -10.849 -0.152 6.348 1.00 . A A . 3 ILE HG12 1 1
16 3554 1 1 3 ILE HG13 H -10.474 0.908 5.010 1.00 . A A . 3 ILE HG13 1 1
16 3555 1 1 3 ILE HG21 H -8.127 -0.583 5.847 1.00 . A A . 3 ILE HG21 1 1
16 3556 1 1 3 ILE HG22 H -9.198 -1.743 6.674 1.00 . A A . 3 ILE HG22 1 1
16 3557 1 1 3 ILE HG23 H -8.123 -2.305 5.393 1.00 . A A . 3 ILE HG23 1 1
16 3558 1 1 3 ILE N N -10.310 -0.414 2.236 1.00 . A A . 3 ILE N 1 1
16 3559 1 1 3 ILE O O -7.160 -1.930 2.847 1.00 . A A . 3 ILE O 1 1
16 3560 1 1 4 GLN C C -7.128 -3.274 0.058 1.00 . A A . 4 GLN C 1 1
16 3561 1 1 4 GLN CA C -8.110 -3.936 1.070 1.00 . A A . 4 GLN CA 1 1
16 3562 1 1 4 GLN CB C -9.062 -4.923 0.332 1.00 . A A . 4 GLN CB 1 1
16 3563 1 1 4 GLN CD C -8.860 -7.440 0.896 1.00 . A A . 4 GLN CD 1 1
16 3564 1 1 4 GLN CG C -9.582 -6.108 1.187 1.00 . A A . 4 GLN CG 1 1
16 3565 1 1 4 GLN H H -9.933 -2.932 1.791 1.00 . A A . 4 GLN H 1 1
16 3566 1 1 4 GLN HA H -7.475 -4.529 1.758 1.00 . A A . 4 GLN HA 1 1
16 3567 1 1 4 GLN HB2 H -9.927 -4.371 -0.085 1.00 . A A . 4 GLN HB2 1 1
16 3568 1 1 4 GLN HB3 H -8.570 -5.328 -0.574 1.00 . A A . 4 GLN HB3 1 1
16 3569 1 1 4 GLN HE21 H -10.448 -8.113 -0.132 1.00 . A A . 4 GLN HE21 1 1
16 3570 1 1 4 GLN HE22 H -8.981 -9.211 -0.045 1.00 . A A . 4 GLN HE22 1 1
16 3571 1 1 4 GLN HG2 H -9.489 -5.887 2.268 1.00 . A A . 4 GLN HG2 1 1
16 3572 1 1 4 GLN HG3 H -10.674 -6.216 1.027 1.00 . A A . 4 GLN HG3 1 1
16 3573 1 1 4 GLN N N -8.916 -2.999 1.907 1.00 . A A . 4 GLN N 1 1
16 3574 1 1 4 GLN NE2 N -9.496 -8.350 0.171 1.00 . A A . 4 GLN NE2 1 1
16 3575 1 1 4 GLN O O -5.988 -3.733 -0.022 1.00 . A A . 4 GLN O 1 1
16 3576 1 1 4 GLN OE1 O -7.719 -7.655 1.306 1.00 . A A . 4 GLN OE1 1 1
16 3577 1 1 5 . C C -5.460 -0.749 -0.863 1.00 . A A . 5 DIV C 1 1
16 3578 1 1 5 . CA C -6.682 -1.426 -1.613 1.00 . A A . 5 DIV CA 1 1
16 3579 1 1 5 . CB1 C -6.222 -2.356 -2.785 1.00 . A A . 5 DIV CB1 1 1
16 3580 1 1 5 . CB2 C -7.565 -0.278 -2.192 1.00 . A A . 5 DIV CB2 1 1
16 3581 1 1 5 . CG1 C -7.250 -2.905 -3.796 1.00 . A A . 5 DIV CG1 1 1
16 3582 1 1 5 . H2 H -8.472 -1.863 -0.469 1.00 . A A . 5 DIV H2 1 1
16 3583 1 1 5 . HB11 H -5.466 -1.796 -3.323 1.00 . A A . 5 DIV HB11 1 1
16 3584 1 1 5 . HB12 H -5.665 -3.221 -2.389 1.00 . A A . 5 DIV HB12 1 1
16 3585 1 1 5 . HB21 H -7.954 0.398 -1.411 1.00 . A A . 5 DIV HB21 1 1
16 3586 1 1 5 . HB22 H -7.006 0.360 -2.903 1.00 . A A . 5 DIV HB22 1 1
16 3587 1 1 5 . HB23 H -8.455 -0.649 -2.734 1.00 . A A . 5 DIV HB23 1 1
16 3588 1 1 5 . HG11 H -7.732 -2.096 -4.375 1.00 . A A . 5 DIV HG11 1 1
16 3589 1 1 5 . HG12 H -6.762 -3.574 -4.527 1.00 . A A . 5 DIV HG12 1 1
16 3590 1 1 5 . HG13 H -8.050 -3.482 -3.294 1.00 . A A . 5 DIV HG13 1 1
16 3591 1 1 5 . N N -7.544 -2.218 -0.688 1.00 . A A . 5 DIV N 1 1
16 3592 1 1 5 . O O -4.305 -0.911 -1.267 1.00 . A A . 5 DIV O 1 1
16 3593 1 1 6 ILE C C -3.753 -0.586 1.829 1.00 . A A . 6 ILE C 1 1
16 3594 1 1 6 ILE CA C -4.642 0.526 1.149 1.00 . A A . 6 ILE CA 1 1
16 3595 1 1 6 ILE CB C -5.259 1.558 2.172 1.00 . A A . 6 ILE CB 1 1
16 3596 1 1 6 ILE CD1 C -7.104 3.405 2.439 1.00 . A A . 6 ILE CD1 1 1
16 3597 1 1 6 ILE CG1 C -6.086 2.715 1.514 1.00 . A A . 6 ILE CG1 1 1
16 3598 1 1 6 ILE CG2 C -4.181 2.206 3.085 1.00 . A A . 6 ILE CG2 1 1
16 3599 1 1 6 ILE H H -6.699 -0.003 0.525 1.00 . A A . 6 ILE H 1 1
16 3600 1 1 6 ILE HA H -3.957 1.106 0.500 1.00 . A A . 6 ILE HA 1 1
16 3601 1 1 6 ILE HB H -5.944 0.987 2.829 1.00 . A A . 6 ILE HB 1 1
16 3602 1 1 6 ILE HD11 H -6.630 3.866 3.324 1.00 . A A . 6 ILE HD11 1 1
16 3603 1 1 6 ILE HD12 H -7.638 4.212 1.906 1.00 . A A . 6 ILE HD12 1 1
16 3604 1 1 6 ILE HD13 H -7.868 2.694 2.804 1.00 . A A . 6 ILE HD13 1 1
16 3605 1 1 6 ILE HG12 H -5.408 3.473 1.076 1.00 . A A . 6 ILE HG12 1 1
16 3606 1 1 6 ILE HG13 H -6.664 2.342 0.650 1.00 . A A . 6 ILE HG13 1 1
16 3607 1 1 6 ILE HG21 H -3.394 2.711 2.494 1.00 . A A . 6 ILE HG21 1 1
16 3608 1 1 6 ILE HG22 H -4.600 2.959 3.777 1.00 . A A . 6 ILE HG22 1 1
16 3609 1 1 6 ILE HG23 H -3.678 1.460 3.725 1.00 . A A . 6 ILE HG23 1 1
16 3610 1 1 6 ILE N N -5.710 -0.029 0.255 1.00 . A A . 6 ILE N 1 1
16 3611 1 1 6 ILE O O -2.593 -0.306 2.130 1.00 . A A . 6 ILE O 1 1
16 3612 1 1 7 THR C C -2.503 -3.570 1.468 1.00 . A A . 7 THR C 1 1
16 3613 1 1 7 THR CA C -3.474 -2.983 2.533 1.00 . A A . 7 THR CA 1 1
16 3614 1 1 7 THR CB C -4.430 -4.025 3.185 1.00 . A A . 7 THR CB 1 1
16 3615 1 1 7 THR CG2 C -3.753 -5.281 3.764 1.00 . A A . 7 THR CG2 1 1
16 3616 1 1 7 THR H H -5.221 -1.938 1.693 1.00 . A A . 7 THR H 1 1
16 3617 1 1 7 THR HA H -2.825 -2.615 3.341 1.00 . A A . 7 THR HA 1 1
16 3618 1 1 7 THR HB H -5.167 -4.359 2.433 1.00 . A A . 7 THR HB 1 1
16 3619 1 1 7 THR HG1 H -5.446 -2.568 3.919 1.00 . A A . 7 THR HG1 1 1
16 3620 1 1 7 THR HG21 H -4.491 -5.938 4.260 1.00 . A A . 7 THR HG21 1 1
16 3621 1 1 7 THR HG22 H -3.267 -5.886 2.975 1.00 . A A . 7 THR HG22 1 1
16 3622 1 1 7 THR HG23 H -2.978 -5.027 4.512 1.00 . A A . 7 THR HG23 1 1
16 3623 1 1 7 THR N N -4.264 -1.818 2.044 1.00 . A A . 7 THR N 1 1
16 3624 1 1 7 THR O O -1.335 -3.760 1.808 1.00 . A A . 7 THR O 1 1
16 3625 1 1 7 THR OG1 O -5.136 -3.412 4.260 1.00 . A A . 7 THR OG1 1 1
16 3626 1 1 8 ABA C C -0.880 -3.033 -1.174 1.00 . A A . 8 AIB C 1 1
16 3627 1 1 8 ABA CA C -2.007 -4.122 -0.943 1.00 . A A . 8 AIB CA 1 1
16 3628 1 1 8 ABA N N -2.934 -3.829 0.210 1.00 . A A . 8 AIB N 1 1
16 3629 1 1 8 ABA O O 0.281 -3.347 -1.460 1.00 . A A . 8 AIB O 1 1
16 3630 1 1 9 LEU C C 0.537 -0.283 0.156 1.00 . A A . 9 LEU C 1 1
16 3631 1 1 9 LEU CA C -0.307 -0.591 -1.128 1.00 . A A . 9 LEU CA 1 1
16 3632 1 1 9 LEU CB C -1.136 0.638 -1.602 1.00 . A A . 9 LEU CB 1 1
16 3633 1 1 9 LEU CD1 C -2.837 1.472 -3.347 1.00 . A A . 9 LEU CD1 1 1
16 3634 1 1 9 LEU CD2 C -0.437 1.040 -4.045 1.00 . A A . 9 LEU CD2 1 1
16 3635 1 1 9 LEU CG C -1.579 0.616 -3.098 1.00 . A A . 9 LEU CG 1 1
16 3636 1 1 9 LEU H H -2.219 -1.602 -0.756 1.00 . A A . 9 LEU H 1 1
16 3637 1 1 9 LEU HA H 0.433 -0.794 -1.922 1.00 . A A . 9 LEU HA 1 1
16 3638 1 1 9 LEU HB2 H -2.017 0.746 -0.941 1.00 . A A . 9 LEU HB2 1 1
16 3639 1 1 9 LEU HB3 H -0.555 1.560 -1.424 1.00 . A A . 9 LEU HB3 1 1
16 3640 1 1 9 LEU HD11 H -2.674 2.539 -3.104 1.00 . A A . 9 LEU HD11 1 1
16 3641 1 1 9 LEU HD12 H -3.166 1.416 -4.403 1.00 . A A . 9 LEU HD12 1 1
16 3642 1 1 9 LEU HD13 H -3.695 1.127 -2.740 1.00 . A A . 9 LEU HD13 1 1
16 3643 1 1 9 LEU HD21 H 0.462 0.411 -3.910 1.00 . A A . 9 LEU HD21 1 1
16 3644 1 1 9 LEU HD22 H -0.729 0.950 -5.109 1.00 . A A . 9 LEU HD22 1 1
16 3645 1 1 9 LEU HD23 H -0.127 2.088 -3.873 1.00 . A A . 9 LEU HD23 1 1
16 3646 1 1 9 LEU HG H -1.864 -0.418 -3.368 1.00 . A A . 9 LEU HG 1 1
16 3647 1 1 9 LEU N N -1.245 -1.742 -1.039 1.00 . A A . 9 LEU N 1 1
16 3648 1 1 9 LEU O O 1.502 0.476 0.033 1.00 . A A . 9 LEU O 1 1
16 3649 1 1 10 ABA C C 2.510 -1.264 2.443 1.00 . A A . 10 AIB C 1 1
16 3650 1 1 10 ABA CA C 1.027 -0.716 2.609 1.00 . A A . 10 AIB CA 1 1
16 3651 1 1 10 ABA N N 0.223 -0.852 1.352 1.00 . A A . 10 AIB N 1 1
16 3652 1 1 10 ABA O O 3.429 -0.480 2.708 1.00 . A A . 10 AIB O 1 1
16 3653 1 1 11 HYP C C 4.786 -2.158 0.247 1.00 . A A . 11 HYP C 1 1
16 3654 1 1 11 HYP CA C 4.223 -2.868 1.523 1.00 . A A . 11 HYP CA 1 1
16 3655 1 1 11 HYP CB C 4.156 -4.401 1.372 1.00 . A A . 11 HYP CB 1 1
16 3656 1 1 11 HYP CD C 1.919 -3.649 1.830 1.00 . A A . 11 HYP CD 1 1
16 3657 1 1 11 HYP CG C 2.696 -4.711 1.052 1.00 . A A . 11 HYP CG 1 1
16 3658 1 1 11 HYP HA H 4.923 -2.649 2.353 1.00 . A A . 11 HYP HA 1 1
16 3659 1 1 11 HYP HB2 H 4.848 -4.800 0.612 1.00 . A A . 11 HYP HB2 1 1
16 3660 1 1 11 HYP HB3 H 4.437 -4.886 2.324 1.00 . A A . 11 HYP HB3 1 1
16 3661 1 1 11 HYP HD1 H 1.430 -5.951 1.804 1.00 . A A . 11 HYP HD1 1 1
16 3662 1 1 11 HYP HD22 H 0.997 -3.383 1.289 1.00 . A A . 11 HYP HD22 1 1
16 3663 1 1 11 HYP HD23 H 1.639 -4.029 2.830 1.00 . A A . 11 HYP HD23 1 1
16 3664 1 1 11 HYP HG H 2.514 -4.607 -0.038 1.00 . A A . 11 HYP HG 1 1
16 3665 1 1 11 HYP N N 2.845 -2.512 1.965 1.00 . A A . 11 HYP N 1 1
16 3666 1 1 11 HYP O O 5.984 -2.310 -0.010 1.00 . A A . 11 HYP O 1 1
16 3667 1 1 11 HYP OD1 O 2.334 -6.017 1.486 1.00 . A A . 11 HYP OD1 1 1
16 3668 1 1 12 GLN C C 4.773 1.051 -1.071 1.00 . A A . 12 GLN C 1 1
16 3669 1 1 12 GLN CA C 4.514 -0.420 -1.535 1.00 . A A . 12 GLN CA 1 1
16 3670 1 1 12 GLN CB C 3.569 -0.427 -2.775 1.00 . A A . 12 GLN CB 1 1
16 3671 1 1 12 GLN CD C 2.552 -1.738 -4.750 1.00 . A A . 12 GLN CD 1 1
16 3672 1 1 12 GLN CG C 3.271 -1.809 -3.388 1.00 . A A . 12 GLN CG 1 1
16 3673 1 1 12 GLN H H 3.048 -1.180 -0.136 1.00 . A A . 12 GLN H 1 1
16 3674 1 1 12 GLN HA H 5.506 -0.778 -1.853 1.00 . A A . 12 GLN HA 1 1
16 3675 1 1 12 GLN HB2 H 2.608 0.062 -2.524 1.00 . A A . 12 GLN HB2 1 1
16 3676 1 1 12 GLN HB3 H 4.023 0.215 -3.551 1.00 . A A . 12 GLN HB3 1 1
16 3677 1 1 12 GLN HE21 H 1.039 -2.852 -4.052 1.00 . A A . 12 GLN HE21 1 1
16 3678 1 1 12 GLN HE22 H 0.967 -2.295 -5.810 1.00 . A A . 12 GLN HE22 1 1
16 3679 1 1 12 GLN HG2 H 4.219 -2.373 -3.497 1.00 . A A . 12 GLN HG2 1 1
16 3680 1 1 12 GLN HG3 H 2.679 -2.371 -2.634 1.00 . A A . 12 GLN HG3 1 1
16 3681 1 1 12 GLN N N 3.995 -1.340 -0.491 1.00 . A A . 12 GLN N 1 1
16 3682 1 1 12 GLN NE2 N 1.386 -2.342 -4.872 1.00 . A A . 12 GLN NE2 1 1
16 3683 1 1 12 GLN O O 5.032 1.889 -1.935 1.00 . A A . 12 GLN O 1 1
16 3684 1 1 12 GLN OE1 O 3.048 -1.155 -5.712 1.00 . A A . 12 GLN OE1 1 1
16 3685 1 1 13 ABA C C 7.082 1.953 1.066 1.00 . A A . 13 AIB C 1 1
16 3686 1 1 13 ABA CA C 5.568 2.454 0.897 1.00 . A A . 13 AIB CA 1 1
16 3687 1 1 13 ABA N N 4.785 1.356 0.250 1.00 . A A . 13 AIB N 1 1
16 3688 1 1 13 ABA O O 7.975 2.540 0.429 1.00 . A A . 13 AIB O 1 1
16 3689 1 1 14 HYP C C 9.569 -0.178 0.675 1.00 . A A . 14 HYP C 1 1
16 3690 1 1 14 HYP CA C 8.878 0.408 1.941 1.00 . A A . 14 HYP CA 1 1
16 3691 1 1 14 HYP CB C 8.861 -0.603 3.104 1.00 . A A . 14 HYP CB 1 1
16 3692 1 1 14 HYP CD C 6.553 0.009 2.587 1.00 . A A . 14 HYP CD 1 1
16 3693 1 1 14 HYP CG C 7.404 -1.000 3.361 1.00 . A A . 14 HYP CG 1 1
16 3694 1 1 14 HYP HA H 9.480 1.271 2.277 1.00 . A A . 14 HYP HA 1 1
16 3695 1 1 14 HYP HB2 H 9.468 -1.503 2.896 1.00 . A A . 14 HYP HB2 1 1
16 3696 1 1 14 HYP HB3 H 9.301 -0.137 4.008 1.00 . A A . 14 HYP HB3 1 1
16 3697 1 1 14 HYP HD1 H 7.323 -0.055 5.025 1.00 . A A . 14 HYP HD1 1 1
16 3698 1 1 14 HYP HD22 H 5.873 -0.513 1.908 1.00 . A A . 14 HYP HD22 1 1
16 3699 1 1 14 HYP HD23 H 5.928 0.587 3.267 1.00 . A A . 14 HYP HD23 1 1
16 3700 1 1 14 HYP HG H 7.208 -2.023 2.990 1.00 . A A . 14 HYP HG 1 1
16 3701 1 1 14 HYP N N 7.470 0.868 1.822 1.00 . A A . 14 HYP N 1 1
16 3702 1 1 14 HYP O O 10.765 0.066 0.513 1.00 . A A . 14 HYP O 1 1
16 3703 1 1 14 HYP OD1 O 7.114 -0.951 4.753 1.00 . A A . 14 HYP OD1 1 1
16 3704 1 1 15 ABA C C 10.077 -0.460 -2.434 1.00 . A A . 15 AIB C 1 1
16 3705 1 1 15 ABA CA C 9.472 -1.547 -1.443 1.00 . A A . 15 AIB CA 1 1
16 3706 1 1 15 ABA N N 8.875 -0.959 -0.198 1.00 . A A . 15 AIB N 1 1
16 3707 1 1 15 ABA O O 11.240 -0.625 -2.830 1.00 . A A . 15 AIB O 1 1
16 3708 1 1 16 PRO C C 11.059 2.681 -2.455 1.00 . A A . 16 PRO C 1 1
16 3709 1 1 16 PRO CA C 10.136 1.853 -3.398 1.00 . A A . 16 PRO CA 1 1
16 3710 1 1 16 PRO CB C 9.001 2.681 -4.029 1.00 . A A . 16 PRO CB 1 1
16 3711 1 1 16 PRO CD C 8.006 0.973 -2.570 1.00 . A A . 16 PRO CD 1 1
16 3712 1 1 16 PRO CG C 7.730 2.308 -3.269 1.00 . A A . 16 PRO CG 1 1
16 3713 1 1 16 PRO HA H 10.792 1.496 -4.198 1.00 . A A . 16 PRO HA 1 1
16 3714 1 1 16 PRO HB2 H 9.183 3.772 -4.003 1.00 . A A . 16 PRO HB2 1 1
16 3715 1 1 16 PRO HB3 H 8.886 2.419 -5.098 1.00 . A A . 16 PRO HB3 1 1
16 3716 1 1 16 PRO HD2 H 7.801 1.071 -1.495 1.00 . A A . 16 PRO HD2 1 1
16 3717 1 1 16 PRO HD3 H 7.341 0.175 -2.921 1.00 . A A . 16 PRO HD3 1 1
16 3718 1 1 16 PRO HG2 H 7.498 3.084 -2.515 1.00 . A A . 16 PRO HG2 1 1
16 3719 1 1 16 PRO HG3 H 6.851 2.248 -3.939 1.00 . A A . 16 PRO HG3 1 1
16 3720 1 1 16 PRO N N 9.425 0.684 -2.822 1.00 . A A . 16 PRO N 1 1
16 3721 1 1 16 PRO O O 12.010 3.293 -2.955 1.00 . A A . 16 PRO O 1 1
16 3722 1 1 17 PHL C C 12.041 2.889 0.996 1.00 . A A . 17 PHL C 1 1
16 3723 1 1 17 PHL CA C 11.462 3.671 -0.207 1.00 . A A . 17 PHL CA 1 1
16 3724 1 1 17 PHL CB C 10.478 4.797 0.204 1.00 . A A . 17 PHL CB 1 1
16 3725 1 1 17 PHL CD1 C 8.636 5.688 -1.335 1.00 . A A . 17 PHL CD1 1 1
16 3726 1 1 17 PHL CD2 C 10.891 6.490 -1.665 1.00 . A A . 17 PHL CD2 1 1
16 3727 1 1 17 PHL CE1 C 8.206 6.448 -2.420 1.00 . A A . 17 PHL CE1 1 1
16 3728 1 1 17 PHL CE2 C 10.461 7.244 -2.754 1.00 . A A . 17 PHL CE2 1 1
16 3729 1 1 17 PHL CG C 9.979 5.705 -0.945 1.00 . A A . 17 PHL CG 1 1
16 3730 1 1 17 PHL CZ C 9.118 7.228 -3.128 1.00 . A A . 17 PHL CZ 1 1
16 3731 1 1 17 PHL H2 H 9.906 2.232 -0.890 1.00 . A A . 17 PHL H2 1 1
16 3732 1 1 17 PHL HA H 12.331 4.160 -0.688 1.00 . A A . 17 PHL HA 1 1
16 3733 1 1 17 PHL HB2 H 9.623 4.334 0.736 1.00 . A A . 17 PHL HB2 1 1
16 3734 1 1 17 PHL HB3 H 10.965 5.439 0.962 1.00 . A A . 17 PHL HB3 1 1
16 3735 1 1 17 PHL HC1 H 12.749 2.110 0.654 1.00 . A A . 17 PHL HC1 1 1
16 3736 1 1 17 PHL HC2 H 11.255 2.355 1.552 1.00 . A A . 17 PHL HC2 1 1
16 3737 1 1 17 PHL HD1 H 7.933 5.042 -0.830 1.00 . A A . 17 PHL HD1 1 1
16 3738 1 1 17 PHL HD2 H 11.944 6.460 -1.425 1.00 . A A . 17 PHL HD2 1 1
16 3739 1 1 17 PHL HE1 H 7.169 6.414 -2.724 1.00 . A A . 17 PHL HE1 1 1
16 3740 1 1 17 PHL HE2 H 11.178 7.815 -3.325 1.00 . A A . 17 PHL HE2 1 1
16 3741 1 1 17 PHL HO H 13.441 3.207 2.267 1.00 . A A . 17 PHL HO 1 1
16 3742 1 1 17 PHL HZ H 8.789 7.802 -3.986 1.00 . A A . 17 PHL HZ 1 1
16 3743 1 1 17 PHL N N 10.776 2.732 -1.138 1.00 . A A . 17 PHL N 1 1
16 3744 1 1 17 PHL O O 12.738 3.747 1.890 1.00 . A A . 17 PHL O 1 1
17 3745 1 1 1 ACE C C -11.586 -1.112 -1.134 1.00 . A A . 1 ACE C 1 1
17 3746 1 1 1 ACE CH3 C -12.766 -2.001 -1.526 1.00 . A A . 1 ACE CH3 1 1
17 3747 1 1 1 ACE H1 H -13.653 -1.411 -1.825 1.00 . A A . 1 ACE H1 1 1
17 3748 1 1 1 ACE H2 H -12.501 -2.650 -2.381 1.00 . A A . 1 ACE H2 1 1
17 3749 1 1 1 ACE H3 H -13.059 -2.662 -0.691 1.00 . A A . 1 ACE H3 1 1
17 3750 1 1 1 ACE O O -10.445 -1.407 -1.497 1.00 . A A . 1 ACE O 1 1
17 3751 1 1 2 TRP C C -9.856 0.391 1.204 1.00 . A A . 2 TRP C 1 1
17 3752 1 1 2 TRP CA C -10.827 0.916 0.100 1.00 . A A . 2 TRP CA 1 1
17 3753 1 1 2 TRP CB C -11.483 2.263 0.531 1.00 . A A . 2 TRP CB 1 1
17 3754 1 1 2 TRP CD1 C -12.547 3.761 -1.355 1.00 . A A . 2 TRP CD1 1 1
17 3755 1 1 2 TRP CD2 C -10.393 4.143 -0.939 1.00 . A A . 2 TRP CD2 1 1
17 3756 1 1 2 TRP CE2 C -10.845 5.029 -1.951 1.00 . A A . 2 TRP CE2 1 1
17 3757 1 1 2 TRP CE3 C -9.048 4.197 -0.487 1.00 . A A . 2 TRP CE3 1 1
17 3758 1 1 2 TRP CG C -11.461 3.347 -0.556 1.00 . A A . 2 TRP CG 1 1
17 3759 1 1 2 TRP CH2 C -8.639 6.019 -2.051 1.00 . A A . 2 TRP CH2 1 1
17 3760 1 1 2 TRP CZ2 C -9.956 5.982 -2.507 1.00 . A A . 2 TRP CZ2 1 1
17 3761 1 1 2 TRP CZ3 C -8.192 5.139 -1.055 1.00 . A A . 2 TRP CZ3 1 1
17 3762 1 1 2 TRP H H -12.862 0.064 -0.132 1.00 . A A . 2 TRP H 1 1
17 3763 1 1 2 TRP HA H -10.167 1.126 -0.765 1.00 . A A . 2 TRP HA 1 1
17 3764 1 1 2 TRP HB2 H -12.516 2.111 0.901 1.00 . A A . 2 TRP HB2 1 1
17 3765 1 1 2 TRP HB3 H -10.967 2.689 1.414 1.00 . A A . 2 TRP HB3 1 1
17 3766 1 1 2 TRP HD1 H -13.543 3.345 -1.299 1.00 . A A . 2 TRP HD1 1 1
17 3767 1 1 2 TRP HE1 H -12.774 5.298 -2.906 1.00 . A A . 2 TRP HE1 1 1
17 3768 1 1 2 TRP HE3 H -8.692 3.529 0.285 1.00 . A A . 2 TRP HE3 1 1
17 3769 1 1 2 TRP HH2 H -7.951 6.741 -2.465 1.00 . A A . 2 TRP HH2 1 1
17 3770 1 1 2 TRP HZ2 H -10.289 6.675 -3.267 1.00 . A A . 2 TRP HZ2 1 1
17 3771 1 1 2 TRP HZ3 H -7.168 5.199 -0.722 1.00 . A A . 2 TRP HZ3 1 1
17 3772 1 1 2 TRP N N -11.872 -0.038 -0.380 1.00 . A A . 2 TRP N 1 1
17 3773 1 1 2 TRP NE1 N -12.183 4.805 -2.228 1.00 . A A . 2 TRP NE1 1 1
17 3774 1 1 2 TRP O O -8.698 0.819 1.210 1.00 . A A . 2 TRP O 1 1
17 3775 1 1 3 ILE C C -8.469 -2.187 2.612 1.00 . A A . 3 ILE C 1 1
17 3776 1 1 3 ILE CA C -9.409 -1.076 3.179 1.00 . A A . 3 ILE CA 1 1
17 3777 1 1 3 ILE CB C -10.161 -1.485 4.505 1.00 . A A . 3 ILE CB 1 1
17 3778 1 1 3 ILE CD1 C -12.597 -0.498 4.480 1.00 . A A . 3 ILE CD1 1 1
17 3779 1 1 3 ILE CG1 C -11.176 -0.436 5.068 1.00 . A A . 3 ILE CG1 1 1
17 3780 1 1 3 ILE CG2 C -9.157 -1.806 5.646 1.00 . A A . 3 ILE CG2 1 1
17 3781 1 1 3 ILE H H -11.272 -0.786 2.019 1.00 . A A . 3 ILE H 1 1
17 3782 1 1 3 ILE HA H -8.718 -0.261 3.445 1.00 . A A . 3 ILE HA 1 1
17 3783 1 1 3 ILE HB H -10.715 -2.424 4.311 1.00 . A A . 3 ILE HB 1 1
17 3784 1 1 3 ILE HD11 H -13.047 -1.500 4.603 1.00 . A A . 3 ILE HD11 1 1
17 3785 1 1 3 ILE HD12 H -13.265 0.221 4.991 1.00 . A A . 3 ILE HD12 1 1
17 3786 1 1 3 ILE HD13 H -12.624 -0.249 3.404 1.00 . A A . 3 ILE HD13 1 1
17 3787 1 1 3 ILE HG12 H -11.310 -0.560 6.160 1.00 . A A . 3 ILE HG12 1 1
17 3788 1 1 3 ILE HG13 H -10.773 0.586 4.954 1.00 . A A . 3 ILE HG13 1 1
17 3789 1 1 3 ILE HG21 H -8.549 -0.924 5.920 1.00 . A A . 3 ILE HG21 1 1
17 3790 1 1 3 ILE HG22 H -9.672 -2.147 6.564 1.00 . A A . 3 ILE HG22 1 1
17 3791 1 1 3 ILE HG23 H -8.456 -2.614 5.374 1.00 . A A . 3 ILE HG23 1 1
17 3792 1 1 3 ILE N N -10.293 -0.497 2.123 1.00 . A A . 3 ILE N 1 1
17 3793 1 1 3 ILE O O -7.267 -2.116 2.873 1.00 . A A . 3 ILE O 1 1
17 3794 1 1 4 GLN C C -7.094 -3.311 0.030 1.00 . A A . 4 GLN C 1 1
17 3795 1 1 4 GLN CA C -8.112 -4.030 0.963 1.00 . A A . 4 GLN CA 1 1
17 3796 1 1 4 GLN CB C -8.960 -5.080 0.199 1.00 . A A . 4 GLN CB 1 1
17 3797 1 1 4 GLN CD C -10.800 -5.736 -1.497 1.00 . A A . 4 GLN CD 1 1
17 3798 1 1 4 GLN CG C -10.041 -4.591 -0.800 1.00 . A A . 4 GLN CG 1 1
17 3799 1 1 4 GLN H H -9.976 -3.068 1.627 1.00 . A A . 4 GLN H 1 1
17 3800 1 1 4 GLN HA H -7.487 -4.615 1.668 1.00 . A A . 4 GLN HA 1 1
17 3801 1 1 4 GLN HB2 H -8.270 -5.763 -0.337 1.00 . A A . 4 GLN HB2 1 1
17 3802 1 1 4 GLN HB3 H -9.444 -5.736 0.947 1.00 . A A . 4 GLN HB3 1 1
17 3803 1 1 4 GLN HE21 H -10.474 -4.902 -3.292 1.00 . A A . 4 GLN HE21 1 1
17 3804 1 1 4 GLN HE22 H -11.394 -6.490 -3.256 1.00 . A A . 4 GLN HE22 1 1
17 3805 1 1 4 GLN HG2 H -10.776 -3.963 -0.266 1.00 . A A . 4 GLN HG2 1 1
17 3806 1 1 4 GLN HG3 H -9.571 -3.924 -1.544 1.00 . A A . 4 GLN HG3 1 1
17 3807 1 1 4 GLN N N -8.972 -3.151 1.809 1.00 . A A . 4 GLN N 1 1
17 3808 1 1 4 GLN NE2 N -10.888 -5.713 -2.818 1.00 . A A . 4 GLN NE2 1 1
17 3809 1 1 4 GLN O O -5.954 -3.770 -0.057 1.00 . A A . 4 GLN O 1 1
17 3810 1 1 4 GLN OE1 O -11.331 -6.643 -0.855 1.00 . A A . 4 GLN OE1 1 1
17 3811 1 1 5 . C C -5.403 -0.737 -0.704 1.00 . A A . 5 DIV C 1 1
17 3812 1 1 5 . CA C -6.624 -1.356 -1.506 1.00 . A A . 5 DIV CA 1 1
17 3813 1 1 5 . CB1 C -6.155 -2.223 -2.721 1.00 . A A . 5 DIV CB1 1 1
17 3814 1 1 5 . CB2 C -7.485 -0.169 -2.036 1.00 . A A . 5 DIV CB2 1 1
17 3815 1 1 5 . CG1 C -7.164 -2.729 -3.777 1.00 . A A . 5 DIV CG1 1 1
17 3816 1 1 5 . H2 H -8.458 -1.941 -0.446 1.00 . A A . 5 DIV H2 1 1
17 3817 1 1 5 . HB11 H -5.380 -1.643 -3.212 1.00 . A A . 5 DIV HB11 1 1
17 3818 1 1 5 . HB12 H -5.599 -3.108 -2.368 1.00 . A A . 5 DIV HB12 1 1
17 3819 1 1 5 . HB21 H -7.921 0.434 -1.221 1.00 . A A . 5 DIV HB21 1 1
17 3820 1 1 5 . HB22 H -6.890 0.528 -2.656 1.00 . A A . 5 DIV HB22 1 1
17 3821 1 1 5 . HB23 H -8.338 -0.491 -2.662 1.00 . A A . 5 DIV HB23 1 1
17 3822 1 1 5 . HG11 H -7.643 -1.903 -4.328 1.00 . A A . 5 DIV HG11 1 1
17 3823 1 1 5 . HG12 H -6.653 -3.359 -4.527 1.00 . A A . 5 DIV HG12 1 1
17 3824 1 1 5 . HG13 H -7.965 -3.341 -3.321 1.00 . A A . 5 DIV HG13 1 1
17 3825 1 1 5 . N N -7.494 -2.203 -0.637 1.00 . A A . 5 DIV N 1 1
17 3826 1 1 5 . O O -4.243 -0.955 -1.064 1.00 . A A . 5 DIV O 1 1
17 3827 1 1 6 ILE C C -3.757 -0.618 2.061 1.00 . A A . 6 ILE C 1 1
17 3828 1 1 6 ILE CA C -4.585 0.506 1.336 1.00 . A A . 6 ILE CA 1 1
17 3829 1 1 6 ILE CB C -5.206 1.600 2.289 1.00 . A A . 6 ILE CB 1 1
17 3830 1 1 6 ILE CD1 C -4.734 3.727 0.774 1.00 . A A . 6 ILE CD1 1 1
17 3831 1 1 6 ILE CG1 C -5.752 2.865 1.547 1.00 . A A . 6 ILE CG1 1 1
17 3832 1 1 6 ILE CG2 C -4.315 2.069 3.471 1.00 . A A . 6 ILE CG2 1 1
17 3833 1 1 6 ILE H H -6.648 0.110 0.624 1.00 . A A . 6 ILE H 1 1
17 3834 1 1 6 ILE HA H -3.841 1.029 0.706 1.00 . A A . 6 ILE HA 1 1
17 3835 1 1 6 ILE HB H -6.084 1.132 2.774 1.00 . A A . 6 ILE HB 1 1
17 3836 1 1 6 ILE HD11 H -4.249 3.164 -0.045 1.00 . A A . 6 ILE HD11 1 1
17 3837 1 1 6 ILE HD12 H -5.227 4.602 0.314 1.00 . A A . 6 ILE HD12 1 1
17 3838 1 1 6 ILE HD13 H -3.935 4.121 1.431 1.00 . A A . 6 ILE HD13 1 1
17 3839 1 1 6 ILE HG12 H -6.546 2.559 0.840 1.00 . A A . 6 ILE HG12 1 1
17 3840 1 1 6 ILE HG13 H -6.278 3.516 2.271 1.00 . A A . 6 ILE HG13 1 1
17 3841 1 1 6 ILE HG21 H -3.340 2.466 3.130 1.00 . A A . 6 ILE HG21 1 1
17 3842 1 1 6 ILE HG22 H -4.803 2.866 4.067 1.00 . A A . 6 ILE HG22 1 1
17 3843 1 1 6 ILE HG23 H -4.104 1.244 4.177 1.00 . A A . 6 ILE HG23 1 1
17 3844 1 1 6 ILE N N -5.652 -0.002 0.408 1.00 . A A . 6 ILE N 1 1
17 3845 1 1 6 ILE O O -2.620 -0.344 2.448 1.00 . A A . 6 ILE O 1 1
17 3846 1 1 7 THR C C -2.499 -3.578 1.577 1.00 . A A . 7 THR C 1 1
17 3847 1 1 7 THR CA C -3.491 -3.042 2.652 1.00 . A A . 7 THR CA 1 1
17 3848 1 1 7 THR CB C -4.455 -4.104 3.259 1.00 . A A . 7 THR CB 1 1
17 3849 1 1 7 THR CG2 C -3.793 -5.393 3.778 1.00 . A A . 7 THR CG2 1 1
17 3850 1 1 7 THR H H -5.233 -1.956 1.851 1.00 . A A . 7 THR H 1 1
17 3851 1 1 7 THR HA H -2.851 -2.705 3.479 1.00 . A A . 7 THR HA 1 1
17 3852 1 1 7 THR HB H -5.195 -4.396 2.491 1.00 . A A . 7 THR HB 1 1
17 3853 1 1 7 THR HG1 H -5.462 -2.671 4.047 1.00 . A A . 7 THR HG1 1 1
17 3854 1 1 7 THR HG21 H -4.536 -6.047 4.272 1.00 . A A . 7 THR HG21 1 1
17 3855 1 1 7 THR HG22 H -3.343 -5.981 2.957 1.00 . A A . 7 THR HG22 1 1
17 3856 1 1 7 THR HG23 H -2.996 -5.184 4.515 1.00 . A A . 7 THR HG23 1 1
17 3857 1 1 7 THR N N -4.275 -1.858 2.202 1.00 . A A . 7 THR N 1 1
17 3858 1 1 7 THR O O -1.325 -3.731 1.915 1.00 . A A . 7 THR O 1 1
17 3859 1 1 7 THR OG1 O -5.160 -3.530 4.356 1.00 . A A . 7 THR OG1 1 1
17 3860 1 1 8 ABA C C -0.865 -3.054 -1.088 1.00 . A A . 8 AIB C 1 1
17 3861 1 1 8 ABA CA C -1.984 -4.151 -0.827 1.00 . A A . 8 AIB CA 1 1
17 3862 1 1 8 ABA N N -2.920 -3.834 0.314 1.00 . A A . 8 AIB N 1 1
17 3863 1 1 8 ABA O O 0.292 -3.364 -1.389 1.00 . A A . 8 AIB O 1 1
17 3864 1 1 9 LEU C C 0.507 -0.263 0.216 1.00 . A A . 9 LEU C 1 1
17 3865 1 1 9 LEU CA C -0.323 -0.605 -1.069 1.00 . A A . 9 LEU CA 1 1
17 3866 1 1 9 LEU CB C -1.170 0.598 -1.580 1.00 . A A . 9 LEU CB 1 1
17 3867 1 1 9 LEU CD1 C -2.875 1.327 -3.383 1.00 . A A . 9 LEU CD1 1 1
17 3868 1 1 9 LEU CD2 C -0.451 0.984 -4.015 1.00 . A A . 9 LEU CD2 1 1
17 3869 1 1 9 LEU CG C -1.592 0.527 -3.082 1.00 . A A . 9 LEU CG 1 1
17 3870 1 1 9 LEU H H -2.209 -1.646 -0.635 1.00 . A A . 9 LEU H 1 1
17 3871 1 1 9 LEU HA H 0.426 -0.807 -1.856 1.00 . A A . 9 LEU HA 1 1
17 3872 1 1 9 LEU HB2 H -2.062 0.705 -0.935 1.00 . A A . 9 LEU HB2 1 1
17 3873 1 1 9 LEU HB3 H -0.614 1.539 -1.416 1.00 . A A . 9 LEU HB3 1 1
17 3874 1 1 9 LEU HD11 H -2.763 2.403 -3.153 1.00 . A A . 9 LEU HD11 1 1
17 3875 1 1 9 LEU HD12 H -3.161 1.246 -4.450 1.00 . A A . 9 LEU HD12 1 1
17 3876 1 1 9 LEU HD13 H -3.738 0.952 -2.803 1.00 . A A . 9 LEU HD13 1 1
17 3877 1 1 9 LEU HD21 H 0.474 0.402 -3.850 1.00 . A A . 9 LEU HD21 1 1
17 3878 1 1 9 LEU HD22 H -0.718 0.862 -5.083 1.00 . A A . 9 LEU HD22 1 1
17 3879 1 1 9 LEU HD23 H -0.196 2.048 -3.857 1.00 . A A . 9 LEU HD23 1 1
17 3880 1 1 9 LEU HG H -1.828 -0.522 -3.334 1.00 . A A . 9 LEU HG 1 1
17 3881 1 1 9 LEU N N -1.243 -1.767 -0.957 1.00 . A A . 9 LEU N 1 1
17 3882 1 1 9 LEU O O 1.470 0.499 0.086 1.00 . A A . 9 LEU O 1 1
17 3883 1 1 10 ABA C C 2.495 -1.224 2.483 1.00 . A A . 10 AIB C 1 1
17 3884 1 1 10 ABA CA C 1.013 -0.681 2.675 1.00 . A A . 10 AIB CA 1 1
17 3885 1 1 10 ABA N N 0.190 -0.812 1.424 1.00 . A A . 10 AIB N 1 1
17 3886 1 1 10 ABA O O 3.417 -0.438 2.716 1.00 . A A . 10 AIB O 1 1
17 3887 1 1 11 HYP C C 4.750 -2.138 0.252 1.00 . A A . 11 HYP C 1 1
17 3888 1 1 11 HYP CA C 4.198 -2.836 1.542 1.00 . A A . 11 HYP CA 1 1
17 3889 1 1 11 HYP CB C 4.117 -4.369 1.401 1.00 . A A . 11 HYP CB 1 1
17 3890 1 1 11 HYP CD C 1.886 -3.604 1.877 1.00 . A A . 11 HYP CD 1 1
17 3891 1 1 11 HYP CG C 2.652 -4.670 1.090 1.00 . A A . 11 HYP CG 1 1
17 3892 1 1 11 HYP HA H 4.914 -2.618 2.356 1.00 . A A . 11 HYP HA 1 1
17 3893 1 1 11 HYP HB2 H 4.798 -4.784 0.636 1.00 . A A . 11 HYP HB2 1 1
17 3894 1 1 11 HYP HB3 H 4.402 -4.849 2.357 1.00 . A A . 11 HYP HB3 1 1
17 3895 1 1 11 HYP HD1 H 1.441 -5.894 1.955 1.00 . A A . 11 HYP HD1 1 1
17 3896 1 1 11 HYP HD22 H 0.972 -3.330 1.334 1.00 . A A . 11 HYP HD22 1 1
17 3897 1 1 11 HYP HD23 H 1.609 -3.978 2.882 1.00 . A A . 11 HYP HD23 1 1
17 3898 1 1 11 HYP HG H 2.461 -4.555 0.004 1.00 . A A . 11 HYP HG 1 1
17 3899 1 1 11 HYP N N 2.825 -2.475 2.006 1.00 . A A . 11 HYP N 1 1
17 3900 1 1 11 HYP O O 5.949 -2.289 -0.013 1.00 . A A . 11 HYP O 1 1
17 3901 1 1 11 HYP OD1 O 2.289 -5.979 1.512 1.00 . A A . 11 HYP OD1 1 1
17 3902 1 1 12 GLN C C 4.718 1.054 -1.096 1.00 . A A . 12 GLN C 1 1
17 3903 1 1 12 GLN CA C 4.464 -0.421 -1.546 1.00 . A A . 12 GLN CA 1 1
17 3904 1 1 12 GLN CB C 3.525 -0.456 -2.785 1.00 . A A . 12 GLN CB 1 1
17 3905 1 1 12 GLN CD C 2.527 -1.791 -4.741 1.00 . A A . 12 GLN CD 1 1
17 3906 1 1 12 GLN CG C 3.229 -1.851 -3.372 1.00 . A A . 12 GLN CG 1 1
17 3907 1 1 12 GLN H H 3.009 -1.178 -0.134 1.00 . A A . 12 GLN H 1 1
17 3908 1 1 12 GLN HA H 5.459 -0.777 -1.857 1.00 . A A . 12 GLN HA 1 1
17 3909 1 1 12 GLN HB2 H 2.569 0.044 -2.547 1.00 . A A . 12 GLN HB2 1 1
17 3910 1 1 12 GLN HB3 H 3.982 0.169 -3.573 1.00 . A A . 12 GLN HB3 1 1
17 3911 1 1 12 GLN HE21 H 0.948 -2.805 -4.029 1.00 . A A . 12 GLN HE21 1 1
17 3912 1 1 12 GLN HE22 H 0.911 -2.287 -5.794 1.00 . A A . 12 GLN HE22 1 1
17 3913 1 1 12 GLN HG2 H 4.176 -2.415 -3.467 1.00 . A A . 12 GLN HG2 1 1
17 3914 1 1 12 GLN HG3 H 2.625 -2.403 -2.618 1.00 . A A . 12 GLN HG3 1 1
17 3915 1 1 12 GLN N N 3.952 -1.337 -0.490 1.00 . A A . 12 GLN N 1 1
17 3916 1 1 12 GLN NE2 N 1.333 -2.344 -4.862 1.00 . A A . 12 GLN NE2 1 1
17 3917 1 1 12 GLN O O 4.947 1.890 -1.973 1.00 . A A . 12 GLN O 1 1
17 3918 1 1 12 GLN OE1 O 3.054 -1.255 -5.715 1.00 . A A . 12 GLN OE1 1 1
17 3919 1 1 13 ABA C C 7.050 1.979 1.033 1.00 . A A . 13 AIB C 1 1
17 3920 1 1 13 ABA CA C 5.535 2.473 0.849 1.00 . A A . 13 AIB CA 1 1
17 3921 1 1 13 ABA N N 4.743 1.367 0.222 1.00 . A A . 13 AIB N 1 1
17 3922 1 1 13 ABA O O 7.941 2.559 0.392 1.00 . A A . 13 AIB O 1 1
17 3923 1 1 14 HYP C C 9.535 -0.162 0.680 1.00 . A A . 14 HYP C 1 1
17 3924 1 1 14 HYP CA C 8.841 0.448 1.936 1.00 . A A . 14 HYP CA 1 1
17 3925 1 1 14 HYP CB C 8.819 -0.552 3.108 1.00 . A A . 14 HYP CB 1 1
17 3926 1 1 14 HYP CD C 6.519 0.055 2.574 1.00 . A A . 14 HYP CD 1 1
17 3927 1 1 14 HYP CG C 7.363 -0.946 3.359 1.00 . A A . 14 HYP CG 1 1
17 3928 1 1 14 HYP HA H 9.448 1.316 2.260 1.00 . A A . 14 HYP HA 1 1
17 3929 1 1 14 HYP HB2 H 9.426 -1.455 2.908 1.00 . A A . 14 HYP HB2 1 1
17 3930 1 1 14 HYP HB3 H 9.258 -0.083 4.010 1.00 . A A . 14 HYP HB3 1 1
17 3931 1 1 14 HYP HD1 H 7.238 0.015 5.018 1.00 . A A . 14 HYP HD1 1 1
17 3932 1 1 14 HYP HD22 H 5.842 -0.473 1.894 1.00 . A A . 14 HYP HD22 1 1
17 3933 1 1 14 HYP HD23 H 5.890 0.638 3.247 1.00 . A A . 14 HYP HD23 1 1
17 3934 1 1 14 HYP HG H 7.174 -1.973 2.995 1.00 . A A . 14 HYP HG 1 1
17 3935 1 1 14 HYP N N 7.436 0.908 1.809 1.00 . A A . 14 HYP N 1 1
17 3936 1 1 14 HYP O O 10.735 0.079 0.529 1.00 . A A . 14 HYP O 1 1
17 3937 1 1 14 HYP OD1 O 7.059 -0.889 4.748 1.00 . A A . 14 HYP OD1 1 1
17 3938 1 1 15 ABA C C 10.047 -0.474 -2.416 1.00 . A A . 15 AIB C 1 1
17 3939 1 1 15 ABA CA C 9.445 -1.557 -1.421 1.00 . A A . 15 AIB CA 1 1
17 3940 1 1 15 ABA N N 8.844 -0.954 -0.186 1.00 . A A . 15 AIB N 1 1
17 3941 1 1 15 ABA O O 11.212 -0.635 -2.807 1.00 . A A . 15 AIB O 1 1
17 3942 1 1 16 PRO C C 11.009 2.674 -2.484 1.00 . A A . 16 PRO C 1 1
17 3943 1 1 16 PRO CA C 10.095 1.827 -3.414 1.00 . A A . 16 PRO CA 1 1
17 3944 1 1 16 PRO CB C 8.959 2.645 -4.052 1.00 . A A . 16 PRO CB 1 1
17 3945 1 1 16 PRO CD C 7.965 0.951 -2.577 1.00 . A A . 16 PRO CD 1 1
17 3946 1 1 16 PRO CG C 7.702 2.301 -3.256 1.00 . A A . 16 PRO CG 1 1
17 3947 1 1 16 PRO HA H 10.754 1.457 -4.204 1.00 . A A . 16 PRO HA 1 1
17 3948 1 1 16 PRO HB2 H 9.153 3.735 -4.060 1.00 . A A . 16 PRO HB2 1 1
17 3949 1 1 16 PRO HB3 H 8.826 2.348 -5.110 1.00 . A A . 16 PRO HB3 1 1
17 3950 1 1 16 PRO HD2 H 7.743 1.029 -1.504 1.00 . A A . 16 PRO HD2 1 1
17 3951 1 1 16 PRO HD3 H 7.314 0.151 -2.955 1.00 . A A . 16 PRO HD3 1 1
17 3952 1 1 16 PRO HG2 H 7.524 3.079 -2.490 1.00 . A A . 16 PRO HG2 1 1
17 3953 1 1 16 PRO HG3 H 6.805 2.280 -3.901 1.00 . A A . 16 PRO HG3 1 1
17 3954 1 1 16 PRO N N 9.390 0.664 -2.816 1.00 . A A . 16 PRO N 1 1
17 3955 1 1 16 PRO O O 11.940 3.299 -3.003 1.00 . A A . 16 PRO O 1 1
17 3956 1 1 17 PHL C C 12.009 2.933 0.965 1.00 . A A . 17 PHL C 1 1
17 3957 1 1 17 PHL CA C 11.434 3.680 -0.257 1.00 . A A . 17 PHL CA 1 1
17 3958 1 1 17 PHL CB C 10.456 4.814 0.148 1.00 . A A . 17 PHL CB 1 1
17 3959 1 1 17 PHL CD1 C 10.826 6.477 -1.761 1.00 . A A . 17 PHL CD1 1 1
17 3960 1 1 17 PHL CD2 C 8.586 5.673 -1.362 1.00 . A A . 17 PHL CD2 1 1
17 3961 1 1 17 PHL CE1 C 10.369 7.213 -2.849 1.00 . A A . 17 PHL CE1 1 1
17 3962 1 1 17 PHL CE2 C 8.126 6.415 -2.449 1.00 . A A . 17 PHL CE2 1 1
17 3963 1 1 17 PHL CG C 9.936 5.700 -1.007 1.00 . A A . 17 PHL CG 1 1
17 3964 1 1 17 PHL CZ C 9.018 7.186 -3.189 1.00 . A A . 17 PHL CZ 1 1
17 3965 1 1 17 PHL H2 H 9.880 2.224 -0.899 1.00 . A A . 17 PHL H2 1 1
17 3966 1 1 17 PHL HA H 12.300 4.153 -0.760 1.00 . A A . 17 PHL HA 1 1
17 3967 1 1 17 PHL HB2 H 9.612 4.354 0.697 1.00 . A A . 17 PHL HB2 1 1
17 3968 1 1 17 PHL HB3 H 10.957 5.471 0.882 1.00 . A A . 17 PHL HB3 1 1
17 3969 1 1 17 PHL HC1 H 12.571 2.034 0.649 1.00 . A A . 17 PHL HC1 1 1
17 3970 1 1 17 PHL HC2 H 11.204 2.578 1.633 1.00 . A A . 17 PHL HC2 1 1
17 3971 1 1 17 PHL HD1 H 11.882 6.468 -1.533 1.00 . A A . 17 PHL HD1 1 1
17 3972 1 1 17 PHL HD2 H 7.893 5.046 -0.820 1.00 . A A . 17 PHL HD2 1 1
17 3973 1 1 17 PHL HE1 H 11.067 7.789 -3.439 1.00 . A A . 17 PHL HE1 1 1
17 3974 1 1 17 PHL HE2 H 7.082 6.379 -2.722 1.00 . A A . 17 PHL HE2 1 1
17 3975 1 1 17 PHL HO H 13.550 4.079 1.075 1.00 . A A . 17 PHL HO 1 1
17 3976 1 1 17 PHL HZ H 8.664 7.760 -4.033 1.00 . A A . 17 PHL HZ 1 1
17 3977 1 1 17 PHL N N 10.743 2.728 -1.165 1.00 . A A . 17 PHL N 1 1
17 3978 1 1 17 PHL O O 12.889 3.774 1.701 1.00 . A A . 17 PHL O 1 1
18 3979 1 1 1 ACE C C -11.713 -1.770 -0.689 1.00 . A A . 1 ACE C 1 1
18 3980 1 1 1 ACE CH3 C -12.636 -2.988 -0.674 1.00 . A A . 1 ACE CH3 1 1
18 3981 1 1 1 ACE H1 H -13.698 -2.709 -0.812 1.00 . A A . 1 ACE H1 1 1
18 3982 1 1 1 ACE H2 H -12.376 -3.700 -1.478 1.00 . A A . 1 ACE H2 1 1
18 3983 1 1 1 ACE H3 H -12.548 -3.540 0.280 1.00 . A A . 1 ACE H3 1 1
18 3984 1 1 1 ACE O O -10.636 -1.812 -1.290 1.00 . A A . 1 ACE O 1 1
18 3985 1 1 2 TRP C C -10.092 0.253 1.232 1.00 . A A . 2 TRP C 1 1
18 3986 1 1 2 TRP CA C -11.272 0.503 0.245 1.00 . A A . 2 TRP CA 1 1
18 3987 1 1 2 TRP CB C -12.101 1.732 0.710 1.00 . A A . 2 TRP CB 1 1
18 3988 1 1 2 TRP CD1 C -12.820 2.912 -1.526 1.00 . A A . 2 TRP CD1 1 1
18 3989 1 1 2 TRP CD2 C -14.494 2.340 -0.176 1.00 . A A . 2 TRP CD2 1 1
18 3990 1 1 2 TRP CE2 C -15.010 3.011 -1.313 1.00 . A A . 2 TRP CE2 1 1
18 3991 1 1 2 TRP CE3 C -15.363 1.907 0.859 1.00 . A A . 2 TRP CE3 1 1
18 3992 1 1 2 TRP CG C -13.118 2.279 -0.299 1.00 . A A . 2 TRP CG 1 1
18 3993 1 1 2 TRP CH2 C -17.237 2.842 -0.382 1.00 . A A . 2 TRP CH2 1 1
18 3994 1 1 2 TRP CZ2 C -16.398 3.273 -1.415 1.00 . A A . 2 TRP CZ2 1 1
18 3995 1 1 2 TRP CZ3 C -16.728 2.169 0.732 1.00 . A A . 2 TRP CZ3 1 1
18 3996 1 1 2 TRP H H -13.048 -0.813 0.459 1.00 . A A . 2 TRP H 1 1
18 3997 1 1 2 TRP HA H -10.816 0.782 -0.726 1.00 . A A . 2 TRP HA 1 1
18 3998 1 1 2 TRP HB2 H -12.604 1.496 1.668 1.00 . A A . 2 TRP HB2 1 1
18 3999 1 1 2 TRP HB3 H -11.419 2.565 0.965 1.00 . A A . 2 TRP HB3 1 1
18 4000 1 1 2 TRP HD1 H -11.822 3.052 -1.915 1.00 . A A . 2 TRP HD1 1 1
18 4001 1 1 2 TRP HE1 H -14.053 3.886 -3.058 1.00 . A A . 2 TRP HE1 1 1
18 4002 1 1 2 TRP HE3 H -14.984 1.396 1.731 1.00 . A A . 2 TRP HE3 1 1
18 4003 1 1 2 TRP HH2 H -18.297 3.045 -0.443 1.00 . A A . 2 TRP HH2 1 1
18 4004 1 1 2 TRP HZ2 H -16.802 3.806 -2.262 1.00 . A A . 2 TRP HZ2 1 1
18 4005 1 1 2 TRP HZ3 H -17.401 1.853 1.517 1.00 . A A . 2 TRP HZ3 1 1
18 4006 1 1 2 TRP N N -12.130 -0.704 0.014 1.00 . A A . 2 TRP N 1 1
18 4007 1 1 2 TRP NE1 N -13.984 3.368 -2.175 1.00 . A A . 2 TRP NE1 1 1
18 4008 1 1 2 TRP O O -8.963 0.659 0.937 1.00 . A A . 2 TRP O 1 1
18 4009 1 1 3 ILE C C -8.346 -2.065 2.528 1.00 . A A . 3 ILE C 1 1
18 4010 1 1 3 ILE CA C -9.249 -1.005 3.219 1.00 . A A . 3 ILE CA 1 1
18 4011 1 1 3 ILE CB C -9.780 -1.441 4.636 1.00 . A A . 3 ILE CB 1 1
18 4012 1 1 3 ILE CD1 C -7.699 -0.663 6.013 1.00 . A A . 3 ILE CD1 1 1
18 4013 1 1 3 ILE CG1 C -8.674 -1.802 5.675 1.00 . A A . 3 ILE CG1 1 1
18 4014 1 1 3 ILE CG2 C -10.820 -2.593 4.601 1.00 . A A . 3 ILE CG2 1 1
18 4015 1 1 3 ILE H H -11.312 -0.745 2.476 1.00 . A A . 3 ILE H 1 1
18 4016 1 1 3 ILE HA H -8.558 -0.156 3.365 1.00 . A A . 3 ILE HA 1 1
18 4017 1 1 3 ILE HB H -10.317 -0.572 5.060 1.00 . A A . 3 ILE HB 1 1
18 4018 1 1 3 ILE HD11 H -8.232 0.229 6.392 1.00 . A A . 3 ILE HD11 1 1
18 4019 1 1 3 ILE HD12 H -6.979 -0.975 6.792 1.00 . A A . 3 ILE HD12 1 1
18 4020 1 1 3 ILE HD13 H -7.106 -0.353 5.132 1.00 . A A . 3 ILE HD13 1 1
18 4021 1 1 3 ILE HG12 H -9.140 -2.132 6.624 1.00 . A A . 3 ILE HG12 1 1
18 4022 1 1 3 ILE HG13 H -8.095 -2.678 5.329 1.00 . A A . 3 ILE HG13 1 1
18 4023 1 1 3 ILE HG21 H -10.390 -3.540 4.224 1.00 . A A . 3 ILE HG21 1 1
18 4024 1 1 3 ILE HG22 H -11.233 -2.803 5.606 1.00 . A A . 3 ILE HG22 1 1
18 4025 1 1 3 ILE HG23 H -11.682 -2.350 3.952 1.00 . A A . 3 ILE HG23 1 1
18 4026 1 1 3 ILE N N -10.338 -0.441 2.367 1.00 . A A . 3 ILE N 1 1
18 4027 1 1 3 ILE O O -7.138 -2.040 2.761 1.00 . A A . 3 ILE O 1 1
18 4028 1 1 4 GLN C C -7.105 -3.238 -0.156 1.00 . A A . 4 GLN C 1 1
18 4029 1 1 4 GLN CA C -8.078 -3.901 0.866 1.00 . A A . 4 GLN CA 1 1
18 4030 1 1 4 GLN CB C -9.035 -4.914 0.182 1.00 . A A . 4 GLN CB 1 1
18 4031 1 1 4 GLN CD C -9.551 -7.449 0.286 1.00 . A A . 4 GLN CD 1 1
18 4032 1 1 4 GLN CG C -8.481 -6.359 0.064 1.00 . A A . 4 GLN CG 1 1
18 4033 1 1 4 GLN H H -9.900 -2.853 1.545 1.00 . A A . 4 GLN H 1 1
18 4034 1 1 4 GLN HA H -7.454 -4.456 1.595 1.00 . A A . 4 GLN HA 1 1
18 4035 1 1 4 GLN HB2 H -9.998 -4.957 0.735 1.00 . A A . 4 GLN HB2 1 1
18 4036 1 1 4 GLN HB3 H -9.345 -4.557 -0.821 1.00 . A A . 4 GLN HB3 1 1
18 4037 1 1 4 GLN HE21 H -9.358 -8.117 -1.602 1.00 . A A . 4 GLN HE21 1 1
18 4038 1 1 4 GLN HE22 H -10.569 -8.970 -0.517 1.00 . A A . 4 GLN HE22 1 1
18 4039 1 1 4 GLN HG2 H -7.955 -6.485 -0.902 1.00 . A A . 4 GLN HG2 1 1
18 4040 1 1 4 GLN HG3 H -7.697 -6.540 0.826 1.00 . A A . 4 GLN HG3 1 1
18 4041 1 1 4 GLN N N -8.889 -2.953 1.677 1.00 . A A . 4 GLN N 1 1
18 4042 1 1 4 GLN NE2 N -9.867 -8.249 -0.719 1.00 . A A . 4 GLN NE2 1 1
18 4043 1 1 4 GLN O O -5.969 -3.699 -0.276 1.00 . A A . 4 GLN O 1 1
18 4044 1 1 4 GLN OE1 O -10.099 -7.585 1.380 1.00 . A A . 4 GLN OE1 1 1
18 4045 1 1 5 . C C -5.545 -0.597 -1.016 1.00 . A A . 5 DIV C 1 1
18 4046 1 1 5 . CA C -6.749 -1.308 -1.763 1.00 . A A . 5 DIV CA 1 1
18 4047 1 1 5 . CB1 C -6.270 -2.165 -2.978 1.00 . A A . 5 DIV CB1 1 1
18 4048 1 1 5 . CB2 C -7.720 -0.193 -2.268 1.00 . A A . 5 DIV CB2 1 1
18 4049 1 1 5 . CG1 C -7.278 -2.671 -4.030 1.00 . A A . 5 DIV CG1 1 1
18 4050 1 1 5 . H2 H -8.457 -1.823 -0.539 1.00 . A A . 5 DIV H2 1 1
18 4051 1 1 5 . HB11 H -5.522 -1.555 -3.469 1.00 . A A . 5 DIV HB11 1 1
18 4052 1 1 5 . HB12 H -5.691 -3.038 -2.635 1.00 . A A . 5 DIV HB12 1 1
18 4053 1 1 5 . HB21 H -8.117 0.430 -1.446 1.00 . A A . 5 DIV HB21 1 1
18 4054 1 1 5 . HB22 H -7.226 0.501 -2.971 1.00 . A A . 5 DIV HB22 1 1
18 4055 1 1 5 . HB23 H -8.608 -0.594 -2.790 1.00 . A A . 5 DIV HB23 1 1
18 4056 1 1 5 . HG11 H -7.776 -1.837 -4.558 1.00 . A A . 5 DIV HG11 1 1
18 4057 1 1 5 . HG12 H -6.769 -3.273 -4.806 1.00 . A A . 5 DIV HG12 1 1
18 4058 1 1 5 . HG13 H -8.061 -3.303 -3.573 1.00 . A A . 5 DIV HG13 1 1
18 4059 1 1 5 . N N -7.553 -2.165 -0.852 1.00 . A A . 5 DIV N 1 1
18 4060 1 1 5 . O O -4.382 -0.743 -1.410 1.00 . A A . 5 DIV O 1 1
18 4061 1 1 6 ILE C C -3.855 -0.304 1.691 1.00 . A A . 6 ILE C 1 1
18 4062 1 1 6 ILE CA C -4.758 0.761 0.956 1.00 . A A . 6 ILE CA 1 1
18 4063 1 1 6 ILE CB C -5.424 1.833 1.899 1.00 . A A . 6 ILE CB 1 1
18 4064 1 1 6 ILE CD1 C -7.285 3.658 1.913 1.00 . A A . 6 ILE CD1 1 1
18 4065 1 1 6 ILE CG1 C -6.129 3.004 1.134 1.00 . A A . 6 ILE CG1 1 1
18 4066 1 1 6 ILE CG2 C -4.451 2.474 2.926 1.00 . A A . 6 ILE CG2 1 1
18 4067 1 1 6 ILE H H -6.809 0.209 0.326 1.00 . A A . 6 ILE H 1 1
18 4068 1 1 6 ILE HA H -4.072 1.311 0.283 1.00 . A A . 6 ILE HA 1 1
18 4069 1 1 6 ILE HB H -6.192 1.296 2.490 1.00 . A A . 6 ILE HB 1 1
18 4070 1 1 6 ILE HD11 H -6.955 4.071 2.882 1.00 . A A . 6 ILE HD11 1 1
18 4071 1 1 6 ILE HD12 H -7.733 4.489 1.341 1.00 . A A . 6 ILE HD12 1 1
18 4072 1 1 6 ILE HD13 H -8.089 2.931 2.122 1.00 . A A . 6 ILE HD13 1 1
18 4073 1 1 6 ILE HG12 H -5.392 3.777 0.842 1.00 . A A . 6 ILE HG12 1 1
18 4074 1 1 6 ILE HG13 H -6.544 2.659 0.170 1.00 . A A . 6 ILE HG13 1 1
18 4075 1 1 6 ILE HG21 H -3.596 2.965 2.426 1.00 . A A . 6 ILE HG21 1 1
18 4076 1 1 6 ILE HG22 H -4.947 3.240 3.550 1.00 . A A . 6 ILE HG22 1 1
18 4077 1 1 6 ILE HG23 H -4.042 1.729 3.633 1.00 . A A . 6 ILE HG23 1 1
18 4078 1 1 6 ILE N N -5.813 0.148 0.085 1.00 . A A . 6 ILE N 1 1
18 4079 1 1 6 ILE O O -2.703 0.015 1.997 1.00 . A A . 6 ILE O 1 1
18 4080 1 1 7 THR C C -2.553 -3.276 1.347 1.00 . A A . 7 THR C 1 1
18 4081 1 1 7 THR CA C -3.511 -2.687 2.421 1.00 . A A . 7 THR CA 1 1
18 4082 1 1 7 THR CB C -4.400 -3.747 3.136 1.00 . A A . 7 THR CB 1 1
18 4083 1 1 7 THR CG2 C -3.659 -4.979 3.688 1.00 . A A . 7 THR CG2 1 1
18 4084 1 1 7 THR H H -5.295 -1.695 1.593 1.00 . A A . 7 THR H 1 1
18 4085 1 1 7 THR HA H -2.846 -2.286 3.198 1.00 . A A . 7 THR HA 1 1
18 4086 1 1 7 THR HB H -5.169 -4.107 2.430 1.00 . A A . 7 THR HB 1 1
18 4087 1 1 7 THR HG1 H -5.503 -2.368 3.903 1.00 . A A . 7 THR HG1 1 1
18 4088 1 1 7 THR HG21 H -4.343 -5.625 4.268 1.00 . A A . 7 THR HG21 1 1
18 4089 1 1 7 THR HG22 H -3.241 -5.601 2.874 1.00 . A A . 7 THR HG22 1 1
18 4090 1 1 7 THR HG23 H -2.821 -4.701 4.354 1.00 . A A . 7 THR HG23 1 1
18 4091 1 1 7 THR N N -4.337 -1.547 1.935 1.00 . A A . 7 THR N 1 1
18 4092 1 1 7 THR O O -1.392 -3.483 1.691 1.00 . A A . 7 THR O 1 1
18 4093 1 1 7 THR OG1 O -5.057 -3.143 4.249 1.00 . A A . 7 THR OG1 1 1
18 4094 1 1 8 ABA C C -0.888 -2.811 -1.287 1.00 . A A . 8 AIB C 1 1
18 4095 1 1 8 ABA CA C -2.043 -3.868 -1.053 1.00 . A A . 8 AIB CA 1 1
18 4096 1 1 8 ABA N N -2.975 -3.528 0.087 1.00 . A A . 8 AIB N 1 1
18 4097 1 1 8 ABA O O 0.273 -3.154 -1.536 1.00 . A A . 8 AIB O 1 1
18 4098 1 1 9 LEU C C 0.544 -0.052 0.015 1.00 . A A . 9 LEU C 1 1
18 4099 1 1 9 LEU CA C -0.262 -0.379 -1.289 1.00 . A A . 9 LEU CA 1 1
18 4100 1 1 9 LEU CB C -1.056 0.839 -1.842 1.00 . A A . 9 LEU CB 1 1
18 4101 1 1 9 LEU CD1 C -2.687 1.561 -3.710 1.00 . A A . 9 LEU CD1 1 1
18 4102 1 1 9 LEU CD2 C -0.234 1.205 -4.248 1.00 . A A . 9 LEU CD2 1 1
18 4103 1 1 9 LEU CG C -1.415 0.764 -3.360 1.00 . A A . 9 LEU CG 1 1
18 4104 1 1 9 LEU H H -2.206 -1.346 -0.939 1.00 . A A . 9 LEU H 1 1
18 4105 1 1 9 LEU HA H 0.504 -0.616 -2.050 1.00 . A A . 9 LEU HA 1 1
18 4106 1 1 9 LEU HB2 H -1.971 0.973 -1.234 1.00 . A A . 9 LEU HB2 1 1
18 4107 1 1 9 LEU HB3 H -0.482 1.763 -1.657 1.00 . A A . 9 LEU HB3 1 1
18 4108 1 1 9 LEU HD11 H -2.595 2.632 -3.452 1.00 . A A . 9 LEU HD11 1 1
18 4109 1 1 9 LEU HD12 H -2.924 1.501 -4.789 1.00 . A A . 9 LEU HD12 1 1
18 4110 1 1 9 LEU HD13 H -3.574 1.169 -3.177 1.00 . A A . 9 LEU HD13 1 1
18 4111 1 1 9 LEU HD21 H 0.678 0.611 -4.049 1.00 . A A . 9 LEU HD21 1 1
18 4112 1 1 9 LEU HD22 H -0.459 1.086 -5.326 1.00 . A A . 9 LEU HD22 1 1
18 4113 1 1 9 LEU HD23 H 0.027 2.268 -4.079 1.00 . A A . 9 LEU HD23 1 1
18 4114 1 1 9 LEU HG H -1.647 -0.284 -3.620 1.00 . A A . 9 LEU HG 1 1
18 4115 1 1 9 LEU N N -1.225 -1.510 -1.193 1.00 . A A . 9 LEU N 1 1
18 4116 1 1 9 LEU O O 1.536 0.675 -0.095 1.00 . A A . 9 LEU O 1 1
18 4117 1 1 10 ABA C C 2.415 -1.051 2.383 1.00 . A A . 10 AIB C 1 1
18 4118 1 1 10 ABA CA C 0.947 -0.447 2.494 1.00 . A A . 10 AIB CA 1 1
18 4119 1 1 10 ABA N N 0.173 -0.579 1.215 1.00 . A A . 10 AIB N 1 1
18 4120 1 1 10 ABA O O 3.353 -0.293 2.644 1.00 . A A . 10 AIB O 1 1
18 4121 1 1 11 HYP C C 4.730 -2.096 0.272 1.00 . A A . 11 HYP C 1 1
18 4122 1 1 11 HYP CA C 4.094 -2.750 1.549 1.00 . A A . 11 HYP CA 1 1
18 4123 1 1 11 HYP CB C 3.950 -4.280 1.407 1.00 . A A . 11 HYP CB 1 1
18 4124 1 1 11 HYP CD C 1.745 -3.410 1.775 1.00 . A A . 11 HYP CD 1 1
18 4125 1 1 11 HYP CG C 2.493 -4.506 1.015 1.00 . A A . 11 HYP CG 1 1
18 4126 1 1 11 HYP HA H 4.784 -2.557 2.393 1.00 . A A . 11 HYP HA 1 1
18 4127 1 1 11 HYP HB2 H 4.651 -4.725 0.677 1.00 . A A . 11 HYP HB2 1 1
18 4128 1 1 11 HYP HB3 H 4.160 -4.775 2.373 1.00 . A A . 11 HYP HB3 1 1
18 4129 1 1 11 HYP HD1 H 1.359 -5.651 2.068 1.00 . A A . 11 HYP HD1 1 1
18 4130 1 1 11 HYP HD22 H 0.872 -3.095 1.189 1.00 . A A . 11 HYP HD22 1 1
18 4131 1 1 11 HYP HD23 H 1.409 -3.775 2.766 1.00 . A A . 11 HYP HD23 1 1
18 4132 1 1 11 HYP HG H 2.371 -4.366 -0.078 1.00 . A A . 11 HYP HG 1 1
18 4133 1 1 11 HYP N N 2.721 -2.322 1.948 1.00 . A A . 11 HYP N 1 1
18 4134 1 1 11 HYP O O 5.932 -2.293 0.067 1.00 . A A . 11 HYP O 1 1
18 4135 1 1 11 HYP OD1 O 2.029 -5.794 1.396 1.00 . A A . 11 HYP OD1 1 1
18 4136 1 1 12 GLN C C 4.880 1.067 -1.134 1.00 . A A . 12 GLN C 1 1
18 4137 1 1 12 GLN CA C 4.582 -0.404 -1.566 1.00 . A A . 12 GLN CA 1 1
18 4138 1 1 12 GLN CB C 3.688 -0.420 -2.837 1.00 . A A . 12 GLN CB 1 1
18 4139 1 1 12 GLN CD C 2.687 -1.756 -4.797 1.00 . A A . 12 GLN CD 1 1
18 4140 1 1 12 GLN CG C 3.362 -1.812 -3.415 1.00 . A A . 12 GLN CG 1 1
18 4141 1 1 12 GLN H H 3.045 -1.077 -0.195 1.00 . A A . 12 GLN H 1 1
18 4142 1 1 12 GLN HA H 5.573 -0.804 -1.830 1.00 . A A . 12 GLN HA 1 1
18 4143 1 1 12 GLN HB2 H 2.739 0.116 -2.641 1.00 . A A . 12 GLN HB2 1 1
18 4144 1 1 12 GLN HB3 H 4.194 0.177 -3.613 1.00 . A A . 12 GLN HB3 1 1
18 4145 1 1 12 GLN HE21 H 1.085 -2.733 -4.102 1.00 . A A . 12 GLN HE21 1 1
18 4146 1 1 12 GLN HE22 H 1.084 -2.233 -5.875 1.00 . A A . 12 GLN HE22 1 1
18 4147 1 1 12 GLN HG2 H 4.292 -2.407 -3.480 1.00 . A A . 12 GLN HG2 1 1
18 4148 1 1 12 GLN HG3 H 2.724 -2.338 -2.671 1.00 . A A . 12 GLN HG3 1 1
18 4149 1 1 12 GLN N N 3.992 -1.281 -0.515 1.00 . A A . 12 GLN N 1 1
18 4150 1 1 12 GLN NE2 N 1.490 -2.286 -4.932 1.00 . A A . 12 GLN NE2 1 1
18 4151 1 1 12 GLN O O 5.206 1.867 -2.011 1.00 . A A . 12 GLN O 1 1
18 4152 1 1 12 GLN OE1 O 3.235 -1.224 -5.765 1.00 . A A . 12 GLN OE1 1 1
18 4153 1 1 13 ABA C C 7.132 1.930 1.076 1.00 . A A . 13 AIB C 1 1
18 4154 1 1 13 ABA CA C 5.649 2.486 0.825 1.00 . A A . 13 AIB CA 1 1
18 4155 1 1 13 ABA N N 4.835 1.407 0.175 1.00 . A A . 13 AIB N 1 1
18 4156 1 1 13 ABA O O 8.072 2.460 0.459 1.00 . A A . 13 AIB O 1 1
18 4157 1 1 14 HYP C C 9.547 -0.288 0.852 1.00 . A A . 14 HYP C 1 1
18 4158 1 1 14 HYP CA C 8.823 0.346 2.076 1.00 . A A . 14 HYP CA 1 1
18 4159 1 1 14 HYP CB C 8.712 -0.648 3.249 1.00 . A A . 14 HYP CB 1 1
18 4160 1 1 14 HYP CD C 6.459 0.059 2.624 1.00 . A A . 14 HYP CD 1 1
18 4161 1 1 14 HYP CG C 7.229 -0.972 3.448 1.00 . A A . 14 HYP CG 1 1
18 4162 1 1 14 HYP HA H 9.445 1.192 2.429 1.00 . A A . 14 HYP HA 1 1
18 4163 1 1 14 HYP HB2 H 9.280 -1.583 3.072 1.00 . A A . 14 HYP HB2 1 1
18 4164 1 1 14 HYP HB3 H 9.141 -0.199 4.165 1.00 . A A . 14 HYP HB3 1 1
18 4165 1 1 14 HYP HD1 H 7.102 0.004 5.097 1.00 . A A . 14 HYP HD1 1 1
18 4166 1 1 14 HYP HD22 H 5.788 -0.446 1.923 1.00 . A A . 14 HYP HD22 1 1
18 4167 1 1 14 HYP HD23 H 5.834 0.679 3.267 1.00 . A A . 14 HYP HD23 1 1
18 4168 1 1 14 HYP HG H 7.004 -1.993 3.085 1.00 . A A . 14 HYP HG 1 1
18 4169 1 1 14 HYP N N 7.442 0.859 1.885 1.00 . A A . 14 HYP N 1 1
18 4170 1 1 14 HYP O O 10.758 -0.086 0.745 1.00 . A A . 14 HYP O 1 1
18 4171 1 1 14 HYP OD1 O 6.881 -0.890 4.826 1.00 . A A . 14 HYP OD1 1 1
18 4172 1 1 15 ABA C C 10.204 -0.662 -2.212 1.00 . A A . 15 AIB C 1 1
18 4173 1 1 15 ABA CA C 9.507 -1.705 -1.235 1.00 . A A . 15 AIB CA 1 1
18 4174 1 1 15 ABA N N 8.869 -1.061 -0.039 1.00 . A A . 15 AIB N 1 1
18 4175 1 1 15 ABA O O 11.387 -0.863 -2.519 1.00 . A A . 15 AIB O 1 1
18 4176 1 1 16 PRO C C 11.284 2.436 -2.277 1.00 . A A . 16 PRO C 1 1
18 4177 1 1 16 PRO CA C 10.386 1.616 -3.248 1.00 . A A . 16 PRO CA 1 1
18 4178 1 1 16 PRO CB C 9.314 2.466 -3.955 1.00 . A A . 16 PRO CB 1 1
18 4179 1 1 16 PRO CD C 8.184 0.828 -2.511 1.00 . A A . 16 PRO CD 1 1
18 4180 1 1 16 PRO CG C 8.001 2.171 -3.229 1.00 . A A . 16 PRO CG 1 1
18 4181 1 1 16 PRO HA H 11.072 1.213 -3.999 1.00 . A A . 16 PRO HA 1 1
18 4182 1 1 16 PRO HB2 H 9.543 3.548 -3.966 1.00 . A A . 16 PRO HB2 1 1
18 4183 1 1 16 PRO HB3 H 9.229 2.163 -5.016 1.00 . A A . 16 PRO HB3 1 1
18 4184 1 1 16 PRO HD2 H 7.921 0.942 -1.449 1.00 . A A . 16 PRO HD2 1 1
18 4185 1 1 16 PRO HD3 H 7.516 0.048 -2.898 1.00 . A A . 16 PRO HD3 1 1
18 4186 1 1 16 PRO HG2 H 7.799 2.968 -2.490 1.00 . A A . 16 PRO HG2 1 1
18 4187 1 1 16 PRO HG3 H 7.142 2.159 -3.924 1.00 . A A . 16 PRO HG3 1 1
18 4188 1 1 16 PRO N N 9.608 0.485 -2.676 1.00 . A A . 16 PRO N 1 1
18 4189 1 1 16 PRO O O 12.285 2.989 -2.743 1.00 . A A . 16 PRO O 1 1
18 4190 1 1 17 PHL C C 12.081 2.791 1.234 1.00 . A A . 17 PHL C 1 1
18 4191 1 1 17 PHL CA C 11.596 3.492 -0.051 1.00 . A A . 17 PHL CA 1 1
18 4192 1 1 17 PHL CB C 10.627 4.663 0.270 1.00 . A A . 17 PHL CB 1 1
18 4193 1 1 17 PHL CD1 C 11.164 6.249 -1.662 1.00 . A A . 17 PHL CD1 1 1
18 4194 1 1 17 PHL CD2 C 8.871 5.558 -1.357 1.00 . A A . 17 PHL CD2 1 1
18 4195 1 1 17 PHL CE1 C 10.796 6.959 -2.800 1.00 . A A . 17 PHL CE1 1 1
18 4196 1 1 17 PHL CE2 C 8.502 6.275 -2.495 1.00 . A A . 17 PHL CE2 1 1
18 4197 1 1 17 PHL CG C 10.204 5.538 -0.934 1.00 . A A . 17 PHL CG 1 1
18 4198 1 1 17 PHL CZ C 9.467 6.980 -3.212 1.00 . A A . 17 PHL CZ 1 1
18 4199 1 1 17 PHL H2 H 10.043 2.058 -0.758 1.00 . A A . 17 PHL H2 1 1
18 4200 1 1 17 PHL HA H 12.500 3.937 -0.510 1.00 . A A . 17 PHL HA 1 1
18 4201 1 1 17 PHL HB2 H 9.741 4.232 0.773 1.00 . A A . 17 PHL HB2 1 1
18 4202 1 1 17 PHL HB3 H 11.099 5.319 1.025 1.00 . A A . 17 PHL HB3 1 1
18 4203 1 1 17 PHL HC1 H 11.233 2.424 1.839 1.00 . A A . 17 PHL HC1 1 1
18 4204 1 1 17 PHL HC2 H 12.617 3.517 1.875 1.00 . A A . 17 PHL HC2 1 1
18 4205 1 1 17 PHL HD1 H 12.208 6.206 -1.380 1.00 . A A . 17 PHL HD1 1 1
18 4206 1 1 17 PHL HD2 H 8.126 4.985 -0.831 1.00 . A A . 17 PHL HD2 1 1
18 4207 1 1 17 PHL HE1 H 11.552 7.481 -3.370 1.00 . A A . 17 PHL HE1 1 1
18 4208 1 1 17 PHL HE2 H 7.473 6.275 -2.820 1.00 . A A . 17 PHL HE2 1 1
18 4209 1 1 17 PHL HO H 13.584 1.665 1.673 1.00 . A A . 17 PHL HO 1 1
18 4210 1 1 17 PHL HZ H 9.184 7.531 -4.098 1.00 . A A . 17 PHL HZ 1 1
18 4211 1 1 17 PHL N N 10.928 2.543 -0.982 1.00 . A A . 17 PHL N 1 1
18 4212 1 1 17 PHL O O 12.966 1.714 0.940 1.00 . A A . 17 PHL O 1 1
19 4213 1 1 1 ACE C C -11.426 -1.852 -1.323 1.00 . A A . 1 ACE C 1 1
19 4214 1 1 1 ACE CH3 C -12.280 -3.106 -1.510 1.00 . A A . 1 ACE CH3 1 1
19 4215 1 1 1 ACE H1 H -13.323 -2.858 -1.785 1.00 . A A . 1 ACE H1 1 1
19 4216 1 1 1 ACE H2 H -11.873 -3.748 -2.311 1.00 . A A . 1 ACE H2 1 1
19 4217 1 1 1 ACE H3 H -12.305 -3.714 -0.586 1.00 . A A . 1 ACE H3 1 1
19 4218 1 1 1 ACE O O -10.334 -1.759 -1.881 1.00 . A A . 1 ACE O 1 1
19 4219 1 1 2 TRP C C -10.130 0.133 0.966 1.00 . A A . 2 TRP C 1 1
19 4220 1 1 2 TRP CA C -11.223 0.336 -0.117 1.00 . A A . 2 TRP CA 1 1
19 4221 1 1 2 TRP CB C -12.180 1.510 0.271 1.00 . A A . 2 TRP CB 1 1
19 4222 1 1 2 TRP CD1 C -13.814 0.774 2.210 1.00 . A A . 2 TRP CD1 1 1
19 4223 1 1 2 TRP CD2 C -14.778 1.177 0.248 1.00 . A A . 2 TRP CD2 1 1
19 4224 1 1 2 TRP CE2 C -15.748 0.713 1.169 1.00 . A A . 2 TRP CE2 1 1
19 4225 1 1 2 TRP CE3 C -15.148 1.483 -1.090 1.00 . A A . 2 TRP CE3 1 1
19 4226 1 1 2 TRP CG C -13.555 1.201 0.892 1.00 . A A . 2 TRP CG 1 1
19 4227 1 1 2 TRP CH2 C -17.438 0.850 -0.558 1.00 . A A . 2 TRP CH2 1 1
19 4228 1 1 2 TRP CZ2 C -17.093 0.539 0.758 1.00 . A A . 2 TRP CZ2 1 1
19 4229 1 1 2 TRP CZ3 C -16.479 1.318 -1.468 1.00 . A A . 2 TRP CZ3 1 1
19 4230 1 1 2 TRP H H -12.847 -1.168 -0.104 1.00 . A A . 2 TRP H 1 1
19 4231 1 1 2 TRP HA H -10.680 0.699 -1.014 1.00 . A A . 2 TRP HA 1 1
19 4232 1 1 2 TRP HB2 H -11.662 2.253 0.905 1.00 . A A . 2 TRP HB2 1 1
19 4233 1 1 2 TRP HB3 H -12.356 2.066 -0.655 1.00 . A A . 2 TRP HB3 1 1
19 4234 1 1 2 TRP HD1 H -13.060 0.652 2.970 1.00 . A A . 2 TRP HD1 1 1
19 4235 1 1 2 TRP HE1 H -15.605 0.047 3.228 1.00 . A A . 2 TRP HE1 1 1
19 4236 1 1 2 TRP HE3 H -14.422 1.843 -1.806 1.00 . A A . 2 TRP HE3 1 1
19 4237 1 1 2 TRP HH2 H -18.460 0.726 -0.884 1.00 . A A . 2 TRP HH2 1 1
19 4238 1 1 2 TRP HZ2 H -17.836 0.165 1.448 1.00 . A A . 2 TRP HZ2 1 1
19 4239 1 1 2 TRP HZ3 H -16.776 1.555 -2.479 1.00 . A A . 2 TRP HZ3 1 1
19 4240 1 1 2 TRP N N -11.941 -0.920 -0.512 1.00 . A A . 2 TRP N 1 1
19 4241 1 1 2 TRP NE1 N -15.169 0.455 2.399 1.00 . A A . 2 TRP NE1 1 1
19 4242 1 1 2 TRP O O -8.984 0.542 0.769 1.00 . A A . 2 TRP O 1 1
19 4243 1 1 3 ILE C C -8.489 -2.039 2.573 1.00 . A A . 3 ILE C 1 1
19 4244 1 1 3 ILE CA C -9.484 -0.955 3.119 1.00 . A A . 3 ILE CA 1 1
19 4245 1 1 3 ILE CB C -10.188 -1.352 4.473 1.00 . A A . 3 ILE CB 1 1
19 4246 1 1 3 ILE CD1 C -12.419 -0.819 5.686 1.00 . A A . 3 ILE CD1 1 1
19 4247 1 1 3 ILE CG1 C -11.116 -0.253 5.094 1.00 . A A . 3 ILE CG1 1 1
19 4248 1 1 3 ILE CG2 C -9.203 -1.806 5.581 1.00 . A A . 3 ILE CG2 1 1
19 4249 1 1 3 ILE H H -11.494 -0.634 2.161 1.00 . A A . 3 ILE H 1 1
19 4250 1 1 3 ILE HA H -8.836 -0.079 3.305 1.00 . A A . 3 ILE HA 1 1
19 4251 1 1 3 ILE HB H -10.810 -2.236 4.233 1.00 . A A . 3 ILE HB 1 1
19 4252 1 1 3 ILE HD11 H -12.222 -1.553 6.489 1.00 . A A . 3 ILE HD11 1 1
19 4253 1 1 3 ILE HD12 H -13.048 -0.020 6.117 1.00 . A A . 3 ILE HD12 1 1
19 4254 1 1 3 ILE HD13 H -13.025 -1.329 4.913 1.00 . A A . 3 ILE HD13 1 1
19 4255 1 1 3 ILE HG12 H -10.588 0.333 5.872 1.00 . A A . 3 ILE HG12 1 1
19 4256 1 1 3 ILE HG13 H -11.389 0.513 4.348 1.00 . A A . 3 ILE HG13 1 1
19 4257 1 1 3 ILE HG21 H -8.481 -1.006 5.833 1.00 . A A . 3 ILE HG21 1 1
19 4258 1 1 3 ILE HG22 H -9.728 -2.079 6.512 1.00 . A A . 3 ILE HG22 1 1
19 4259 1 1 3 ILE HG23 H -8.620 -2.695 5.281 1.00 . A A . 3 ILE HG23 1 1
19 4260 1 1 3 ILE N N -10.478 -0.509 2.092 1.00 . A A . 3 ILE N 1 1
19 4261 1 1 3 ILE O O -7.294 -1.926 2.850 1.00 . A A . 3 ILE O 1 1
19 4262 1 1 4 GLN C C -7.081 -3.208 -0.006 1.00 . A A . 4 GLN C 1 1
19 4263 1 1 4 GLN CA C -8.064 -3.915 0.979 1.00 . A A . 4 GLN CA 1 1
19 4264 1 1 4 GLN CB C -8.914 -4.979 0.238 1.00 . A A . 4 GLN CB 1 1
19 4265 1 1 4 GLN CD C -10.452 -7.054 0.444 1.00 . A A . 4 GLN CD 1 1
19 4266 1 1 4 GLN CG C -9.543 -6.049 1.170 1.00 . A A . 4 GLN CG 1 1
19 4267 1 1 4 GLN H H -9.955 -2.952 1.572 1.00 . A A . 4 GLN H 1 1
19 4268 1 1 4 GLN HA H -7.423 -4.456 1.703 1.00 . A A . 4 GLN HA 1 1
19 4269 1 1 4 GLN HB2 H -9.698 -4.487 -0.369 1.00 . A A . 4 GLN HB2 1 1
19 4270 1 1 4 GLN HB3 H -8.278 -5.515 -0.493 1.00 . A A . 4 GLN HB3 1 1
19 4271 1 1 4 GLN HE21 H -9.185 -8.560 0.842 1.00 . A A . 4 GLN HE21 1 1
19 4272 1 1 4 GLN HE22 H -10.743 -8.978 -0.034 1.00 . A A . 4 GLN HE22 1 1
19 4273 1 1 4 GLN HG2 H -8.736 -6.570 1.726 1.00 . A A . 4 GLN HG2 1 1
19 4274 1 1 4 GLN HG3 H -10.151 -5.558 1.954 1.00 . A A . 4 GLN HG3 1 1
19 4275 1 1 4 GLN N N -8.952 -3.020 1.773 1.00 . A A . 4 GLN N 1 1
19 4276 1 1 4 GLN NE2 N -10.079 -8.324 0.396 1.00 . A A . 4 GLN NE2 1 1
19 4277 1 1 4 GLN O O -5.927 -3.632 -0.072 1.00 . A A . 4 GLN O 1 1
19 4278 1 1 4 GLN OE1 O -11.517 -6.700 -0.061 1.00 . A A . 4 GLN OE1 1 1
19 4279 1 1 5 . C C -5.449 -0.619 -0.786 1.00 . A A . 5 DIV C 1 1
19 4280 1 1 5 . CA C -6.634 -1.293 -1.601 1.00 . A A . 5 DIV CA 1 1
19 4281 1 1 5 . CB1 C -6.117 -2.177 -2.787 1.00 . A A . 5 DIV CB1 1 1
19 4282 1 1 5 . CB2 C -7.484 -0.131 -2.201 1.00 . A A . 5 DIV CB2 1 1
19 4283 1 1 5 . CG1 C -7.081 -2.692 -3.878 1.00 . A A . 5 DIV CG1 1 1
19 4284 1 1 5 . H2 H -8.463 -1.860 -0.537 1.00 . A A . 5 DIV H2 1 1
19 4285 1 1 5 . HB11 H -5.349 -1.583 -3.269 1.00 . A A . 5 DIV HB11 1 1
19 4286 1 1 5 . HB12 H -5.565 -3.054 -2.407 1.00 . A A . 5 DIV HB12 1 1
19 4287 1 1 5 . HB21 H -7.918 0.527 -1.429 1.00 . A A . 5 DIV HB21 1 1
19 4288 1 1 5 . HB22 H -6.878 0.520 -2.863 1.00 . A A . 5 DIV HB22 1 1
19 4289 1 1 5 . HB23 H -8.335 -0.488 -2.808 1.00 . A A . 5 DIV HB23 1 1
19 4290 1 1 5 . HG11 H -7.549 -1.866 -4.443 1.00 . A A . 5 DIV HG11 1 1
19 4291 1 1 5 . HG12 H -6.539 -3.311 -4.615 1.00 . A A . 5 DIV HG12 1 1
19 4292 1 1 5 . HG13 H -7.892 -3.313 -3.456 1.00 . A A . 5 DIV HG13 1 1
19 4293 1 1 5 . N N -7.506 -2.144 -0.734 1.00 . A A . 5 DIV N 1 1
19 4294 1 1 5 . O O -4.275 -0.762 -1.148 1.00 . A A . 5 DIV O 1 1
19 4295 1 1 6 ILE C C -3.812 -0.472 1.962 1.00 . A A . 6 ILE C 1 1
19 4296 1 1 6 ILE CA C -4.707 0.629 1.277 1.00 . A A . 6 ILE CA 1 1
19 4297 1 1 6 ILE CB C -5.376 1.633 2.300 1.00 . A A . 6 ILE CB 1 1
19 4298 1 1 6 ILE CD1 C -5.335 3.795 0.777 1.00 . A A . 6 ILE CD1 1 1
19 4299 1 1 6 ILE CG1 C -6.151 2.823 1.651 1.00 . A A . 6 ILE CG1 1 1
19 4300 1 1 6 ILE CG2 C -4.425 2.205 3.387 1.00 . A A . 6 ILE CG2 1 1
19 4301 1 1 6 ILE H H -6.742 0.114 0.573 1.00 . A A . 6 ILE H 1 1
19 4302 1 1 6 ILE HA H -4.008 1.229 0.661 1.00 . A A . 6 ILE HA 1 1
19 4303 1 1 6 ILE HB H -6.132 1.050 2.861 1.00 . A A . 6 ILE HB 1 1
19 4304 1 1 6 ILE HD11 H -4.862 3.282 -0.080 1.00 . A A . 6 ILE HD11 1 1
19 4305 1 1 6 ILE HD12 H -5.977 4.593 0.364 1.00 . A A . 6 ILE HD12 1 1
19 4306 1 1 6 ILE HD13 H -4.533 4.293 1.352 1.00 . A A . 6 ILE HD13 1 1
19 4307 1 1 6 ILE HG12 H -6.987 2.432 1.044 1.00 . A A . 6 ILE HG12 1 1
19 4308 1 1 6 ILE HG13 H -6.652 3.411 2.444 1.00 . A A . 6 ILE HG13 1 1
19 4309 1 1 6 ILE HG21 H -3.551 2.723 2.949 1.00 . A A . 6 ILE HG21 1 1
19 4310 1 1 6 ILE HG22 H -4.940 2.933 4.046 1.00 . A A . 6 ILE HG22 1 1
19 4311 1 1 6 ILE HG23 H -4.038 1.413 4.053 1.00 . A A . 6 ILE HG23 1 1
19 4312 1 1 6 ILE N N -5.744 0.084 0.340 1.00 . A A . 6 ILE N 1 1
19 4313 1 1 6 ILE O O -2.661 -0.173 2.292 1.00 . A A . 6 ILE O 1 1
19 4314 1 1 7 THR C C -2.488 -3.418 1.581 1.00 . A A . 7 THR C 1 1
19 4315 1 1 7 THR CA C -3.495 -2.869 2.634 1.00 . A A . 7 THR CA 1 1
19 4316 1 1 7 THR CB C -4.433 -3.950 3.250 1.00 . A A . 7 THR CB 1 1
19 4317 1 1 7 THR CG2 C -3.722 -5.163 3.878 1.00 . A A . 7 THR CG2 1 1
19 4318 1 1 7 THR H H -5.256 -1.847 1.802 1.00 . A A . 7 THR H 1 1
19 4319 1 1 7 THR HA H -2.879 -2.493 3.465 1.00 . A A . 7 THR HA 1 1
19 4320 1 1 7 THR HB H -5.116 -4.323 2.463 1.00 . A A . 7 THR HB 1 1
19 4321 1 1 7 THR HG1 H -5.109 -2.418 4.191 1.00 . A A . 7 THR HG1 1 1
19 4322 1 1 7 THR HG21 H -4.449 -5.834 4.373 1.00 . A A . 7 THR HG21 1 1
19 4323 1 1 7 THR HG22 H -3.189 -5.767 3.122 1.00 . A A . 7 THR HG22 1 1
19 4324 1 1 7 THR HG23 H -2.984 -4.856 4.642 1.00 . A A . 7 THR HG23 1 1
19 4325 1 1 7 THR N N -4.302 -1.716 2.149 1.00 . A A . 7 THR N 1 1
19 4326 1 1 7 THR O O -1.328 -3.589 1.950 1.00 . A A . 7 THR O 1 1
19 4327 1 1 7 THR OG1 O -5.217 -3.368 4.289 1.00 . A A . 7 THR OG1 1 1
19 4328 1 1 8 ABA C C -0.819 -2.812 -1.035 1.00 . A A . 8 AIB C 1 1
19 4329 1 1 8 ABA CA C -1.920 -3.934 -0.825 1.00 . A A . 8 AIB CA 1 1
19 4330 1 1 8 ABA N N -2.882 -3.663 0.307 1.00 . A A . 8 AIB N 1 1
19 4331 1 1 8 ABA O O 0.352 -3.097 -1.311 1.00 . A A . 8 AIB O 1 1
19 4332 1 1 9 LEU C C 0.562 -0.110 0.335 1.00 . A A . 9 LEU C 1 1
19 4333 1 1 9 LEU CA C -0.317 -0.357 -0.938 1.00 . A A . 9 LEU CA 1 1
19 4334 1 1 9 LEU CB C -1.188 0.876 -1.315 1.00 . A A . 9 LEU CB 1 1
19 4335 1 1 9 LEU CD1 C -2.885 1.884 -2.975 1.00 . A A . 9 LEU CD1 1 1
19 4336 1 1 9 LEU CD2 C -0.549 1.332 -3.761 1.00 . A A . 9 LEU CD2 1 1
19 4337 1 1 9 LEU CG C -1.683 0.934 -2.793 1.00 . A A . 9 LEU CG 1 1
19 4338 1 1 9 LEU H H -2.201 -1.435 -0.601 1.00 . A A . 9 LEU H 1 1
19 4339 1 1 9 LEU HA H 0.399 -0.500 -1.766 1.00 . A A . 9 LEU HA 1 1
19 4340 1 1 9 LEU HB2 H -2.051 0.924 -0.624 1.00 . A A . 9 LEU HB2 1 1
19 4341 1 1 9 LEU HB3 H -0.623 1.802 -1.102 1.00 . A A . 9 LEU HB3 1 1
19 4342 1 1 9 LEU HD11 H -2.641 2.926 -2.693 1.00 . A A . 9 LEU HD11 1 1
19 4343 1 1 9 LEU HD12 H -3.235 1.900 -4.025 1.00 . A A . 9 LEU HD12 1 1
19 4344 1 1 9 LEU HD13 H -3.752 1.572 -2.362 1.00 . A A . 9 LEU HD13 1 1
19 4345 1 1 9 LEU HD21 H 0.313 0.644 -3.697 1.00 . A A . 9 LEU HD21 1 1
19 4346 1 1 9 LEU HD22 H -0.882 1.321 -4.817 1.00 . A A . 9 LEU HD22 1 1
19 4347 1 1 9 LEU HD23 H -0.164 2.347 -3.545 1.00 . A A . 9 LEU HD23 1 1
19 4348 1 1 9 LEU HG H -2.040 -0.068 -3.089 1.00 . A A . 9 LEU HG 1 1
19 4349 1 1 9 LEU N N -1.221 -1.536 -0.890 1.00 . A A . 9 LEU N 1 1
19 4350 1 1 9 LEU O O 1.541 0.631 0.213 1.00 . A A . 9 LEU O 1 1
19 4351 1 1 10 ABA C C 2.573 -1.223 2.519 1.00 . A A . 10 AIB C 1 1
19 4352 1 1 10 ABA CA C 1.106 -0.649 2.764 1.00 . A A . 10 AIB CA 1 1
19 4353 1 1 10 ABA N N 0.261 -0.711 1.522 1.00 . A A . 10 AIB N 1 1
19 4354 1 1 10 ABA O O 3.517 -0.463 2.752 1.00 . A A . 10 AIB O 1 1
19 4355 1 1 11 HYP C C 4.755 -2.103 0.201 1.00 . A A . 11 HYP C 1 1
19 4356 1 1 11 HYP CA C 4.209 -2.841 1.472 1.00 . A A . 11 HYP CA 1 1
19 4357 1 1 11 HYP CB C 4.087 -4.364 1.260 1.00 . A A . 11 HYP CB 1 1
19 4358 1 1 11 HYP CD C 1.902 -3.571 1.880 1.00 . A A . 11 HYP CD 1 1
19 4359 1 1 11 HYP CG C 2.601 -4.626 1.021 1.00 . A A . 11 HYP CG 1 1
19 4360 1 1 11 HYP HA H 4.950 -2.680 2.275 1.00 . A A . 11 HYP HA 1 1
19 4361 1 1 11 HYP HB2 H 4.713 -4.750 0.433 1.00 . A A . 11 HYP HB2 1 1
19 4362 1 1 11 HYP HB3 H 4.422 -4.898 2.168 1.00 . A A . 11 HYP HB3 1 1
19 4363 1 1 11 HYP HD1 H 1.261 -5.920 1.496 1.00 . A A . 11 HYP HD1 1 1
19 4364 1 1 11 HYP HD22 H 0.964 -3.268 1.398 1.00 . A A . 11 HYP HD22 1 1
19 4365 1 1 11 HYP HD23 H 1.678 -3.972 2.889 1.00 . A A . 11 HYP HD23 1 1
19 4366 1 1 11 HYP HG H 2.356 -4.476 -0.049 1.00 . A A . 11 HYP HG 1 1
19 4367 1 1 11 HYP N N 2.861 -2.462 1.990 1.00 . A A . 11 HYP N 1 1
19 4368 1 1 11 HYP O O 5.939 -2.289 -0.106 1.00 . A A . 11 HYP O 1 1
19 4369 1 1 11 HYP OD1 O 2.219 -5.933 1.427 1.00 . A A . 11 HYP OD1 1 1
19 4370 1 1 12 GLN C C 4.801 1.156 -0.996 1.00 . A A . 12 GLN C 1 1
19 4371 1 1 12 GLN CA C 4.499 -0.289 -1.504 1.00 . A A . 12 GLN CA 1 1
19 4372 1 1 12 GLN CB C 3.538 -0.243 -2.725 1.00 . A A . 12 GLN CB 1 1
19 4373 1 1 12 GLN CD C 2.441 -1.464 -4.702 1.00 . A A . 12 GLN CD 1 1
19 4374 1 1 12 GLN CG C 3.203 -1.602 -3.370 1.00 . A A . 12 GLN CG 1 1
19 4375 1 1 12 GLN H H 3.044 -1.058 -0.097 1.00 . A A . 12 GLN H 1 1
19 4376 1 1 12 GLN HA H 5.478 -0.659 -1.847 1.00 . A A . 12 GLN HA 1 1
19 4377 1 1 12 GLN HB2 H 2.596 0.268 -2.450 1.00 . A A . 12 GLN HB2 1 1
19 4378 1 1 12 GLN HB3 H 3.996 0.404 -3.491 1.00 . A A . 12 GLN HB3 1 1
19 4379 1 1 12 GLN HE21 H 0.885 -2.499 -3.967 1.00 . A A . 12 GLN HE21 1 1
19 4380 1 1 12 GLN HE22 H 0.791 -1.920 -5.715 1.00 . A A . 12 GLN HE22 1 1
19 4381 1 1 12 GLN HG2 H 4.138 -2.172 -3.529 1.00 . A A . 12 GLN HG2 1 1
19 4382 1 1 12 GLN HG3 H 2.623 -2.188 -2.622 1.00 . A A . 12 GLN HG3 1 1
19 4383 1 1 12 GLN N N 3.974 -1.233 -0.478 1.00 . A A . 12 GLN N 1 1
19 4384 1 1 12 GLN NE2 N 1.245 -2.014 -4.801 1.00 . A A . 12 GLN NE2 1 1
19 4385 1 1 12 GLN O O 5.033 2.026 -1.836 1.00 . A A . 12 GLN O 1 1
19 4386 1 1 12 GLN OE1 O 2.928 -0.873 -5.668 1.00 . A A . 12 GLN OE1 1 1
19 4387 1 1 13 ABA C C 7.215 1.883 1.107 1.00 . A A . 13 AIB C 1 1
19 4388 1 1 13 ABA CA C 5.718 2.447 0.995 1.00 . A A . 13 AIB CA 1 1
19 4389 1 1 13 ABA N N 4.865 1.407 0.335 1.00 . A A . 13 AIB N 1 1
19 4390 1 1 13 ABA O O 8.110 2.454 0.468 1.00 . A A . 13 AIB O 1 1
19 4391 1 1 14 HYP C C 9.602 -0.329 0.571 1.00 . A A . 14 HYP C 1 1
19 4392 1 1 14 HYP CA C 8.962 0.230 1.877 1.00 . A A . 14 HYP CA 1 1
19 4393 1 1 14 HYP CB C 8.928 -0.835 2.993 1.00 . A A . 14 HYP CB 1 1
19 4394 1 1 14 HYP CD C 6.647 -0.086 2.576 1.00 . A A . 14 HYP CD 1 1
19 4395 1 1 14 HYP CG C 7.463 -1.175 3.268 1.00 . A A . 14 HYP CG 1 1
19 4396 1 1 14 HYP HA H 9.614 1.052 2.235 1.00 . A A . 14 HYP HA 1 1
19 4397 1 1 14 HYP HB2 H 9.486 -1.750 2.720 1.00 . A A . 14 HYP HB2 1 1
19 4398 1 1 14 HYP HB3 H 9.415 -0.440 3.907 1.00 . A A . 14 HYP HB3 1 1
19 4399 1 1 14 HYP HD1 H 7.451 -0.322 4.987 1.00 . A A . 14 HYP HD1 1 1
19 4400 1 1 14 HYP HD22 H 5.909 -0.535 1.903 1.00 . A A . 14 HYP HD22 1 1
19 4401 1 1 14 HYP HD23 H 6.084 0.497 3.306 1.00 . A A . 14 HYP HD23 1 1
19 4402 1 1 14 HYP HG H 7.214 -2.165 2.844 1.00 . A A . 14 HYP HG 1 1
19 4403 1 1 14 HYP N N 7.575 0.757 1.815 1.00 . A A . 14 HYP N 1 1
19 4404 1 1 14 HYP O O 10.805 -0.115 0.405 1.00 . A A . 14 HYP O 1 1
19 4405 1 1 14 HYP OD1 O 7.203 -1.193 4.666 1.00 . A A . 14 HYP OD1 1 1
19 4406 1 1 15 ABA C C 10.024 -0.496 -2.555 1.00 . A A . 15 AIB C 1 1
19 4407 1 1 15 ABA CA C 9.413 -1.610 -1.597 1.00 . A A . 15 AIB CA 1 1
19 4408 1 1 15 ABA N N 8.864 -1.052 -0.317 1.00 . A A . 15 AIB N 1 1
19 4409 1 1 15 ABA O O 11.166 -0.680 -2.998 1.00 . A A . 15 AIB O 1 1
19 4410 1 1 16 PRO C C 11.111 2.609 -2.480 1.00 . A A . 16 PRO C 1 1
19 4411 1 1 16 PRO CA C 10.132 1.857 -3.421 1.00 . A A . 16 PRO CA 1 1
19 4412 1 1 16 PRO CB C 9.013 2.759 -3.972 1.00 . A A . 16 PRO CB 1 1
19 4413 1 1 16 PRO CD C 7.994 1.010 -2.577 1.00 . A A . 16 PRO CD 1 1
19 4414 1 1 16 PRO CG C 7.770 2.415 -3.154 1.00 . A A . 16 PRO CG 1 1
19 4415 1 1 16 PRO HA H 10.749 1.510 -4.252 1.00 . A A . 16 PRO HA 1 1
19 4416 1 1 16 PRO HB2 H 9.250 3.839 -3.921 1.00 . A A . 16 PRO HB2 1 1
19 4417 1 1 16 PRO HB3 H 8.834 2.535 -5.040 1.00 . A A . 16 PRO HB3 1 1
19 4418 1 1 16 PRO HD2 H 7.792 1.018 -1.496 1.00 . A A . 16 PRO HD2 1 1
19 4419 1 1 16 PRO HD3 H 7.310 0.259 -2.996 1.00 . A A . 16 PRO HD3 1 1
19 4420 1 1 16 PRO HG2 H 7.657 3.143 -2.331 1.00 . A A . 16 PRO HG2 1 1
19 4421 1 1 16 PRO HG3 H 6.852 2.483 -3.766 1.00 . A A . 16 PRO HG3 1 1
19 4422 1 1 16 PRO N N 9.401 0.690 -2.866 1.00 . A A . 16 PRO N 1 1
19 4423 1 1 16 PRO O O 12.056 3.216 -2.993 1.00 . A A . 16 PRO O 1 1
19 4424 1 1 17 PHL C C 12.202 2.695 0.953 1.00 . A A . 17 PHL C 1 1
19 4425 1 1 17 PHL CA C 11.620 3.504 -0.224 1.00 . A A . 17 PHL CA 1 1
19 4426 1 1 17 PHL CB C 10.684 4.646 0.247 1.00 . A A . 17 PHL CB 1 1
19 4427 1 1 17 PHL CD1 C 11.011 6.320 -1.664 1.00 . A A . 17 PHL CD1 1 1
19 4428 1 1 17 PHL CD2 C 8.762 5.662 -1.086 1.00 . A A . 17 PHL CD2 1 1
19 4429 1 1 17 PHL CE1 C 10.514 7.119 -2.691 1.00 . A A . 17 PHL CE1 1 1
19 4430 1 1 17 PHL CE2 C 8.265 6.464 -2.112 1.00 . A A . 17 PHL CE2 1 1
19 4431 1 1 17 PHL CG C 10.139 5.586 -0.854 1.00 . A A . 17 PHL CG 1 1
19 4432 1 1 17 PHL CZ C 9.139 7.195 -2.909 1.00 . A A . 17 PHL CZ 1 1
19 4433 1 1 17 PHL H2 H 10.013 2.120 -0.882 1.00 . A A . 17 PHL H2 1 1
19 4434 1 1 17 PHL HA H 12.488 3.970 -0.730 1.00 . A A . 17 PHL HA 1 1
19 4435 1 1 17 PHL HB2 H 9.849 4.187 0.812 1.00 . A A . 17 PHL HB2 1 1
19 4436 1 1 17 PHL HB3 H 11.225 5.268 0.984 1.00 . A A . 17 PHL HB3 1 1
19 4437 1 1 17 PHL HC1 H 12.749 1.805 0.586 1.00 . A A . 17 PHL HC1 1 1
19 4438 1 1 17 PHL HC2 H 11.401 2.319 1.617 1.00 . A A . 17 PHL HC2 1 1
19 4439 1 1 17 PHL HD1 H 12.081 6.242 -1.524 1.00 . A A . 17 PHL HD1 1 1
19 4440 1 1 17 PHL HD2 H 8.077 5.084 -0.488 1.00 . A A . 17 PHL HD2 1 1
19 4441 1 1 17 PHL HE1 H 11.193 7.670 -3.325 1.00 . A A . 17 PHL HE1 1 1
19 4442 1 1 17 PHL HE2 H 7.200 6.508 -2.291 1.00 . A A . 17 PHL HE2 1 1
19 4443 1 1 17 PHL HO H 13.770 3.799 1.090 1.00 . A A . 17 PHL HO 1 1
19 4444 1 1 17 PHL HZ H 8.754 7.820 -3.700 1.00 . A A . 17 PHL HZ 1 1
19 4445 1 1 17 PHL N N 10.881 2.609 -1.152 1.00 . A A . 17 PHL N 1 1
19 4446 1 1 17 PHL O O 13.102 3.494 1.711 1.00 . A A . 17 PHL O 1 1
20 4447 1 1 1 ACE C C -11.662 -1.913 -0.948 1.00 . A A . 1 ACE C 1 1
20 4448 1 1 1 ACE CH3 C -12.528 -3.168 -0.935 1.00 . A A . 1 ACE CH3 1 1
20 4449 1 1 1 ACE H1 H -13.601 -2.931 -1.065 1.00 . A A . 1 ACE H1 1 1
20 4450 1 1 1 ACE H2 H -12.241 -3.855 -1.751 1.00 . A A . 1 ACE H2 1 1
20 4451 1 1 1 ACE H3 H -12.410 -3.721 0.016 1.00 . A A . 1 ACE H3 1 1
20 4452 1 1 1 ACE O O -10.629 -1.873 -1.619 1.00 . A A . 1 ACE O 1 1
20 4453 1 1 2 TRP C C -10.183 0.239 1.080 1.00 . A A . 2 TRP C 1 1
20 4454 1 1 2 TRP CA C -11.327 0.358 0.018 1.00 . A A . 2 TRP CA 1 1
20 4455 1 1 2 TRP CB C -12.319 1.519 0.317 1.00 . A A . 2 TRP CB 1 1
20 4456 1 1 2 TRP CD1 C -12.136 3.413 -1.476 1.00 . A A . 2 TRP CD1 1 1
20 4457 1 1 2 TRP CD2 C -11.110 3.864 0.448 1.00 . A A . 2 TRP CD2 1 1
20 4458 1 1 2 TRP CE2 C -10.963 4.960 -0.443 1.00 . A A . 2 TRP CE2 1 1
20 4459 1 1 2 TRP CE3 C -10.550 3.920 1.750 1.00 . A A . 2 TRP CE3 1 1
20 4460 1 1 2 TRP CG C -11.851 2.888 -0.194 1.00 . A A . 2 TRP CG 1 1
20 4461 1 1 2 TRP CH2 C -9.720 6.157 1.252 1.00 . A A . 2 TRP CH2 1 1
20 4462 1 1 2 TRP CZ2 C -10.262 6.120 -0.033 1.00 . A A . 2 TRP CZ2 1 1
20 4463 1 1 2 TRP CZ3 C -9.860 5.072 2.130 1.00 . A A . 2 TRP CZ3 1 1
20 4464 1 1 2 TRP H H -12.962 -1.099 0.337 1.00 . A A . 2 TRP H 1 1
20 4465 1 1 2 TRP HA H -10.840 0.589 -0.952 1.00 . A A . 2 TRP HA 1 1
20 4466 1 1 2 TRP HB2 H -13.306 1.325 -0.147 1.00 . A A . 2 TRP HB2 1 1
20 4467 1 1 2 TRP HB3 H -12.544 1.566 1.399 1.00 . A A . 2 TRP HB3 1 1
20 4468 1 1 2 TRP HD1 H -12.705 2.895 -2.234 1.00 . A A . 2 TRP HD1 1 1
20 4469 1 1 2 TRP HE1 H -11.683 5.316 -2.463 1.00 . A A . 2 TRP HE1 1 1
20 4470 1 1 2 TRP HE3 H -10.657 3.096 2.442 1.00 . A A . 2 TRP HE3 1 1
20 4471 1 1 2 TRP HH2 H -9.192 7.039 1.579 1.00 . A A . 2 TRP HH2 1 1
20 4472 1 1 2 TRP HZ2 H -10.154 6.967 -0.696 1.00 . A A . 2 TRP HZ2 1 1
20 4473 1 1 2 TRP HZ3 H -9.435 5.137 3.120 1.00 . A A . 2 TRP HZ3 1 1
20 4474 1 1 2 TRP N N -12.096 -0.906 -0.178 1.00 . A A . 2 TRP N 1 1
20 4475 1 1 2 TRP NE1 N -11.597 4.699 -1.647 1.00 . A A . 2 TRP NE1 1 1
20 4476 1 1 2 TRP O O -9.072 0.722 0.835 1.00 . A A . 2 TRP O 1 1
20 4477 1 1 3 ILE C C -8.426 -2.031 2.413 1.00 . A A . 3 ILE C 1 1
20 4478 1 1 3 ILE CA C -9.356 -0.984 3.104 1.00 . A A . 3 ILE CA 1 1
20 4479 1 1 3 ILE CB C -9.923 -1.461 4.496 1.00 . A A . 3 ILE CB 1 1
20 4480 1 1 3 ILE CD1 C -8.434 -0.523 6.428 1.00 . A A . 3 ILE CD1 1 1
20 4481 1 1 3 ILE CG1 C -8.826 -1.740 5.578 1.00 . A A . 3 ILE CG1 1 1
20 4482 1 1 3 ILE CG2 C -10.897 -2.668 4.413 1.00 . A A . 3 ILE CG2 1 1
20 4483 1 1 3 ILE H H -11.385 -0.826 2.267 1.00 . A A . 3 ILE H 1 1
20 4484 1 1 3 ILE HA H -8.688 -0.124 3.289 1.00 . A A . 3 ILE HA 1 1
20 4485 1 1 3 ILE HB H -10.548 -0.634 4.886 1.00 . A A . 3 ILE HB 1 1
20 4486 1 1 3 ILE HD11 H -9.287 -0.156 7.028 1.00 . A A . 3 ILE HD11 1 1
20 4487 1 1 3 ILE HD12 H -7.628 -0.785 7.140 1.00 . A A . 3 ILE HD12 1 1
20 4488 1 1 3 ILE HD13 H -8.068 0.317 5.810 1.00 . A A . 3 ILE HD13 1 1
20 4489 1 1 3 ILE HG12 H -9.148 -2.531 6.283 1.00 . A A . 3 ILE HG12 1 1
20 4490 1 1 3 ILE HG13 H -7.914 -2.159 5.117 1.00 . A A . 3 ILE HG13 1 1
20 4491 1 1 3 ILE HG21 H -10.403 -3.599 4.074 1.00 . A A . 3 ILE HG21 1 1
20 4492 1 1 3 ILE HG22 H -11.352 -2.885 5.398 1.00 . A A . 3 ILE HG22 1 1
20 4493 1 1 3 ILE HG23 H -11.735 -2.476 3.718 1.00 . A A . 3 ILE HG23 1 1
20 4494 1 1 3 ILE N N -10.434 -0.445 2.222 1.00 . A A . 3 ILE N 1 1
20 4495 1 1 3 ILE O O -7.214 -1.932 2.598 1.00 . A A . 3 ILE O 1 1
20 4496 1 1 4 GLN C C -7.157 -3.085 -0.242 1.00 . A A . 4 GLN C 1 1
20 4497 1 1 4 GLN CA C -8.122 -3.843 0.717 1.00 . A A . 4 GLN CA 1 1
20 4498 1 1 4 GLN CB C -9.035 -4.805 -0.098 1.00 . A A . 4 GLN CB 1 1
20 4499 1 1 4 GLN CD C -8.795 -7.195 0.860 1.00 . A A . 4 GLN CD 1 1
20 4500 1 1 4 GLN CG C -9.703 -5.958 0.685 1.00 . A A . 4 GLN CG 1 1
20 4501 1 1 4 GLN H H -9.973 -2.956 1.535 1.00 . A A . 4 GLN H 1 1
20 4502 1 1 4 GLN HA H -7.479 -4.459 1.377 1.00 . A A . 4 GLN HA 1 1
20 4503 1 1 4 GLN HB2 H -9.824 -4.213 -0.601 1.00 . A A . 4 GLN HB2 1 1
20 4504 1 1 4 GLN HB3 H -8.468 -5.247 -0.940 1.00 . A A . 4 GLN HB3 1 1
20 4505 1 1 4 GLN HE21 H -9.856 -8.205 -0.515 1.00 . A A . 4 GLN HE21 1 1
20 4506 1 1 4 GLN HE22 H -8.416 -9.061 0.229 1.00 . A A . 4 GLN HE22 1 1
20 4507 1 1 4 GLN HG2 H -10.042 -5.611 1.679 1.00 . A A . 4 GLN HG2 1 1
20 4508 1 1 4 GLN HG3 H -10.637 -6.236 0.159 1.00 . A A . 4 GLN HG3 1 1
20 4509 1 1 4 GLN N N -8.950 -2.975 1.603 1.00 . A A . 4 GLN N 1 1
20 4510 1 1 4 GLN NE2 N -9.046 -8.262 0.114 1.00 . A A . 4 GLN NE2 1 1
20 4511 1 1 4 GLN O O -5.998 -3.489 -0.334 1.00 . A A . 4 GLN O 1 1
20 4512 1 1 4 GLN OE1 O -7.861 -7.200 1.660 1.00 . A A . 4 GLN OE1 1 1
20 4513 1 1 5 . C C -5.612 -0.439 -1.069 1.00 . A A . 5 DIV C 1 1
20 4514 1 1 5 . CA C -6.811 -1.141 -1.829 1.00 . A A . 5 DIV CA 1 1
20 4515 1 1 5 . CB1 C -6.314 -1.985 -3.048 1.00 . A A . 5 DIV CB1 1 1
20 4516 1 1 5 . CB2 C -7.789 -0.037 -2.334 1.00 . A A . 5 DIV CB2 1 1
20 4517 1 1 5 . CG1 C -7.310 -2.525 -4.092 1.00 . A A . 5 DIV CG1 1 1
20 4518 1 1 5 . H2 H -8.541 -1.679 -0.656 1.00 . A A . 5 DIV H2 1 1
20 4519 1 1 5 . HB11 H -5.587 -1.356 -3.548 1.00 . A A . 5 DIV HB11 1 1
20 4520 1 1 5 . HB12 H -5.707 -2.838 -2.704 1.00 . A A . 5 DIV HB12 1 1
20 4521 1 1 5 . HB21 H -8.204 0.573 -1.513 1.00 . A A . 5 DIV HB21 1 1
20 4522 1 1 5 . HB22 H -7.300 0.669 -3.030 1.00 . A A . 5 DIV HB22 1 1
20 4523 1 1 5 . HB23 H -8.663 -0.455 -2.865 1.00 . A A . 5 DIV HB23 1 1
20 4524 1 1 5 . HG11 H -7.840 -1.710 -4.618 1.00 . A A . 5 DIV HG11 1 1
20 4525 1 1 5 . HG12 H -6.781 -3.112 -4.865 1.00 . A A . 5 DIV HG12 1 1
20 4526 1 1 5 . HG13 H -8.069 -3.182 -3.628 1.00 . A A . 5 DIV HG13 1 1
20 4527 1 1 5 . N N -7.617 -2.006 -0.925 1.00 . A A . 5 DIV N 1 1
20 4528 1 1 5 . O O -4.447 -0.601 -1.449 1.00 . A A . 5 DIV O 1 1
20 4529 1 1 6 ILE C C -3.909 -0.229 1.619 1.00 . A A . 6 ILE C 1 1
20 4530 1 1 6 ILE CA C -4.819 0.857 0.930 1.00 . A A . 6 ILE CA 1 1
20 4531 1 1 6 ILE CB C -5.456 1.912 1.914 1.00 . A A . 6 ILE CB 1 1
20 4532 1 1 6 ILE CD1 C -5.357 4.018 0.313 1.00 . A A . 6 ILE CD1 1 1
20 4533 1 1 6 ILE CG1 C -6.202 3.098 1.215 1.00 . A A . 6 ILE CG1 1 1
20 4534 1 1 6 ILE CG2 C -4.469 2.492 2.963 1.00 . A A . 6 ILE CG2 1 1
20 4535 1 1 6 ILE H H -6.873 0.319 0.294 1.00 . A A . 6 ILE H 1 1
20 4536 1 1 6 ILE HA H -4.122 1.422 0.280 1.00 . A A . 6 ILE HA 1 1
20 4537 1 1 6 ILE HB H -6.226 1.377 2.505 1.00 . A A . 6 ILE HB 1 1
20 4538 1 1 6 ILE HD11 H -4.912 3.468 -0.536 1.00 . A A . 6 ILE HD11 1 1
20 4539 1 1 6 ILE HD12 H -5.970 4.831 -0.112 1.00 . A A . 6 ILE HD12 1 1
20 4540 1 1 6 ILE HD13 H -4.528 4.494 0.868 1.00 . A A . 6 ILE HD13 1 1
20 4541 1 1 6 ILE HG12 H -7.040 2.703 0.611 1.00 . A A . 6 ILE HG12 1 1
20 4542 1 1 6 ILE HG13 H -6.702 3.722 1.980 1.00 . A A . 6 ILE HG13 1 1
20 4543 1 1 6 ILE HG21 H -3.584 2.952 2.487 1.00 . A A . 6 ILE HG21 1 1
20 4544 1 1 6 ILE HG22 H -4.939 3.262 3.604 1.00 . A A . 6 ILE HG22 1 1
20 4545 1 1 6 ILE HG23 H -4.098 1.708 3.648 1.00 . A A . 6 ILE HG23 1 1
20 4546 1 1 6 ILE N N -5.881 0.295 0.035 1.00 . A A . 6 ILE N 1 1
20 4547 1 1 6 ILE O O -2.754 0.082 1.923 1.00 . A A . 6 ILE O 1 1
20 4548 1 1 7 THR C C -2.613 -3.212 1.254 1.00 . A A . 7 THR C 1 1
20 4549 1 1 7 THR CA C -3.568 -2.610 2.322 1.00 . A A . 7 THR CA 1 1
20 4550 1 1 7 THR CB C -4.468 -3.660 3.033 1.00 . A A . 7 THR CB 1 1
20 4551 1 1 7 THR CG2 C -3.735 -4.885 3.608 1.00 . A A . 7 THR CG2 1 1
20 4552 1 1 7 THR H H -5.343 -1.621 1.467 1.00 . A A . 7 THR H 1 1
20 4553 1 1 7 THR HA H -2.900 -2.208 3.100 1.00 . A A . 7 THR HA 1 1
20 4554 1 1 7 THR HB H -5.229 -4.028 2.321 1.00 . A A . 7 THR HB 1 1
20 4555 1 1 7 THR HG1 H -5.599 -2.285 3.759 1.00 . A A . 7 THR HG1 1 1
20 4556 1 1 7 THR HG21 H -4.423 -5.526 4.189 1.00 . A A . 7 THR HG21 1 1
20 4557 1 1 7 THR HG22 H -3.306 -5.516 2.806 1.00 . A A . 7 THR HG22 1 1
20 4558 1 1 7 THR HG23 H -2.904 -4.593 4.279 1.00 . A A . 7 THR HG23 1 1
20 4559 1 1 7 THR N N -4.390 -1.473 1.826 1.00 . A A . 7 THR N 1 1
20 4560 1 1 7 THR O O -1.463 -3.462 1.613 1.00 . A A . 7 THR O 1 1
20 4561 1 1 7 THR OG1 O -5.140 -3.044 4.127 1.00 . A A . 7 THR OG1 1 1
20 4562 1 1 8 ABA C C -0.930 -2.679 -1.345 1.00 . A A . 8 AIB C 1 1
20 4563 1 1 8 ABA CA C -2.081 -3.745 -1.151 1.00 . A A . 8 AIB CA 1 1
20 4564 1 1 8 ABA N N -3.022 -3.435 -0.017 1.00 . A A . 8 AIB N 1 1
20 4565 1 1 8 ABA O O 0.235 -3.019 -1.589 1.00 . A A . 8 AIB O 1 1
20 4566 1 1 9 LEU C C 0.525 0.000 0.050 1.00 . A A . 9 LEU C 1 1
20 4567 1 1 9 LEU CA C -0.296 -0.259 -1.259 1.00 . A A . 9 LEU CA 1 1
20 4568 1 1 9 LEU CB C -1.075 0.997 -1.738 1.00 . A A . 9 LEU CB 1 1
20 4569 1 1 9 LEU CD1 C -2.729 1.819 -3.527 1.00 . A A . 9 LEU CD1 1 1
20 4570 1 1 9 LEU CD2 C -0.282 1.445 -4.144 1.00 . A A . 9 LEU CD2 1 1
20 4571 1 1 9 LEU CG C -1.457 0.993 -3.251 1.00 . A A . 9 LEU CG 1 1
20 4572 1 1 9 LEU H H -2.261 -1.205 -1.029 1.00 . A A . 9 LEU H 1 1
20 4573 1 1 9 LEU HA H 0.456 -0.473 -2.038 1.00 . A A . 9 LEU HA 1 1
20 4574 1 1 9 LEU HB2 H -1.980 1.117 -1.110 1.00 . A A . 9 LEU HB2 1 1
20 4575 1 1 9 LEU HB3 H -0.480 1.903 -1.525 1.00 . A A . 9 LEU HB3 1 1
20 4576 1 1 9 LEU HD11 H -2.611 2.882 -3.241 1.00 . A A . 9 LEU HD11 1 1
20 4577 1 1 9 LEU HD12 H -3.008 1.786 -4.598 1.00 . A A . 9 LEU HD12 1 1
20 4578 1 1 9 LEU HD13 H -3.598 1.422 -2.966 1.00 . A A . 9 LEU HD13 1 1
20 4579 1 1 9 LEU HD21 H 0.617 0.820 -3.979 1.00 . A A . 9 LEU HD21 1 1
20 4580 1 1 9 LEU HD22 H -0.528 1.364 -5.220 1.00 . A A . 9 LEU HD22 1 1
20 4581 1 1 9 LEU HD23 H 0.011 2.494 -3.947 1.00 . A A . 9 LEU HD23 1 1
20 4582 1 1 9 LEU HG H -1.714 -0.039 -3.554 1.00 . A A . 9 LEU HG 1 1
20 4583 1 1 9 LEU N N -1.266 -1.380 -1.215 1.00 . A A . 9 LEU N 1 1
20 4584 1 1 9 LEU O O 1.522 0.725 -0.035 1.00 . A A . 9 LEU O 1 1
20 4585 1 1 10 ABA C C 2.405 -1.100 2.373 1.00 . A A . 10 AIB C 1 1
20 4586 1 1 10 ABA CA C 0.943 -0.487 2.508 1.00 . A A . 10 AIB CA 1 1
20 4587 1 1 10 ABA N N 0.160 -0.572 1.231 1.00 . A A . 10 AIB N 1 1
20 4588 1 1 10 ABA O O 3.353 -0.362 2.655 1.00 . A A . 10 AIB O 1 1
20 4589 1 1 11 HYP C C 4.699 -2.089 0.231 1.00 . A A . 11 HYP C 1 1
20 4590 1 1 11 HYP CA C 4.065 -2.782 1.485 1.00 . A A . 11 HYP CA 1 1
20 4591 1 1 11 HYP CB C 3.925 -4.305 1.300 1.00 . A A . 11 HYP CB 1 1
20 4592 1 1 11 HYP CD C 1.722 -3.448 1.713 1.00 . A A . 11 HYP CD 1 1
20 4593 1 1 11 HYP CG C 2.464 -4.526 0.922 1.00 . A A . 11 HYP CG 1 1
20 4594 1 1 11 HYP HA H 4.750 -2.609 2.336 1.00 . A A . 11 HYP HA 1 1
20 4595 1 1 11 HYP HB2 H 4.618 -4.725 0.551 1.00 . A A . 11 HYP HB2 1 1
20 4596 1 1 11 HYP HB3 H 4.146 -4.827 2.248 1.00 . A A . 11 HYP HB3 1 1
20 4597 1 1 11 HYP HD1 H 1.132 -5.710 1.654 1.00 . A A . 11 HYP HD1 1 1
20 4598 1 1 11 HYP HD22 H 0.831 -3.123 1.157 1.00 . A A . 11 HYP HD22 1 1
20 4599 1 1 11 HYP HD23 H 1.412 -3.835 2.703 1.00 . A A . 11 HYP HD23 1 1
20 4600 1 1 11 HYP HG H 2.323 -4.376 -0.168 1.00 . A A . 11 HYP HG 1 1
20 4601 1 1 11 HYP N N 2.696 -2.360 1.898 1.00 . A A . 11 HYP N 1 1
20 4602 1 1 11 HYP O O 5.896 -2.298 0.008 1.00 . A A . 11 HYP O 1 1
20 4603 1 1 11 HYP OD1 O 2.017 -5.824 1.299 1.00 . A A . 11 HYP OD1 1 1
20 4604 1 1 12 GLN C C 4.893 1.115 -1.053 1.00 . A A . 12 GLN C 1 1
20 4605 1 1 12 GLN CA C 4.564 -0.331 -1.546 1.00 . A A . 12 GLN CA 1 1
20 4606 1 1 12 GLN CB C 3.670 -0.270 -2.817 1.00 . A A . 12 GLN CB 1 1
20 4607 1 1 12 GLN CD C 2.650 -1.495 -4.841 1.00 . A A . 12 GLN CD 1 1
20 4608 1 1 12 GLN CG C 3.325 -1.625 -3.463 1.00 . A A . 12 GLN CG 1 1
20 4609 1 1 12 GLN H H 3.015 -1.050 -0.211 1.00 . A A . 12 GLN H 1 1
20 4610 1 1 12 GLN HA H 5.549 -0.739 -1.832 1.00 . A A . 12 GLN HA 1 1
20 4611 1 1 12 GLN HB2 H 2.729 0.263 -2.591 1.00 . A A . 12 GLN HB2 1 1
20 4612 1 1 12 GLN HB3 H 4.181 0.358 -3.565 1.00 . A A . 12 GLN HB3 1 1
20 4613 1 1 12 GLN HE21 H 1.065 -2.535 -4.195 1.00 . A A . 12 GLN HE21 1 1
20 4614 1 1 12 GLN HE22 H 1.069 -1.959 -5.948 1.00 . A A . 12 GLN HE22 1 1
20 4615 1 1 12 GLN HG2 H 4.245 -2.232 -3.556 1.00 . A A . 12 GLN HG2 1 1
20 4616 1 1 12 GLN HG3 H 2.681 -2.174 -2.741 1.00 . A A . 12 GLN HG3 1 1
20 4617 1 1 12 GLN N N 3.967 -1.241 -0.531 1.00 . A A . 12 GLN N 1 1
20 4618 1 1 12 GLN NE2 N 1.454 -2.030 -4.999 1.00 . A A . 12 GLN NE2 1 1
20 4619 1 1 12 GLN O O 5.225 1.949 -1.894 1.00 . A A . 12 GLN O 1 1
20 4620 1 1 12 GLN OE1 O 3.199 -0.930 -5.786 1.00 . A A . 12 GLN OE1 1 1
20 4621 1 1 13 ABA C C 7.181 1.881 1.154 1.00 . A A . 13 AIB C 1 1
20 4622 1 1 13 ABA CA C 5.691 2.452 0.954 1.00 . A A . 13 AIB CA 1 1
20 4623 1 1 13 ABA N N 4.876 1.396 0.271 1.00 . A A . 13 AIB N 1 1
20 4624 1 1 13 ABA O O 8.116 2.440 0.558 1.00 . A A . 13 AIB O 1 1
20 4625 1 1 14 HYP C C 9.556 -0.378 0.779 1.00 . A A . 14 HYP C 1 1
20 4626 1 1 14 HYP CA C 8.869 0.223 2.036 1.00 . A A . 14 HYP CA 1 1
20 4627 1 1 14 HYP CB C 8.770 -0.811 3.176 1.00 . A A . 14 HYP CB 1 1
20 4628 1 1 14 HYP CD C 6.516 -0.050 2.632 1.00 . A A . 14 HYP CD 1 1
20 4629 1 1 14 HYP CG C 7.287 -1.122 3.396 1.00 . A A . 14 HYP CG 1 1
20 4630 1 1 14 HYP HA H 9.515 1.046 2.396 1.00 . A A . 14 HYP HA 1 1
20 4631 1 1 14 HYP HB2 H 9.322 -1.746 2.956 1.00 . A A . 14 HYP HB2 1 1
20 4632 1 1 14 HYP HB3 H 9.223 -0.399 4.097 1.00 . A A . 14 HYP HB3 1 1
20 4633 1 1 14 HYP HD1 H 7.236 -0.212 5.080 1.00 . A A . 14 HYP HD1 1 1
20 4634 1 1 14 HYP HD22 H 5.804 -0.513 1.942 1.00 . A A . 14 HYP HD22 1 1
20 4635 1 1 14 HYP HD23 H 5.931 0.566 3.312 1.00 . A A . 14 HYP HD23 1 1
20 4636 1 1 14 HYP HG H 7.034 -2.124 2.998 1.00 . A A . 14 HYP HG 1 1
20 4637 1 1 14 HYP N N 7.491 0.757 1.891 1.00 . A A . 14 HYP N 1 1
20 4638 1 1 14 HYP O O 10.763 -0.164 0.643 1.00 . A A . 14 HYP O 1 1
20 4639 1 1 14 HYP OD1 O 6.969 -1.084 4.782 1.00 . A A . 14 HYP OD1 1 1
20 4640 1 1 15 ABA C C 10.136 -0.660 -2.312 1.00 . A A . 15 AIB C 1 1
20 4641 1 1 15 ABA CA C 9.452 -1.727 -1.352 1.00 . A A . 15 AIB CA 1 1
20 4642 1 1 15 ABA N N 8.855 -1.130 -0.112 1.00 . A A . 15 AIB N 1 1
20 4643 1 1 15 ABA O O 11.277 -0.898 -2.727 1.00 . A A . 15 AIB O 1 1
20 4644 1 1 16 PRO C C 11.315 2.420 -2.202 1.00 . A A . 16 PRO C 1 1
20 4645 1 1 16 PRO CA C 10.362 1.681 -3.180 1.00 . A A . 16 PRO CA 1 1
20 4646 1 1 16 PRO CB C 9.294 2.590 -3.808 1.00 . A A . 16 PRO CB 1 1
20 4647 1 1 16 PRO CD C 8.159 0.906 -2.431 1.00 . A A . 16 PRO CD 1 1
20 4648 1 1 16 PRO CG C 8.010 2.311 -3.029 1.00 . A A . 16 PRO CG 1 1
20 4649 1 1 16 PRO HA H 11.012 1.301 -3.972 1.00 . A A . 16 PRO HA 1 1
20 4650 1 1 16 PRO HB2 H 9.562 3.662 -3.787 1.00 . A A . 16 PRO HB2 1 1
20 4651 1 1 16 PRO HB3 H 9.145 2.329 -4.873 1.00 . A A . 16 PRO HB3 1 1
20 4652 1 1 16 PRO HD2 H 7.893 0.926 -1.365 1.00 . A A . 16 PRO HD2 1 1
20 4653 1 1 16 PRO HD3 H 7.482 0.173 -2.887 1.00 . A A . 16 PRO HD3 1 1
20 4654 1 1 16 PRO HG2 H 7.896 3.055 -2.219 1.00 . A A . 16 PRO HG2 1 1
20 4655 1 1 16 PRO HG3 H 7.114 2.399 -3.672 1.00 . A A . 16 PRO HG3 1 1
20 4656 1 1 16 PRO N N 9.570 0.545 -2.643 1.00 . A A . 16 PRO N 1 1
20 4657 1 1 16 PRO O O 12.335 2.933 -2.669 1.00 . A A . 16 PRO O 1 1
20 4658 1 1 17 PHL C C 12.358 2.513 1.189 1.00 . A A . 17 PHL C 1 1
20 4659 1 1 17 PHL CA C 11.734 3.361 0.056 1.00 . A A . 17 PHL CA 1 1
20 4660 1 1 17 PHL CB C 10.792 4.462 0.608 1.00 . A A . 17 PHL CB 1 1
20 4661 1 1 17 PHL CD1 C 10.812 6.029 -1.442 1.00 . A A . 17 PHL CD1 1 1
20 4662 1 1 17 PHL CD2 C 8.726 5.630 -0.300 1.00 . A A . 17 PHL CD2 1 1
20 4663 1 1 17 PHL CE1 C 10.150 6.840 -2.364 1.00 . A A . 17 PHL CE1 1 1
20 4664 1 1 17 PHL CE2 C 8.064 6.437 -1.223 1.00 . A A . 17 PHL CE2 1 1
20 4665 1 1 17 PHL CG C 10.103 5.405 -0.406 1.00 . A A . 17 PHL CG 1 1
20 4666 1 1 17 PHL CZ C 8.780 7.043 -2.249 1.00 . A A . 17 PHL CZ 1 1
20 4667 1 1 17 PHL H2 H 10.095 2.033 -0.665 1.00 . A A . 17 PHL H2 1 1
20 4668 1 1 17 PHL HA H 12.579 3.868 -0.454 1.00 . A A . 17 PHL HA 1 1
20 4669 1 1 17 PHL HB2 H 10.025 3.938 1.213 1.00 . A A . 17 PHL HB2 1 1
20 4670 1 1 17 PHL HB3 H 11.351 5.086 1.333 1.00 . A A . 17 PHL HB3 1 1
20 4671 1 1 17 PHL HC1 H 12.824 1.594 0.786 1.00 . A A . 17 PHL HC1 1 1
20 4672 1 1 17 PHL HC2 H 11.591 2.188 1.921 1.00 . A A . 17 PHL HC2 1 1
20 4673 1 1 17 PHL HD1 H 11.874 5.865 -1.553 1.00 . A A . 17 PHL HD1 1 1
20 4674 1 1 17 PHL HD2 H 8.165 5.170 0.497 1.00 . A A . 17 PHL HD2 1 1
20 4675 1 1 17 PHL HE1 H 10.698 7.298 -3.174 1.00 . A A . 17 PHL HE1 1 1
20 4676 1 1 17 PHL HE2 H 6.997 6.582 -1.145 1.00 . A A . 17 PHL HE2 1 1
20 4677 1 1 17 PHL HO H 12.980 4.084 2.115 1.00 . A A . 17 PHL HO 1 1
20 4678 1 1 17 PHL HZ H 8.264 7.672 -2.965 1.00 . A A . 17 PHL HZ 1 1
20 4679 1 1 17 PHL N N 10.988 2.496 -0.897 1.00 . A A . 17 PHL N 1 1
20 4680 1 1 17 PHL O O 13.370 3.245 1.871 1.00 . A A . 17 PHL O 1 1
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