NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
378088 |
1gq0   |
cing | 4-filtered-FRED | STAR | entry | full | 43 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1gq0
# This FRED archive file contains, for PDB entry <1gq0>:
#
# - 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_1gq0
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1gq0
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1488.56
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $ANTIAMOEBIN_I A . 1 1
stop_
save_
save_ANTIAMOEBIN_I
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "ANTIAMOEBIN I"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XFXXXXGLXXXQXXXPX
_Entity.Number_of_monomers 17
loop_
_Entity_comp_index.ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 ACE $ACE 1 1
2 PHE . 1 1
3 ABA $ABA 1 1
4 ABA $ABA 1 1
5 ABA $ABA 1 1
6 . $. 1 1
7 GLY . 1 1
8 LEU . 1 1
9 ABA $ABA 1 1
10 ABA $ABA 1 1
11 HYP $HYP 1 1
12 GLN . 1 1
13 . $. 1 1
14 . $. 1 1
15 ABA $ABA 1 1
16 PRO . 1 1
17 PDH $PDH 1 1
stop_
loop_
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
ACE 1 1 1 1
PHE 2 2 1 1
ABA 3 3 1 1
ABA 4 4 1 1
ABA 5 5 1 1
. 6 6 1 1
GLY 7 7 1 1
LEU 8 8 1 1
ABA 9 9 1 1
ABA 10 10 1 1
HYP 11 11 1 1
GLN 12 12 1 1
. 13 13 1 1
. 14 14 1 1
ABA 15 15 1 1
PRO 16 16 1 1
PDH 17 17 1 1
stop_
save_
save_PDH
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID PDH
_Chem_comp.Type non-polymer
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_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
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 PHE H . 2 . HN 1 1
1 1 2 1 1 2 PHE HA . 2 . HA 1 1
2 1 1 1 1 2 PHE H . 2 . HN 1 1
2 1 2 1 1 2 PHE HB2 . 2 . HB2 1 1
3 1 1 1 1 2 PHE H . 2 . HN 1 1
3 1 2 1 1 4 ABA H . 4 . HN 1 1
4 1 1 1 1 2 PHE HA . 2 . HA 1 1
4 1 2 1 1 2 PHE HB2 . 2 . HB2 1 1
5 1 1 1 1 2 PHE HA . 2 . HA 1 1
5 1 2 1 1 2 PHE HB3 . 2 . HB1 1 1
6 1 1 1 1 2 PHE HA . 2 . HA 1 1
6 1 2 1 1 4 ABA H . 4 . HN 1 1
7 1 1 1 1 2 PHE HB3 . 2 . HB1 1 1
7 1 2 1 1 4 ABA H . 4 . HN 1 1
8 1 1 1 1 2 PHE HB3 . 2 . HB1 1 1
8 1 2 1 1 5 ABA H . 5 . HN 1 1
9 1 1 1 1 4 ABA H . 4 . HN 1 1
9 1 2 1 1 5 ABA H . 5 . HN 1 1
10 1 1 1 1 4 ABA H . 4 . HN 1 1
10 1 2 1 1 8 LEU HA . 8 . HA 1 1
11 1 1 1 1 5 ABA H . 5 . HN 1 1
11 1 2 1 1 8 LEU HB3 . 8 . HB1 1 1
12 1 1 1 1 7 GLY H . 7 . HN 1 1
12 1 2 1 1 7 GLY HA2 . 7 . HA1 1 1
13 1 1 1 1 7 GLY H . 7 . HN 1 1
13 1 2 1 1 7 GLY HA3 . 7 . HA2 1 1
14 1 1 1 1 7 GLY H . 7 . HN 1 1
14 1 2 1 1 8 LEU H . 8 . HN 1 1
15 1 1 1 1 7 GLY HA2 . 7 . HA1 1 1
15 1 2 1 1 8 LEU H . 8 . HN 1 1
16 1 1 1 1 7 GLY HA3 . 7 . HA2 1 1
16 1 2 1 1 8 LEU H . 8 . HN 1 1
17 1 1 1 1 7 GLY HA3 . 7 . HA2 1 1
17 1 2 1 1 10 ABA H . 10 . HN 1 1
18 1 1 1 1 8 LEU H . 8 . HN 1 1
18 1 2 1 1 8 LEU HA . 8 . HA 1 1
19 1 1 1 1 8 LEU H . 8 . HN 1 1
19 1 2 1 1 8 LEU HB3 . 8 . HB1 1 1
20 1 1 1 1 8 LEU H . 8 . HN 1 1
20 1 2 1 1 8 LEU HG . 8 . HG 1 1
21 1 1 1 1 8 LEU H . 8 . HN 1 1
21 1 2 1 1 9 ABA H . 9 . HN 1 1
22 1 1 1 1 8 LEU HA . 8 . HA 1 1
22 1 2 1 1 8 LEU HB3 . 8 . HB1 1 1
23 1 1 1 1 8 LEU HA . 8 . HA 1 1
23 1 2 1 1 9 ABA H . 9 . HN 1 1
24 1 1 1 1 8 LEU HA . 8 . HA 1 1
24 1 2 1 1 10 ABA H . 10 . HN 1 1
25 1 1 1 1 10 ABA H . 10 . HN 1 1
25 1 2 1 1 11 HYP HD1 . 11 . HD1 1 1
26 1 1 1 1 11 HYP HA . 11 . HA 1 1
26 1 2 1 1 11 HYP HB2 . 11 . HB1 1 1
27 1 1 1 1 11 HYP HA . 11 . HA 1 1
27 1 2 1 1 12 GLN H . 12 . HN 1 1
28 1 1 1 1 11 HYP HB2 . 11 . HB1 1 1
28 1 2 1 1 12 GLN H . 12 . HN 1 1
29 1 1 1 1 11 HYP HB3 . 11 . HB2 1 1
29 1 2 1 1 11 HYP HD1 . 11 . HD1 1 1
30 1 1 1 1 12 GLN H . 12 . HN 1 1
30 1 2 1 1 12 GLN HA . 12 . HA 1 1
31 1 1 1 1 12 GLN H . 12 . HN 1 1
31 1 2 1 1 12 GLN HB2 . 12 . HB2 1 1
32 1 1 1 1 12 GLN H . 12 . HN 1 1
32 1 2 1 1 12 GLN HG2 . 12 . HG2 1 1
33 1 1 1 1 12 GLN HA . 12 . HA 1 1
33 1 2 1 1 12 GLN HG2 . 12 . HG2 1 1
34 1 1 1 1 12 GLN HA . 12 . HA 1 1
34 1 2 1 1 15 ABA H . 15 . HN 1 1
35 1 1 1 1 15 ABA H . 15 . HN 1 1
35 1 2 1 1 16 PRO HD2 . 16 . HD1 1 1
36 1 1 1 1 16 PRO HA . 16 . HA 1 1
36 1 2 1 1 17 PDH HN . 17 . HN 1 1
37 1 1 1 1 16 PRO HB2 . 16 . HB2 1 1
37 1 2 1 1 17 PDH HN . 17 . HN 1 1
38 1 1 1 1 16 PRO HB3 . 16 . HB1 1 1
38 1 2 1 1 17 PDH HN . 17 . HN 1 1
39 1 1 1 1 16 PRO HD2 . 16 . HD1 1 1
39 1 2 1 1 17 PDH HN . 17 . HN 1 1
40 1 1 1 1 16 PRO HG3 . 16 . HG2 1 1
40 1 2 1 1 17 PDH HN . 17 . HN 1 1
41 1 1 1 1 17 PDH H1 . 17 . H1 1 1
41 1 2 1 1 17 PDH HA . 17 . HA 1 1
42 1 1 1 1 17 PDH H2 . 17 . H2 1 1
42 1 2 1 1 17 PDH HN . 17 . HN 1 1
43 1 1 1 1 17 PDH HA . 17 . HA 1 1
43 1 2 1 1 17 PDH HN . 17 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.5 1.9 3.4 1 1
2 1 . . . . . 3.1 2.8 3.4 1 1
3 1 . . . . . 3.5 3.1 3.9 1 1
4 1 . . . . . 3.0 2.7 3.3 1 1
5 1 . . . . . 2.9 2.6 3.2 1 1
6 1 . . . . . 3.9 3.1 4.7 1 1
7 1 . . . . . 3.6 3.2 4.0 1 1
8 1 . . . . . 3.8 3.0 4.6 1 1
9 1 . . . . . 2.5 1.5 3.5 1 1
10 1 . . . . . 3.8 3.0 4.6 1 1
11 1 . . . . . 3.6 2.8 4.4 1 1
12 1 . . . . . 2.7 2.1 3.3 1 1
13 1 . . . . . 2.8 2.2 3.4 1 1
14 1 . . . . . 3.15 2.55 3.75 1 1
15 1 . . . . . 3.4 3.1 3.7 1 1
16 1 . . . . . 3.3 3.0 3.6 1 1
17 1 . . . . . 3.9 3.5 4.3 1 1
18 1 . . . . . 2.8 2.2 3.4 1 1
19 1 . . . . . 3.1 2.7 4.2 1 1
20 1 . . . . . 2.5 1.5 3.5 1 1
21 1 . . . . . 3.05 2.45 3.65 1 1
22 1 . . . . . 2.5 2.2 2.8 1 1
23 1 . . . . . 2.8 2.2 3.4 1 1
24 1 . . . . . 3.7 2.9 4.5 1 1
25 1 . . . . . 3.5 3.1 3.9 1 1
26 1 . . . . . 2.3 2.1 2.5 1 1
27 1 . . . . . 3.4 2.8 4.0 1 1
28 1 . . . . . 3.9 2.9 4.9 1 1
29 1 . . . . . 2.8 2.2 3.4 1 1
30 1 . . . . . 3.0 2.4 3.6 1 1
31 1 . . . . . 2.5 2.2 2.8 1 1
32 1 . . . . . 3.0 2.7 3.3 1 1
33 1 . . . . . 3.2 2.9 3.5 1 1
34 1 . . . . . 4.3 3.3 5.3 1 1
35 1 . . . . . 3.5 2.5 4.5 1 1
36 1 . . . . . 3.4 3.1 3.7 1 1
37 1 . . . . . 2.9 2.6 3.2 1 1
38 1 . . . . . 4.5 4.0 5.3 1 1
39 1 . . . . . 4.2 3.2 5.2 1 1
40 1 . . . . . 4.0 3.2 4.8 1 1
41 1 . . . . . 3.4 2.8 4.0 1 1
42 1 . . . . . 3.0 2.4 3.6 1 1
43 1 . . . . . 2.7 1.0 3.4 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 2.187 4.719 -0.847 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C 2.409 5.765 0.270 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 1.766 5.549 1.110 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H 2.177 6.753 -0.106 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H 3.438 5.745 0.594 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O 1.008 5.071 -0.799 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 PHE C C 2.053 1.883 1.398 1.00 . A A . 2 PHE C 1 1
1 8 1 1 2 PHE CA C 1.505 2.833 0.339 1.00 . A A . 2 PHE CA 1 1
1 9 1 1 2 PHE CB C 0.659 2.055 -0.671 1.00 . A A . 2 PHE CB 1 1
1 10 1 1 2 PHE CD1 C -1.426 3.453 -0.675 1.00 . A A . 2 PHE CD1 1 1
1 11 1 1 2 PHE CD2 C -0.271 3.137 -2.738 1.00 . A A . 2 PHE CD2 1 1
1 12 1 1 2 PHE CE1 C -2.372 4.229 -1.319 1.00 . A A . 2 PHE CE1 1 1
1 13 1 1 2 PHE CE2 C -1.214 3.912 -3.388 1.00 . A A . 2 PHE CE2 1 1
1 14 1 1 2 PHE CG C -0.366 2.899 -1.375 1.00 . A A . 2 PHE CG 1 1
1 15 1 1 2 PHE CZ C -2.265 4.458 -2.677 1.00 . A A . 2 PHE CZ 1 1
1 16 1 1 2 PHE H H 3.169 3.664 0.439 1.00 . A A . 2 PHE H 1 1
1 17 1 1 2 PHE HA H 0.883 3.571 0.823 1.00 . A A . 2 PHE HA 1 1
1 18 1 1 2 PHE HB2 H 1.309 1.628 -1.419 1.00 . A A . 2 PHE HB2 1 1
1 19 1 1 2 PHE HB3 H 0.139 1.260 -0.156 1.00 . A A . 2 PHE HB3 1 1
1 20 1 1 2 PHE HD1 H -1.510 3.276 0.387 1.00 . A A . 2 PHE HD1 1 1
1 21 1 1 2 PHE HD2 H 0.550 2.710 -3.295 1.00 . A A . 2 PHE HD2 1 1
1 22 1 1 2 PHE HE1 H -3.193 4.654 -0.762 1.00 . A A . 2 PHE HE1 1 1
1 23 1 1 2 PHE HE2 H -1.129 4.090 -4.450 1.00 . A A . 2 PHE HE2 1 1
1 24 1 1 2 PHE HZ H -3.004 5.063 -3.183 1.00 . A A . 2 PHE HZ 1 1
1 25 1 1 2 PHE N N 2.588 3.536 -0.343 1.00 . A A . 2 PHE N 1 1
1 26 1 1 2 PHE O O 3.244 1.532 1.354 1.00 . A A . 2 PHE O 1 1
1 27 1 1 3 ABA C C 1.905 -0.816 2.894 1.00 . A A . 3 AIB C 1 1
1 28 1 1 3 ABA CA C 1.529 0.579 3.430 1.00 . A A . 3 AIB CA 1 1
1 29 1 1 3 ABA H H 0.243 1.823 2.291 1.00 . A A . 3 AIB H 1 1
1 30 1 1 3 ABA N N 1.164 1.490 2.336 1.00 . A A . 3 AIB N 1 1
1 31 1 1 3 ABA O O 1.288 -1.804 3.324 1.00 . A A . 3 AIB O 1 1
1 32 1 1 4 ABA C C 4.560 -1.898 0.425 1.00 . A A . 4 AIB C 1 1
1 33 1 1 4 ABA CA C 3.369 -2.128 1.376 1.00 . A A . 4 AIB CA 1 1
1 34 1 1 4 ABA H H 3.360 -0.039 1.669 1.00 . A A . 4 AIB H 1 1
1 35 1 1 4 ABA N N 2.911 -0.864 1.968 1.00 . A A . 4 AIB N 1 1
1 36 1 1 4 ABA O O 5.422 -2.786 0.350 1.00 . A A . 4 AIB O 1 1
1 37 1 1 5 ABA C C 6.812 -1.356 -1.158 1.00 . A A . 5 AIB C 1 1
1 38 1 1 5 ABA CA C 5.637 -0.360 -1.222 1.00 . A A . 5 AIB CA 1 1
1 39 1 1 5 ABA H H 3.844 -0.053 -0.166 1.00 . A A . 5 AIB H 1 1
1 40 1 1 5 ABA N N 4.568 -0.715 -0.274 1.00 . A A . 5 AIB N 1 1
1 41 1 1 5 ABA O O 7.872 -0.995 -0.620 1.00 . A A . 5 AIB O 1 1
1 42 1 1 6 . C C 8.614 -3.455 -0.547 1.00 . A A . 6 DIV C 1 1
1 43 1 1 6 . CA C 7.646 -3.635 -1.740 1.00 . A A . 6 DIV CA 1 1
1 44 1 1 6 . CB1 C 7.121 -5.031 -1.925 1.00 . A A . 6 DIV CB1 1 1
1 45 1 1 6 . CB2 C 8.415 -3.693 -3.052 1.00 . A A . 6 DIV CB2 1 1
1 46 1 1 6 . CG1 C 6.280 -5.516 -0.756 1.00 . A A . 6 DIV CG1 1 1
1 47 1 1 6 . H H 5.742 -2.823 -2.135 1.00 . A A . 6 DIV H 1 1
1 48 1 1 6 . HB11 H 7.947 -5.719 -2.038 1.00 . A A . 6 DIV HB11 1 1
1 49 1 1 6 . HB12 H 6.504 -5.072 -2.811 1.00 . A A . 6 DIV HB12 1 1
1 50 1 1 6 . HB21 H 9.157 -4.476 -3.005 1.00 . A A . 6 DIV HB21 1 1
1 51 1 1 6 . HB22 H 8.905 -2.748 -3.230 1.00 . A A . 6 DIV HB22 1 1
1 52 1 1 6 . HB23 H 7.734 -3.898 -3.866 1.00 . A A . 6 DIV HB23 1 1
1 53 1 1 6 . HG11 H 5.886 -6.496 -0.984 1.00 . A A . 6 DIV HG11 1 1
1 54 1 1 6 . HG12 H 5.459 -4.834 -0.580 1.00 . A A . 6 DIV HG12 1 1
1 55 1 1 6 . HG13 H 6.895 -5.578 0.129 1.00 . A A . 6 DIV HG13 1 1
1 56 1 1 6 . N N 6.602 -2.590 -1.720 1.00 . A A . 6 DIV N 1 1
1 57 1 1 6 . O O 9.795 -3.169 -0.740 1.00 . A A . 6 DIV O 1 1
1 58 1 1 7 GLY C C 9.030 -2.096 2.426 1.00 . A A . 7 GLY C 1 1
1 59 1 1 7 GLY CA C 8.953 -3.510 1.855 1.00 . A A . 7 GLY CA 1 1
1 60 1 1 7 GLY H H 7.147 -3.892 0.802 1.00 . A A . 7 GLY H 1 1
1 61 1 1 7 GLY HA2 H 9.950 -3.827 1.587 1.00 . A A . 7 GLY HA2 1 1
1 62 1 1 7 GLY HA3 H 8.581 -4.167 2.625 1.00 . A A . 7 GLY HA3 1 1
1 63 1 1 7 GLY N N 8.099 -3.643 0.684 1.00 . A A . 7 GLY N 1 1
1 64 1 1 7 GLY O O 9.887 -1.830 3.268 1.00 . A A . 7 GLY O 1 1
1 65 1 1 8 LEU C C 9.445 0.624 3.052 1.00 . A A . 8 LEU C 1 1
1 66 1 1 8 LEU CA C 8.105 0.183 2.472 1.00 . A A . 8 LEU CA 1 1
1 67 1 1 8 LEU CB C 7.015 0.333 3.535 1.00 . A A . 8 LEU CB 1 1
1 68 1 1 8 LEU CD1 C 7.609 0.429 5.970 1.00 . A A . 8 LEU CD1 1 1
1 69 1 1 8 LEU CD2 C 6.007 -1.305 5.143 1.00 . A A . 8 LEU CD2 1 1
1 70 1 1 8 LEU CG C 7.242 -0.483 4.809 1.00 . A A . 8 LEU CG 1 1
1 71 1 1 8 LEU H H 7.479 -1.470 1.320 1.00 . A A . 8 LEU H 1 1
1 72 1 1 8 LEU HA H 7.863 0.821 1.636 1.00 . A A . 8 LEU HA 1 1
1 73 1 1 8 LEU HB2 H 6.947 1.376 3.806 1.00 . A A . 8 LEU HB2 1 1
1 74 1 1 8 LEU HB3 H 6.074 0.028 3.102 1.00 . A A . 8 LEU HB3 1 1
1 75 1 1 8 LEU HD11 H 7.755 1.435 5.605 1.00 . A A . 8 LEU HD11 1 1
1 76 1 1 8 LEU HD12 H 6.811 0.423 6.699 1.00 . A A . 8 LEU HD12 1 1
1 77 1 1 8 LEU HD13 H 8.520 0.077 6.430 1.00 . A A . 8 LEU HD13 1 1
1 78 1 1 8 LEU HD21 H 5.256 -1.153 4.382 1.00 . A A . 8 LEU HD21 1 1
1 79 1 1 8 LEU HD22 H 6.272 -2.351 5.183 1.00 . A A . 8 LEU HD22 1 1
1 80 1 1 8 LEU HD23 H 5.616 -0.996 6.101 1.00 . A A . 8 LEU HD23 1 1
1 81 1 1 8 LEU HG H 8.065 -1.164 4.650 1.00 . A A . 8 LEU HG 1 1
1 82 1 1 8 LEU N N 8.138 -1.199 1.984 1.00 . A A . 8 LEU N 1 1
1 83 1 1 8 LEU O O 9.477 1.228 4.139 1.00 . A A . 8 LEU O 1 1
1 84 1 1 9 ABA C C 12.940 -0.214 2.017 1.00 . A A . 9 AIB C 1 1
1 85 1 1 9 ABA CA C 11.893 0.665 2.730 1.00 . A A . 9 AIB CA 1 1
1 86 1 1 9 ABA H H 10.408 -0.168 1.465 1.00 . A A . 9 AIB H 1 1
1 87 1 1 9 ABA N N 10.530 0.312 2.311 1.00 . A A . 9 AIB N 1 1
1 88 1 1 9 ABA O O 14.104 0.208 1.917 1.00 . A A . 9 AIB O 1 1
1 89 1 1 10 ABA C C 14.088 -1.715 -0.354 1.00 . A A . 10 AIB C 1 1
1 90 1 1 10 ABA CA C 13.395 -2.370 0.859 1.00 . A A . 10 AIB CA 1 1
1 91 1 1 10 ABA H H 11.562 -1.710 1.668 1.00 . A A . 10 AIB H 1 1
1 92 1 1 10 ABA N N 12.503 -1.425 1.547 1.00 . A A . 10 AIB N 1 1
1 93 1 1 10 ABA O O 15.311 -1.796 -0.465 1.00 . A A . 10 AIB O 1 1
1 94 1 1 11 HYP C C 14.626 0.865 -2.191 1.00 . A A . 11 HYP C 1 1
1 95 1 1 11 HYP CA C 13.980 -0.487 -2.475 1.00 . A A . 11 HYP CA 1 1
1 96 1 1 11 HYP CB C 12.844 -0.318 -3.501 1.00 . A A . 11 HYP CB 1 1
1 97 1 1 11 HYP CD C 11.866 -0.883 -1.423 1.00 . A A . 11 HYP CD 1 1
1 98 1 1 11 HYP CG C 11.634 -1.033 -2.907 1.00 . A A . 11 HYP CG 1 1
1 99 1 1 11 HYP HA H 14.727 -1.152 -2.881 1.00 . A A . 11 HYP HA 1 1
1 100 1 1 11 HYP HB2 H 13.139 -0.762 -4.440 1.00 . A A . 11 HYP HB2 1 1
1 101 1 1 11 HYP HB3 H 12.645 0.734 -3.647 1.00 . A A . 11 HYP HB3 1 1
1 102 1 1 11 HYP HD1 H 10.767 -2.761 -3.233 1.00 . A A . 11 HYP HD1 1 1
1 103 1 1 11 HYP HD22 H 11.584 0.107 -1.094 1.00 . A A . 11 HYP HD22 1 1
1 104 1 1 11 HYP HD23 H 11.321 -1.636 -0.875 1.00 . A A . 11 HYP HD23 1 1
1 105 1 1 11 HYP HG H 10.749 -0.473 -3.175 1.00 . A A . 11 HYP HG 1 1
1 106 1 1 11 HYP N N 13.326 -1.085 -1.298 1.00 . A A . 11 HYP N 1 1
1 107 1 1 11 HYP O O 15.054 1.558 -3.114 1.00 . A A . 11 HYP O 1 1
1 108 1 1 11 HYP OD1 O 11.662 -2.417 -3.212 1.00 . A A . 11 HYP OD1 1 1
1 109 1 1 12 GLN C C 16.678 2.329 0.066 1.00 . A A . 12 GLN C 1 1
1 110 1 1 12 GLN CA C 15.298 2.521 -0.554 1.00 . A A . 12 GLN CA 1 1
1 111 1 1 12 GLN CB C 14.392 3.278 0.414 1.00 . A A . 12 GLN CB 1 1
1 112 1 1 12 GLN CD C 13.354 4.460 -1.563 1.00 . A A . 12 GLN CD 1 1
1 113 1 1 12 GLN CG C 13.111 3.787 -0.227 1.00 . A A . 12 GLN CG 1 1
1 114 1 1 12 GLN H H 14.340 0.658 -0.222 1.00 . A A . 12 GLN H 1 1
1 115 1 1 12 GLN HA H 15.405 3.104 -1.456 1.00 . A A . 12 GLN HA 1 1
1 116 1 1 12 GLN HB2 H 14.128 2.621 1.228 1.00 . A A . 12 GLN HB2 1 1
1 117 1 1 12 GLN HB3 H 14.933 4.125 0.808 1.00 . A A . 12 GLN HB3 1 1
1 118 1 1 12 GLN HE21 H 13.317 6.250 -0.698 1.00 . A A . 12 GLN HE21 1 1
1 119 1 1 12 GLN HE22 H 13.578 6.246 -2.406 1.00 . A A . 12 GLN HE22 1 1
1 120 1 1 12 GLN HG2 H 12.443 2.952 -0.380 1.00 . A A . 12 GLN HG2 1 1
1 121 1 1 12 GLN HG3 H 12.648 4.499 0.441 1.00 . A A . 12 GLN HG3 1 1
1 122 1 1 12 GLN N N 14.698 1.243 -0.922 1.00 . A A . 12 GLN N 1 1
1 123 1 1 12 GLN NE2 N 13.424 5.786 -1.555 1.00 . A A . 12 GLN NE2 1 1
1 124 1 1 12 GLN O O 17.488 3.273 0.067 1.00 . A A . 12 GLN O 1 1
1 125 1 1 12 GLN OE1 O 13.476 3.795 -2.592 1.00 . A A . 12 GLN OE1 1 1
1 126 1 1 13 . C C 19.386 1.403 0.426 1.00 . A A . 13 DIV C 1 1
1 127 1 1 13 . CA C 18.216 0.757 1.209 1.00 . A A . 13 DIV CA 1 1
1 128 1 1 13 . CB1 C 18.266 1.002 2.694 1.00 . A A . 13 DIV CB1 1 1
1 129 1 1 13 . CB2 C 18.447 -0.738 1.386 1.00 . A A . 13 DIV CB2 1 1
1 130 1 1 13 . CG1 C 17.946 2.443 3.063 1.00 . A A . 13 DIV CG1 1 1
1 131 1 1 13 . H H 16.225 0.416 0.529 1.00 . A A . 13 DIV H 1 1
1 132 1 1 13 . HB11 H 19.257 0.783 3.064 1.00 . A A . 13 DIV HB11 1 1
1 133 1 1 13 . HB12 H 17.553 0.368 3.202 1.00 . A A . 13 DIV HB12 1 1
1 134 1 1 13 . HB21 H 18.467 -1.221 0.420 1.00 . A A . 13 DIV HB21 1 1
1 135 1 1 13 . HB22 H 17.651 -1.163 1.980 1.00 . A A . 13 DIV HB22 1 1
1 136 1 1 13 . HB23 H 19.390 -0.904 1.885 1.00 . A A . 13 DIV HB23 1 1
1 137 1 1 13 . HG11 H 18.680 3.104 2.624 1.00 . A A . 13 DIV HG11 1 1
1 138 1 1 13 . HG12 H 17.971 2.548 4.138 1.00 . A A . 13 DIV HG12 1 1
1 139 1 1 13 . HG13 H 16.960 2.706 2.703 1.00 . A A . 13 DIV HG13 1 1
1 140 1 1 13 . N N 16.924 1.102 0.580 1.00 . A A . 13 DIV N 1 1
1 141 1 1 13 . O O 20.336 1.848 1.065 1.00 . A A . 13 DIV O 1 1
1 142 1 1 14 . C C 21.495 2.763 -0.944 1.00 . A A . 14 0AZ C 1 1
1 143 1 1 14 . CA C 20.370 2.106 -1.755 1.00 . A A . 14 0AZ CA 1 1
1 144 1 1 14 . CB C 20.904 0.900 -2.525 1.00 . A A . 14 0AZ CB 1 1
1 145 1 1 14 . CD C 18.653 0.459 -1.835 1.00 . A A . 14 0AZ CD 1 1
1 146 1 1 14 . CG C 19.641 0.159 -2.957 1.00 . A A . 14 0AZ CG 1 1
1 147 1 1 14 . HA H 19.957 2.828 -2.464 1.00 . A A . 14 0AZ HA 1 1
1 148 1 1 14 . HB2 H 21.527 0.284 -1.877 1.00 . A A . 14 0AZ HB2 1 1
1 149 1 1 14 . HB3 H 21.479 1.236 -3.376 1.00 . A A . 14 0AZ HB3 1 1
1 150 1 1 14 . HD1 H 20.251 -1.519 -2.148 1.00 . A A . 14 0AZ HD1 1 1
1 151 1 1 14 . HD22 H 17.737 0.856 -2.247 1.00 . A A . 14 0AZ HD22 1 1
1 152 1 1 14 . HD23 H 18.448 -0.445 -1.284 1.00 . A A . 14 0AZ HD23 1 1
1 153 1 1 14 . HG H 19.279 0.624 -3.863 1.00 . A A . 14 0AZ HG 1 1
1 154 1 1 14 . N N 19.310 1.476 -0.954 1.00 . A A . 14 0AZ N 1 1
1 155 1 1 14 . O O 22.663 2.369 -1.102 1.00 . A A . 14 0AZ O 1 1
1 156 1 1 14 . OD1 O 19.857 -1.242 -2.979 1.00 . A A . 14 0AZ OD1 1 1
1 157 1 1 15 ABA C C 23.226 3.518 1.229 1.00 . A A . 15 AIB C 1 1
1 158 1 1 15 ABA CA C 22.109 4.469 0.751 1.00 . A A . 15 AIB CA 1 1
1 159 1 1 15 ABA H H 20.188 4.019 -0.003 1.00 . A A . 15 AIB H 1 1
1 160 1 1 15 ABA N N 21.130 3.758 -0.084 1.00 . A A . 15 AIB N 1 1
1 161 1 1 15 ABA O O 24.307 3.512 0.641 1.00 . A A . 15 AIB O 1 1
1 162 1 1 16 PRO C C 24.773 1.137 1.554 1.00 . A A . 16 PRO C 1 1
1 163 1 1 16 PRO CA C 24.044 1.783 2.729 1.00 . A A . 16 PRO CA 1 1
1 164 1 1 16 PRO CB C 23.301 0.715 3.535 1.00 . A A . 16 PRO CB 1 1
1 165 1 1 16 PRO CD C 21.913 2.694 3.316 1.00 . A A . 16 PRO CD 1 1
1 166 1 1 16 PRO CG C 22.017 1.342 3.976 1.00 . A A . 16 PRO CG 1 1
1 167 1 1 16 PRO HA H 24.760 2.285 3.364 1.00 . A A . 16 PRO HA 1 1
1 168 1 1 16 PRO HB2 H 23.120 -0.145 2.908 1.00 . A A . 16 PRO HB2 1 1
1 169 1 1 16 PRO HB3 H 23.903 0.422 4.383 1.00 . A A . 16 PRO HB3 1 1
1 170 1 1 16 PRO HD2 H 20.945 2.810 2.852 1.00 . A A . 16 PRO HD2 1 1
1 171 1 1 16 PRO HD3 H 22.079 3.478 4.040 1.00 . A A . 16 PRO HD3 1 1
1 172 1 1 16 PRO HG2 H 21.188 0.721 3.673 1.00 . A A . 16 PRO HG2 1 1
1 173 1 1 16 PRO HG3 H 22.020 1.454 5.051 1.00 . A A . 16 PRO HG3 1 1
1 174 1 1 16 PRO N N 22.988 2.690 2.291 1.00 . A A . 16 PRO N 1 1
1 175 1 1 16 PRO O O 25.984 0.921 1.602 1.00 . A A . 16 PRO O 1 1
1 176 1 1 17 PDH C C 23.559 -0.911 -1.187 1.00 . A A . 17 PDH C 1 1
1 177 1 1 17 PDH CA C 24.612 0.178 -0.736 1.00 . A A . 17 PDH CA 1 1
1 178 1 1 17 PDH CB C 25.380 1.011 -1.727 1.00 . A A . 17 PDH CB 1 1
1 179 1 1 17 PDH CD1 C 27.289 2.090 -0.482 1.00 . A A . 17 PDH CD1 1 1
1 180 1 1 17 PDH CD2 C 27.792 0.384 -2.085 1.00 . A A . 17 PDH CD2 1 1
1 181 1 1 17 PDH CE1 C 28.641 2.231 -0.205 1.00 . A A . 17 PDH CE1 1 1
1 182 1 1 17 PDH CE2 C 29.144 0.521 -1.813 1.00 . A A . 17 PDH CE2 1 1
1 183 1 1 17 PDH CG C 26.851 1.166 -1.424 1.00 . A A . 17 PDH CG 1 1
1 184 1 1 17 PDH CZ C 29.569 1.445 -0.872 1.00 . A A . 17 PDH CZ 1 1
1 185 1 1 17 PDH H1 H 22.613 -0.717 -0.704 1.00 . A A . 17 PDH H1 1 1
1 186 1 1 17 PDH H2 H 23.914 -1.890 -0.903 1.00 . A A . 17 PDH H2 1 1
1 187 1 1 17 PDH HA H 25.447 -0.248 -0.516 1.00 . A A . 17 PDH HA 1 1
1 188 1 1 17 PDH HD1 H 26.567 2.701 0.038 1.00 . A A . 17 PDH HD1 1 1
1 189 1 1 17 PDH HD2 H 27.460 -0.336 -2.819 1.00 . A A . 17 PDH HD2 1 1
1 190 1 1 17 PDH HE1 H 28.971 2.952 0.528 1.00 . A A . 17 PDH HE1 1 1
1 191 1 1 17 PDH HE2 H 29.865 -0.092 -2.333 1.00 . A A . 17 PDH HE2 1 1
1 192 1 1 17 PDH HN H 23.063 1.023 0.523 1.00 . A A . 17 PDH HN 1 1
1 193 1 1 17 PDH HO H 22.456 -1.111 -2.794 1.00 . A A . 17 PDH HO 1 1
1 194 1 1 17 PDH HZ H 30.622 1.553 -0.658 1.00 . A A . 17 PDH HZ 1 1
1 195 1 1 17 PDH N N 24.023 0.828 0.500 1.00 . A A . 17 PDH N 1 1
1 196 1 1 17 PDH O O 23.367 -0.885 -2.591 1.00 . A A . 17 PDH O 1 1
2 197 1 1 1 ACE C C 2.352 4.815 0.204 1.00 . A A . 1 ACE C 1 1
2 198 1 1 1 ACE CH3 C 3.803 4.853 0.734 1.00 . A A . 1 ACE CH3 1 1
2 199 1 1 1 ACE H1 H 3.833 4.491 1.750 1.00 . A A . 1 ACE H1 1 1
2 200 1 1 1 ACE H2 H 4.173 5.870 0.710 1.00 . A A . 1 ACE H2 1 1
2 201 1 1 1 ACE H3 H 4.436 4.235 0.117 1.00 . A A . 1 ACE H3 1 1
2 202 1 1 1 ACE O O 2.112 5.622 1.104 1.00 . A A . 1 ACE O 1 1
2 203 1 1 2 PHE C C 2.349 2.606 2.550 1.00 . A A . 2 PHE C 1 1
2 204 1 1 2 PHE CA C 1.339 3.215 1.577 1.00 . A A . 2 PHE CA 1 1
2 205 1 1 2 PHE CB C 0.163 2.251 1.385 1.00 . A A . 2 PHE CB 1 1
2 206 1 1 2 PHE CD1 C -1.287 3.808 2.726 1.00 . A A . 2 PHE CD1 1 1
2 207 1 1 2 PHE CD2 C -2.317 2.444 1.062 1.00 . A A . 2 PHE CD2 1 1
2 208 1 1 2 PHE CE1 C -2.517 4.356 3.041 1.00 . A A . 2 PHE CE1 1 1
2 209 1 1 2 PHE CE2 C -3.548 2.988 1.374 1.00 . A A . 2 PHE CE2 1 1
2 210 1 1 2 PHE CG C -1.174 2.846 1.733 1.00 . A A . 2 PHE CG 1 1
2 211 1 1 2 PHE CZ C -3.648 3.946 2.364 1.00 . A A . 2 PHE CZ 1 1
2 212 1 1 2 PHE H H 2.729 2.929 0.351 1.00 . A A . 2 PHE H 1 1
2 213 1 1 2 PHE HA H 0.966 4.137 1.997 1.00 . A A . 2 PHE HA 1 1
2 214 1 1 2 PHE HB2 H 0.124 1.938 0.353 1.00 . A A . 2 PHE HB2 1 1
2 215 1 1 2 PHE HB3 H 0.313 1.383 2.012 1.00 . A A . 2 PHE HB3 1 1
2 216 1 1 2 PHE HD1 H -0.403 4.130 3.257 1.00 . A A . 2 PHE HD1 1 1
2 217 1 1 2 PHE HD2 H -2.241 1.696 0.288 1.00 . A A . 2 PHE HD2 1 1
2 218 1 1 2 PHE HE1 H -2.592 5.105 3.816 1.00 . A A . 2 PHE HE1 1 1
2 219 1 1 2 PHE HE2 H -4.433 2.665 0.843 1.00 . A A . 2 PHE HE2 1 1
2 220 1 1 2 PHE HZ H -4.610 4.373 2.608 1.00 . A A . 2 PHE HZ 1 1
2 221 1 1 2 PHE N N 1.955 3.530 0.282 1.00 . A A . 2 PHE N 1 1
2 222 1 1 2 PHE O O 3.511 2.375 2.171 1.00 . A A . 2 PHE O 1 1
2 223 1 1 3 ABA C C 3.026 0.288 4.545 1.00 . A A . 3 AIB C 1 1
2 224 1 1 3 ABA CA C 2.710 1.766 4.846 1.00 . A A . 3 AIB CA 1 1
2 225 1 1 3 ABA H H 0.940 2.568 3.997 1.00 . A A . 3 AIB H 1 1
2 226 1 1 3 ABA N N 1.874 2.356 3.791 1.00 . A A . 3 AIB N 1 1
2 227 1 1 3 ABA O O 2.568 -0.587 5.298 1.00 . A A . 3 AIB O 1 1
2 228 1 1 4 ABA C C 4.715 -1.334 1.591 1.00 . A A . 4 AIB C 1 1
2 229 1 1 4 ABA CA C 4.175 -1.317 3.034 1.00 . A A . 4 AIB CA 1 1
2 230 1 1 4 ABA H H 4.132 0.784 2.884 1.00 . A A . 4 AIB H 1 1
2 231 1 1 4 ABA N N 3.801 0.044 3.443 1.00 . A A . 4 AIB N 1 1
2 232 1 1 4 ABA O O 5.456 -2.271 1.256 1.00 . A A . 4 AIB O 1 1
2 233 1 1 5 ABA C C 5.827 -1.233 -0.976 1.00 . A A . 5 AIB C 1 1
2 234 1 1 5 ABA CA C 4.757 -0.179 -0.624 1.00 . A A . 5 AIB CA 1 1
2 235 1 1 5 ABA H H 3.728 0.418 1.110 1.00 . A A . 5 AIB H 1 1
2 236 1 1 5 ABA N N 4.324 -0.296 0.778 1.00 . A A . 5 AIB N 1 1
2 237 1 1 5 ABA O O 7.025 -0.921 -0.881 1.00 . A A . 5 AIB O 1 1
2 238 1 1 6 . C C 7.614 -3.440 -0.971 1.00 . A A . 6 DIV C 1 1
2 239 1 1 6 . CA C 6.281 -3.559 -1.749 1.00 . A A . 6 DIV CA 1 1
2 240 1 1 6 . CB1 C 5.645 -4.917 -1.711 1.00 . A A . 6 DIV CB1 1 1
2 241 1 1 6 . CB2 C 6.538 -3.657 -3.247 1.00 . A A . 6 DIV CB2 1 1
2 242 1 1 6 . CG1 C 5.256 -5.358 -0.309 1.00 . A A . 6 DIV CG1 1 1
2 243 1 1 6 . H H 4.403 -2.652 -1.434 1.00 . A A . 6 DIV H 1 1
2 244 1 1 6 . HB11 H 6.332 -5.654 -2.105 1.00 . A A . 6 DIV HB11 1 1
2 245 1 1 6 . HB12 H 4.748 -4.913 -2.314 1.00 . A A . 6 DIV HB12 1 1
2 246 1 1 6 . HB21 H 7.200 -4.484 -3.451 1.00 . A A . 6 DIV HB21 1 1
2 247 1 1 6 . HB22 H 6.993 -2.742 -3.599 1.00 . A A . 6 DIV HB22 1 1
2 248 1 1 6 . HB23 H 5.605 -3.812 -3.768 1.00 . A A . 6 DIV HB23 1 1
2 249 1 1 6 . HG11 H 4.726 -6.297 -0.367 1.00 . A A . 6 DIV HG11 1 1
2 250 1 1 6 . HG12 H 4.617 -4.616 0.152 1.00 . A A . 6 DIV HG12 1 1
2 251 1 1 6 . HG13 H 6.147 -5.487 0.286 1.00 . A A . 6 DIV HG13 1 1
2 252 1 1 6 . N N 5.367 -2.461 -1.378 1.00 . A A . 6 DIV N 1 1
2 253 1 1 6 . O O 8.665 -3.202 -1.567 1.00 . A A . 6 DIV O 1 1
2 254 1 1 7 GLY C C 9.228 -2.090 1.377 1.00 . A A . 7 GLY C 1 1
2 255 1 1 7 GLY CA C 8.761 -3.519 1.166 1.00 . A A . 7 GLY CA 1 1
2 256 1 1 7 GLY H H 6.692 -3.805 0.814 1.00 . A A . 7 GLY H 1 1
2 257 1 1 7 GLY HA2 H 9.548 -4.071 0.672 1.00 . A A . 7 GLY HA2 1 1
2 258 1 1 7 GLY HA3 H 8.576 -3.966 2.129 1.00 . A A . 7 GLY HA3 1 1
2 259 1 1 7 GLY N N 7.553 -3.611 0.366 1.00 . A A . 7 GLY N 1 1
2 260 1 1 7 GLY O O 10.408 -1.855 1.637 1.00 . A A . 7 GLY O 1 1
2 261 1 1 8 LEU C C 10.037 0.583 0.971 1.00 . A A . 8 LEU C 1 1
2 262 1 1 8 LEU CA C 8.625 0.274 1.456 1.00 . A A . 8 LEU CA 1 1
2 263 1 1 8 LEU CB C 8.478 0.667 2.928 1.00 . A A . 8 LEU CB 1 1
2 264 1 1 8 LEU CD1 C 10.542 0.642 4.347 1.00 . A A . 8 LEU CD1 1 1
2 265 1 1 8 LEU CD2 C 8.485 -0.562 5.112 1.00 . A A . 8 LEU CD2 1 1
2 266 1 1 8 LEU CG C 9.321 -0.150 3.909 1.00 . A A . 8 LEU CG 1 1
2 267 1 1 8 LEU H H 7.380 -1.387 1.065 1.00 . A A . 8 LEU H 1 1
2 268 1 1 8 LEU HA H 7.924 0.849 0.871 1.00 . A A . 8 LEU HA 1 1
2 269 1 1 8 LEU HB2 H 8.755 1.706 3.028 1.00 . A A . 8 LEU HB2 1 1
2 270 1 1 8 LEU HB3 H 7.440 0.560 3.207 1.00 . A A . 8 LEU HB3 1 1
2 271 1 1 8 LEU HD11 H 10.630 1.533 3.743 1.00 . A A . 8 LEU HD11 1 1
2 272 1 1 8 LEU HD12 H 10.436 0.921 5.385 1.00 . A A . 8 LEU HD12 1 1
2 273 1 1 8 LEU HD13 H 11.427 0.036 4.226 1.00 . A A . 8 LEU HD13 1 1
2 274 1 1 8 LEU HD21 H 7.981 0.305 5.514 1.00 . A A . 8 LEU HD21 1 1
2 275 1 1 8 LEU HD22 H 7.753 -1.295 4.807 1.00 . A A . 8 LEU HD22 1 1
2 276 1 1 8 LEU HD23 H 9.127 -0.987 5.868 1.00 . A A . 8 LEU HD23 1 1
2 277 1 1 8 LEU HG H 9.666 -1.047 3.419 1.00 . A A . 8 LEU HG 1 1
2 278 1 1 8 LEU N N 8.302 -1.136 1.271 1.00 . A A . 8 LEU N 1 1
2 279 1 1 8 LEU O O 10.963 0.683 1.793 1.00 . A A . 8 LEU O 1 1
2 280 1 1 9 ABA C C 12.455 -0.132 -0.828 1.00 . A A . 9 AIB C 1 1
2 281 1 1 9 ABA CA C 11.460 1.032 -1.000 1.00 . A A . 9 AIB CA 1 1
2 282 1 1 9 ABA H H 9.377 0.633 -0.938 1.00 . A A . 9 AIB H 1 1
2 283 1 1 9 ABA N N 10.169 0.729 -0.367 1.00 . A A . 9 AIB N 1 1
2 284 1 1 9 ABA O O 13.670 0.106 -0.929 1.00 . A A . 9 AIB O 1 1
2 285 1 1 10 ABA C C 13.883 -2.620 -1.439 1.00 . A A . 10 AIB C 1 1
2 286 1 1 10 ABA CA C 12.754 -2.562 -0.389 1.00 . A A . 10 AIB CA 1 1
2 287 1 1 10 ABA H H 10.941 -1.499 -0.502 1.00 . A A . 10 AIB H 1 1
2 288 1 1 10 ABA N N 11.917 -1.368 -0.573 1.00 . A A . 10 AIB N 1 1
2 289 1 1 10 ABA O O 15.036 -2.855 -1.078 1.00 . A A . 10 AIB O 1 1
2 290 1 1 11 HYP C C 15.588 -1.266 -3.669 1.00 . A A . 11 HYP C 1 1
2 291 1 1 11 HYP CA C 14.648 -2.464 -3.761 1.00 . A A . 11 HYP CA 1 1
2 292 1 1 11 HYP CB C 13.915 -2.459 -5.114 1.00 . A A . 11 HYP CB 1 1
2 293 1 1 11 HYP CD C 12.283 -2.146 -3.435 1.00 . A A . 11 HYP CD 1 1
2 294 1 1 11 HYP CG C 12.461 -2.779 -4.794 1.00 . A A . 11 HYP CG 1 1
2 295 1 1 11 HYP HA H 15.224 -3.372 -3.670 1.00 . A A . 11 HYP HA 1 1
2 296 1 1 11 HYP HB2 H 14.348 -3.207 -5.760 1.00 . A A . 11 HYP HB2 1 1
2 297 1 1 11 HYP HB3 H 14.010 -1.486 -5.572 1.00 . A A . 11 HYP HB3 1 1
2 298 1 1 11 HYP HD1 H 11.456 -4.427 -5.103 1.00 . A A . 11 HYP HD1 1 1
2 299 1 1 11 HYP HD22 H 12.109 -1.086 -3.533 1.00 . A A . 11 HYP HD22 1 1
2 300 1 1 11 HYP HD23 H 11.468 -2.616 -2.904 1.00 . A A . 11 HYP HD23 1 1
2 301 1 1 11 HYP HG H 11.838 -2.251 -5.502 1.00 . A A . 11 HYP HG 1 1
2 302 1 1 11 HYP N N 13.576 -2.409 -2.754 1.00 . A A . 11 HYP N 1 1
2 303 1 1 11 HYP O O 16.635 -1.235 -4.314 1.00 . A A . 11 HYP O 1 1
2 304 1 1 11 HYP OD1 O 12.265 -4.176 -4.653 1.00 . A A . 11 HYP OD1 1 1
2 305 1 1 12 GLN C C 16.784 0.881 -1.373 1.00 . A A . 12 GLN C 1 1
2 306 1 1 12 GLN CA C 16.010 0.922 -2.689 1.00 . A A . 12 GLN CA 1 1
2 307 1 1 12 GLN CB C 15.118 2.166 -2.730 1.00 . A A . 12 GLN CB 1 1
2 308 1 1 12 GLN CD C 15.683 2.888 -5.088 1.00 . A A . 12 GLN CD 1 1
2 309 1 1 12 GLN CG C 14.586 2.492 -4.119 1.00 . A A . 12 GLN CG 1 1
2 310 1 1 12 GLN H H 14.357 -0.364 -2.377 1.00 . A A . 12 GLN H 1 1
2 311 1 1 12 GLN HA H 16.715 0.969 -3.505 1.00 . A A . 12 GLN HA 1 1
2 312 1 1 12 GLN HB2 H 14.273 2.011 -2.074 1.00 . A A . 12 GLN HB2 1 1
2 313 1 1 12 GLN HB3 H 15.686 3.014 -2.377 1.00 . A A . 12 GLN HB3 1 1
2 314 1 1 12 GLN HE21 H 14.333 3.275 -6.493 1.00 . A A . 12 GLN HE21 1 1
2 315 1 1 12 GLN HE22 H 15.980 3.530 -6.945 1.00 . A A . 12 GLN HE22 1 1
2 316 1 1 12 GLN HG2 H 14.078 1.624 -4.510 1.00 . A A . 12 GLN HG2 1 1
2 317 1 1 12 GLN HG3 H 13.887 3.311 -4.039 1.00 . A A . 12 GLN HG3 1 1
2 318 1 1 12 GLN N N 15.204 -0.281 -2.863 1.00 . A A . 12 GLN N 1 1
2 319 1 1 12 GLN NE2 N 15.292 3.269 -6.298 1.00 . A A . 12 GLN NE2 1 1
2 320 1 1 12 GLN O O 17.197 1.937 -0.868 1.00 . A A . 12 GLN O 1 1
2 321 1 1 12 GLN OE1 O 16.867 2.851 -4.753 1.00 . A A . 12 GLN OE1 1 1
2 322 1 1 13 . C C 18.951 0.325 0.487 1.00 . A A . 13 DIV C 1 1
2 323 1 1 13 . CA C 17.687 -0.567 0.424 1.00 . A A . 13 DIV CA 1 1
2 324 1 1 13 . CB1 C 16.823 -0.454 1.651 1.00 . A A . 13 DIV CB1 1 1
2 325 1 1 13 . CB2 C 18.014 -2.029 0.710 1.00 . A A . 13 DIV CB2 1 1
2 326 1 1 13 . CG1 C 16.133 0.896 1.767 1.00 . A A . 13 DIV CG1 1 1
2 327 1 1 13 . H H 16.598 -1.129 -1.315 1.00 . A A . 13 DIV H 1 1
2 328 1 1 13 . HB11 H 17.429 -0.590 2.534 1.00 . A A . 13 DIV HB11 1 1
2 329 1 1 13 . HB12 H 16.054 -1.213 1.630 1.00 . A A . 13 DIV HB12 1 1
2 330 1 1 13 . HB21 H 17.105 -2.584 0.896 1.00 . A A . 13 DIV HB21 1 1
2 331 1 1 13 . HB22 H 18.657 -2.098 1.575 1.00 . A A . 13 DIV HB22 1 1
2 332 1 1 13 . HB23 H 18.518 -2.463 -0.139 1.00 . A A . 13 DIV HB23 1 1
2 333 1 1 13 . HG11 H 15.493 1.055 0.910 1.00 . A A . 13 DIV HG11 1 1
2 334 1 1 13 . HG12 H 16.874 1.684 1.815 1.00 . A A . 13 DIV HG12 1 1
2 335 1 1 13 . HG13 H 15.535 0.914 2.666 1.00 . A A . 13 DIV HG13 1 1
2 336 1 1 13 . N N 16.961 -0.352 -0.845 1.00 . A A . 13 DIV N 1 1
2 337 1 1 13 . O O 19.145 0.985 1.504 1.00 . A A . 13 DIV O 1 1
2 338 1 1 14 . C C 21.207 2.068 0.650 1.00 . A A . 14 0AZ C 1 1
2 339 1 1 14 . CA C 21.011 1.195 -0.600 1.00 . A A . 14 0AZ CA 1 1
2 340 1 1 14 . CB C 22.096 0.121 -0.670 1.00 . A A . 14 0AZ CB 1 1
2 341 1 1 14 . CD C 20.044 -0.703 -1.617 1.00 . A A . 14 0AZ CD 1 1
2 342 1 1 14 . CG C 21.558 -0.888 -1.685 1.00 . A A . 14 0AZ CG 1 1
2 343 1 1 14 . HA H 21.065 1.814 -1.501 1.00 . A A . 14 0AZ HA 1 1
2 344 1 1 14 . HB2 H 22.236 -0.337 0.310 1.00 . A A . 14 0AZ HB2 1 1
2 345 1 1 14 . HB3 H 23.023 0.562 -1.004 1.00 . A A . 14 0AZ HB3 1 1
2 346 1 1 14 . HD1 H 22.314 -2.687 -1.974 1.00 . A A . 14 0AZ HD1 1 1
2 347 1 1 14 . HD22 H 19.669 -0.389 -2.580 1.00 . A A . 14 0AZ HD22 1 1
2 348 1 1 14 . HD23 H 19.578 -1.627 -1.324 1.00 . A A . 14 0AZ HD23 1 1
2 349 1 1 14 . HG H 21.893 -0.581 -2.664 1.00 . A A . 14 0AZ HG 1 1
2 350 1 1 14 . N N 19.807 0.357 -0.596 1.00 . A A . 14 0AZ N 1 1
2 351 1 1 14 . O O 22.203 1.869 1.362 1.00 . A A . 14 0AZ O 1 1
2 352 1 1 14 . OD1 O 21.846 -2.216 -1.279 1.00 . A A . 14 0AZ OD1 1 1
2 353 1 1 15 ABA C C 21.715 3.920 2.702 1.00 . A A . 15 AIB C 1 1
2 354 1 1 15 ABA CA C 20.315 3.929 2.052 1.00 . A A . 15 AIB CA 1 1
2 355 1 1 15 ABA H H 19.483 3.123 0.292 1.00 . A A . 15 AIB H 1 1
2 356 1 1 15 ABA N N 20.252 3.021 0.894 1.00 . A A . 15 AIB N 1 1
2 357 1 1 15 ABA O O 22.504 4.831 2.455 1.00 . A A . 15 AIB O 1 1
2 358 1 1 16 PRO C C 24.477 3.363 3.218 1.00 . A A . 16 PRO C 1 1
2 359 1 1 16 PRO CA C 23.380 2.890 4.171 1.00 . A A . 16 PRO CA 1 1
2 360 1 1 16 PRO CB C 23.605 1.427 4.544 1.00 . A A . 16 PRO CB 1 1
2 361 1 1 16 PRO CD C 21.295 1.663 3.958 1.00 . A A . 16 PRO CD 1 1
2 362 1 1 16 PRO CG C 22.249 0.906 4.842 1.00 . A A . 16 PRO CG 1 1
2 363 1 1 16 PRO HA H 23.398 3.497 5.062 1.00 . A A . 16 PRO HA 1 1
2 364 1 1 16 PRO HB2 H 24.058 0.905 3.712 1.00 . A A . 16 PRO HB2 1 1
2 365 1 1 16 PRO HB3 H 24.249 1.367 5.411 1.00 . A A . 16 PRO HB3 1 1
2 366 1 1 16 PRO HD2 H 21.034 1.070 3.093 1.00 . A A . 16 PRO HD2 1 1
2 367 1 1 16 PRO HD3 H 20.406 1.922 4.516 1.00 . A A . 16 PRO HD3 1 1
2 368 1 1 16 PRO HG2 H 22.204 -0.149 4.619 1.00 . A A . 16 PRO HG2 1 1
2 369 1 1 16 PRO HG3 H 22.011 1.080 5.881 1.00 . A A . 16 PRO HG3 1 1
2 370 1 1 16 PRO N N 22.048 2.894 3.548 1.00 . A A . 16 PRO N 1 1
2 371 1 1 16 PRO O O 25.437 4.011 3.636 1.00 . A A . 16 PRO O 1 1
2 372 1 1 17 PDH C C 26.075 2.102 0.459 1.00 . A A . 17 PDH C 1 1
2 373 1 1 17 PDH CA C 25.353 3.440 0.891 1.00 . A A . 17 PDH CA 1 1
2 374 1 1 17 PDH CB C 25.018 4.526 -0.093 1.00 . A A . 17 PDH CB 1 1
2 375 1 1 17 PDH CD1 C 25.200 6.355 1.630 1.00 . A A . 17 PDH CD1 1 1
2 376 1 1 17 PDH CD2 C 26.038 6.779 -0.572 1.00 . A A . 17 PDH CD2 1 1
2 377 1 1 17 PDH CE1 C 25.578 7.630 2.023 1.00 . A A . 17 PDH CE1 1 1
2 378 1 1 17 PDH CE2 C 26.417 8.055 -0.186 1.00 . A A . 17 PDH CE2 1 1
2 379 1 1 17 PDH CG C 25.425 5.916 0.330 1.00 . A A . 17 PDH CG 1 1
2 380 1 1 17 PDH CZ C 26.186 8.481 1.114 1.00 . A A . 17 PDH CZ 1 1
2 381 1 1 17 PDH H1 H 25.507 1.626 -0.327 1.00 . A A . 17 PDH H1 1 1
2 382 1 1 17 PDH H2 H 26.142 1.438 1.309 1.00 . A A . 17 PDH H2 1 1
2 383 1 1 17 PDH HA H 25.993 4.045 1.278 1.00 . A A . 17 PDH HA 1 1
2 384 1 1 17 PDH HD1 H 24.725 5.694 2.339 1.00 . A A . 17 PDH HD1 1 1
2 385 1 1 17 PDH HD2 H 26.217 6.446 -1.584 1.00 . A A . 17 PDH HD2 1 1
2 386 1 1 17 PDH HE1 H 25.397 7.961 3.036 1.00 . A A . 17 PDH HE1 1 1
2 387 1 1 17 PDH HE2 H 26.892 8.716 -0.896 1.00 . A A . 17 PDH HE2 1 1
2 388 1 1 17 PDH HN H 23.546 2.516 1.660 1.00 . A A . 17 PDH HN 1 1
2 389 1 1 17 PDH HO H 27.387 3.174 -0.528 1.00 . A A . 17 PDH HO 1 1
2 390 1 1 17 PDH HZ H 26.482 9.474 1.418 1.00 . A A . 17 PDH HZ 1 1
2 391 1 1 17 PDH N N 24.332 3.035 1.937 1.00 . A A . 17 PDH N 1 1
2 392 1 1 17 PDH O O 27.385 2.360 -0.020 1.00 . A A . 17 PDH O 1 1
3 393 1 1 1 ACE C C 1.466 4.852 0.594 1.00 . A A . 1 ACE C 1 1
3 394 1 1 1 ACE CH3 C 2.324 5.064 1.861 1.00 . A A . 1 ACE CH3 1 1
3 395 1 1 1 ACE H1 H 3.371 5.047 1.603 1.00 . A A . 1 ACE H1 1 1
3 396 1 1 1 ACE H2 H 2.121 4.282 2.578 1.00 . A A . 1 ACE H2 1 1
3 397 1 1 1 ACE H3 H 2.085 6.022 2.306 1.00 . A A . 1 ACE H3 1 1
3 398 1 1 1 ACE O O 0.506 4.864 1.365 1.00 . A A . 1 ACE O 1 1
3 399 1 1 2 PHE C C 2.025 1.752 1.547 1.00 . A A . 2 PHE C 1 1
3 400 1 1 2 PHE CA C 1.195 2.525 0.522 1.00 . A A . 2 PHE CA 1 1
3 401 1 1 2 PHE CB C 0.826 1.605 -0.642 1.00 . A A . 2 PHE CB 1 1
3 402 1 1 2 PHE CD1 C -1.523 1.065 -1.337 1.00 . A A . 2 PHE CD1 1 1
3 403 1 1 2 PHE CD2 C -0.642 3.211 -1.894 1.00 . A A . 2 PHE CD2 1 1
3 404 1 1 2 PHE CE1 C -2.718 1.394 -1.947 1.00 . A A . 2 PHE CE1 1 1
3 405 1 1 2 PHE CE2 C -1.837 3.546 -2.505 1.00 . A A . 2 PHE CE2 1 1
3 406 1 1 2 PHE CG C -0.472 1.968 -1.305 1.00 . A A . 2 PHE CG 1 1
3 407 1 1 2 PHE CZ C -2.876 2.636 -2.531 1.00 . A A . 2 PHE CZ 1 1
3 408 1 1 2 PHE H H 2.801 3.479 0.353 1.00 . A A . 2 PHE H 1 1
3 409 1 1 2 PHE HA H 0.286 2.858 0.998 1.00 . A A . 2 PHE HA 1 1
3 410 1 1 2 PHE HB2 H 1.605 1.648 -1.390 1.00 . A A . 2 PHE HB2 1 1
3 411 1 1 2 PHE HB3 H 0.742 0.591 -0.277 1.00 . A A . 2 PHE HB3 1 1
3 412 1 1 2 PHE HD1 H -1.401 0.093 -0.881 1.00 . A A . 2 PHE HD1 1 1
3 413 1 1 2 PHE HD2 H 0.170 3.923 -1.875 1.00 . A A . 2 PHE HD2 1 1
3 414 1 1 2 PHE HE1 H -3.530 0.681 -1.965 1.00 . A A . 2 PHE HE1 1 1
3 415 1 1 2 PHE HE2 H -1.958 4.517 -2.960 1.00 . A A . 2 PHE HE2 1 1
3 416 1 1 2 PHE HZ H -3.810 2.895 -3.007 1.00 . A A . 2 PHE HZ 1 1
3 417 1 1 2 PHE N N 1.904 3.712 0.025 1.00 . A A . 2 PHE N 1 1
3 418 1 1 2 PHE O O 3.200 1.443 1.281 1.00 . A A . 2 PHE O 1 1
3 419 1 1 3 ABA C C 2.377 -0.731 3.354 1.00 . A A . 3 AIB C 1 1
3 420 1 1 3 ABA CA C 2.041 0.709 3.788 1.00 . A A . 3 AIB CA 1 1
3 421 1 1 3 ABA H H 0.458 1.736 2.820 1.00 . A A . 3 AIB H 1 1
3 422 1 1 3 ABA N N 1.388 1.451 2.701 1.00 . A A . 3 AIB N 1 1
3 423 1 1 3 ABA O O 1.895 -1.675 4.003 1.00 . A A . 3 AIB O 1 1
3 424 1 1 4 ABA C C 4.486 -2.045 0.496 1.00 . A A . 4 AIB C 1 1
3 425 1 1 4 ABA CA C 3.595 -2.183 1.747 1.00 . A A . 4 AIB CA 1 1
3 426 1 1 4 ABA H H 3.544 -0.073 1.798 1.00 . A A . 4 AIB H 1 1
3 427 1 1 4 ABA N N 3.196 -0.867 2.266 1.00 . A A . 4 AIB N 1 1
3 428 1 1 4 ABA O O 5.295 -2.953 0.245 1.00 . A A . 4 AIB O 1 1
3 429 1 1 5 ABA C C 6.408 -1.458 -1.492 1.00 . A A . 5 AIB C 1 1
3 430 1 1 5 ABA CA C 5.090 -0.655 -1.482 1.00 . A A . 5 AIB CA 1 1
3 431 1 1 5 ABA H H 3.648 -0.228 -0.015 1.00 . A A . 5 AIB H 1 1
3 432 1 1 5 ABA N N 4.312 -0.914 -0.262 1.00 . A A . 5 AIB N 1 1
3 433 1 1 5 ABA O O 7.440 -0.910 -1.073 1.00 . A A . 5 AIB O 1 1
3 434 1 1 6 . C C 8.503 -3.307 -0.891 1.00 . A A . 6 DIV C 1 1
3 435 1 1 6 . CA C 7.529 -3.614 -2.054 1.00 . A A . 6 DIV CA 1 1
3 436 1 1 6 . CB1 C 7.208 -5.086 -2.216 1.00 . A A . 6 DIV CB1 1 1
3 437 1 1 6 . CB2 C 8.258 -3.529 -3.388 1.00 . A A . 6 DIV CB2 1 1
3 438 1 1 6 . CG1 C 6.009 -5.344 -3.115 1.00 . A A . 6 DIV CG1 1 1
3 439 1 1 6 . H H 5.492 -3.119 -2.302 1.00 . A A . 6 DIV H 1 1
3 440 1 1 6 . HB11 H 6.979 -5.508 -1.249 1.00 . A A . 6 DIV HB11 1 1
3 441 1 1 6 . HB12 H 8.056 -5.616 -2.633 1.00 . A A . 6 DIV HB12 1 1
3 442 1 1 6 . HB21 H 7.576 -3.746 -4.194 1.00 . A A . 6 DIV HB21 1 1
3 443 1 1 6 . HB22 H 9.069 -4.243 -3.407 1.00 . A A . 6 DIV HB22 1 1
3 444 1 1 6 . HB23 H 8.658 -2.535 -3.522 1.00 . A A . 6 DIV HB23 1 1
3 445 1 1 6 . HG11 H 5.127 -4.906 -2.673 1.00 . A A . 6 DIV HG11 1 1
3 446 1 1 6 . HG12 H 5.866 -6.409 -3.219 1.00 . A A . 6 DIV HG12 1 1
3 447 1 1 6 . HG13 H 6.177 -4.911 -4.091 1.00 . A A . 6 DIV HG13 1 1
3 448 1 1 6 . N N 6.342 -2.738 -1.978 1.00 . A A . 6 DIV N 1 1
3 449 1 1 6 . O O 9.601 -2.796 -1.116 1.00 . A A . 6 DIV O 1 1
3 450 1 1 7 GLY C C 9.022 -1.914 1.872 1.00 . A A . 7 GLY C 1 1
3 451 1 1 7 GLY CA C 8.952 -3.381 1.491 1.00 . A A . 7 GLY CA 1 1
3 452 1 1 7 GLY H H 7.204 -4.045 0.497 1.00 . A A . 7 GLY H 1 1
3 453 1 1 7 GLY HA2 H 9.947 -3.727 1.254 1.00 . A A . 7 GLY HA2 1 1
3 454 1 1 7 GLY HA3 H 8.582 -3.940 2.335 1.00 . A A . 7 GLY HA3 1 1
3 455 1 1 7 GLY N N 8.088 -3.631 0.350 1.00 . A A . 7 GLY N 1 1
3 456 1 1 7 GLY O O 10.019 -1.468 2.440 1.00 . A A . 7 GLY O 1 1
3 457 1 1 8 LEU C C 9.295 0.895 1.819 1.00 . A A . 8 LEU C 1 1
3 458 1 1 8 LEU CA C 7.909 0.261 1.885 1.00 . A A . 8 LEU CA 1 1
3 459 1 1 8 LEU CB C 7.299 0.480 3.274 1.00 . A A . 8 LEU CB 1 1
3 460 1 1 8 LEU CD1 C 8.652 0.519 5.387 1.00 . A A . 8 LEU CD1 1 1
3 461 1 1 8 LEU CD2 C 6.812 -1.153 5.113 1.00 . A A . 8 LEU CD2 1 1
3 462 1 1 8 LEU CG C 7.901 -0.363 4.401 1.00 . A A . 8 LEU CG 1 1
3 463 1 1 8 LEU H H 7.199 -1.579 1.116 1.00 . A A . 8 LEU H 1 1
3 464 1 1 8 LEU HA H 7.278 0.737 1.149 1.00 . A A . 8 LEU HA 1 1
3 465 1 1 8 LEU HB2 H 7.417 1.522 3.534 1.00 . A A . 8 LEU HB2 1 1
3 466 1 1 8 LEU HB3 H 6.244 0.260 3.218 1.00 . A A . 8 LEU HB3 1 1
3 467 1 1 8 LEU HD11 H 8.013 1.330 5.702 1.00 . A A . 8 LEU HD11 1 1
3 468 1 1 8 LEU HD12 H 8.941 -0.066 6.247 1.00 . A A . 8 LEU HD12 1 1
3 469 1 1 8 LEU HD13 H 9.535 0.920 4.911 1.00 . A A . 8 LEU HD13 1 1
3 470 1 1 8 LEU HD21 H 5.874 -0.626 5.031 1.00 . A A . 8 LEU HD21 1 1
3 471 1 1 8 LEU HD22 H 6.718 -2.128 4.657 1.00 . A A . 8 LEU HD22 1 1
3 472 1 1 8 LEU HD23 H 7.071 -1.267 6.155 1.00 . A A . 8 LEU HD23 1 1
3 473 1 1 8 LEU HG H 8.605 -1.066 3.982 1.00 . A A . 8 LEU HG 1 1
3 474 1 1 8 LEU N N 7.964 -1.164 1.566 1.00 . A A . 8 LEU N 1 1
3 475 1 1 8 LEU O O 9.983 0.985 2.850 1.00 . A A . 8 LEU O 1 1
3 476 1 1 9 ABA C C 12.132 0.966 0.586 1.00 . A A . 9 AIB C 1 1
3 477 1 1 9 ABA CA C 10.976 1.959 0.352 1.00 . A A . 9 AIB CA 1 1
3 478 1 1 9 ABA H H 9.059 1.210 -0.162 1.00 . A A . 9 AIB H 1 1
3 479 1 1 9 ABA N N 9.673 1.325 0.593 1.00 . A A . 9 AIB N 1 1
3 480 1 1 9 ABA O O 13.295 1.401 0.601 1.00 . A A . 9 AIB O 1 1
3 481 1 1 10 ABA C C 13.945 -1.299 -0.018 1.00 . A A . 10 AIB C 1 1
3 482 1 1 10 ABA CA C 12.790 -1.396 0.998 1.00 . A A . 10 AIB CA 1 1
3 483 1 1 10 ABA H H 10.842 -0.637 0.745 1.00 . A A . 10 AIB H 1 1
3 484 1 1 10 ABA N N 11.787 -0.348 0.765 1.00 . A A . 10 AIB N 1 1
3 485 1 1 10 ABA O O 15.110 -1.347 0.377 1.00 . A A . 10 AIB O 1 1
3 486 1 1 11 HYP C C 15.464 0.267 -2.292 1.00 . A A . 11 HYP C 1 1
3 487 1 1 11 HYP CA C 14.742 -1.079 -2.331 1.00 . A A . 11 HYP CA 1 1
3 488 1 1 11 HYP CB C 14.054 -1.266 -3.694 1.00 . A A . 11 HYP CB 1 1
3 489 1 1 11 HYP CD C 12.349 -1.196 -2.066 1.00 . A A . 11 HYP CD 1 1
3 490 1 1 11 HYP CG C 12.683 -1.853 -3.383 1.00 . A A . 11 HYP CG 1 1
3 491 1 1 11 HYP HA H 15.462 -1.869 -2.183 1.00 . A A . 11 HYP HA 1 1
3 492 1 1 11 HYP HB2 H 14.641 -1.937 -4.304 1.00 . A A . 11 HYP HB2 1 1
3 493 1 1 11 HYP HB3 H 13.968 -0.309 -4.187 1.00 . A A . 11 HYP HB3 1 1
3 494 1 1 11 HYP HD1 H 12.173 -3.694 -3.780 1.00 . A A . 11 HYP HD1 1 1
3 495 1 1 11 HYP HD22 H 11.978 -0.195 -2.229 1.00 . A A . 11 HYP HD22 1 1
3 496 1 1 11 HYP HD23 H 11.622 -1.784 -1.524 1.00 . A A . 11 HYP HD23 1 1
3 497 1 1 11 HYP HG H 11.990 -1.498 -4.130 1.00 . A A . 11 HYP HG 1 1
3 498 1 1 11 HYP N N 13.647 -1.166 -1.346 1.00 . A A . 11 HYP N 1 1
3 499 1 1 11 HYP O O 16.509 0.436 -2.920 1.00 . A A . 11 HYP O 1 1
3 500 1 1 11 HYP OD1 O 12.763 -3.252 -3.164 1.00 . A A . 11 HYP OD1 1 1
3 501 1 1 12 GLN C C 16.655 2.570 -0.458 1.00 . A A . 12 GLN C 1 1
3 502 1 1 12 GLN CA C 15.503 2.553 -1.460 1.00 . A A . 12 GLN CA 1 1
3 503 1 1 12 GLN CB C 14.453 3.597 -1.064 1.00 . A A . 12 GLN CB 1 1
3 504 1 1 12 GLN CD C 14.965 4.799 -3.225 1.00 . A A . 12 GLN CD 1 1
3 505 1 1 12 GLN CG C 13.889 4.370 -2.244 1.00 . A A . 12 GLN CG 1 1
3 506 1 1 12 GLN H H 14.066 1.035 -1.087 1.00 . A A . 12 GLN H 1 1
3 507 1 1 12 GLN HA H 15.895 2.805 -2.433 1.00 . A A . 12 GLN HA 1 1
3 508 1 1 12 GLN HB2 H 13.634 3.105 -0.561 1.00 . A A . 12 GLN HB2 1 1
3 509 1 1 12 GLN HB3 H 14.906 4.304 -0.384 1.00 . A A . 12 GLN HB3 1 1
3 510 1 1 12 GLN HE21 H 13.625 4.926 -4.689 1.00 . A A . 12 GLN HE21 1 1
3 511 1 1 12 GLN HE22 H 15.251 5.314 -5.123 1.00 . A A . 12 GLN HE22 1 1
3 512 1 1 12 GLN HG2 H 13.178 3.743 -2.762 1.00 . A A . 12 GLN HG2 1 1
3 513 1 1 12 GLN HG3 H 13.387 5.253 -1.873 1.00 . A A . 12 GLN HG3 1 1
3 514 1 1 12 GLN N N 14.902 1.223 -1.561 1.00 . A A . 12 GLN N 1 1
3 515 1 1 12 GLN NE2 N 14.574 5.038 -4.471 1.00 . A A . 12 GLN NE2 1 1
3 516 1 1 12 GLN O O 17.716 3.148 -0.750 1.00 . A A . 12 GLN O 1 1
3 517 1 1 12 GLN OE1 O 16.136 4.918 -2.863 1.00 . A A . 12 GLN OE1 1 1
3 518 1 1 13 . C C 18.851 1.731 1.192 1.00 . A A . 13 DIV C 1 1
3 519 1 1 13 . CA C 17.428 1.868 1.791 1.00 . A A . 13 DIV CA 1 1
3 520 1 1 13 . CB1 C 17.293 2.960 2.818 1.00 . A A . 13 DIV CB1 1 1
3 521 1 1 13 . CB2 C 17.198 0.771 2.820 1.00 . A A . 13 DIV CB2 1 1
3 522 1 1 13 . CG1 C 17.203 4.343 2.192 1.00 . A A . 13 DIV CG1 1 1
3 523 1 1 13 . H H 15.545 1.513 0.854 1.00 . A A . 13 DIV H 1 1
3 524 1 1 13 . HB11 H 18.152 2.952 3.473 1.00 . A A . 13 DIV HB11 1 1
3 525 1 1 13 . HB12 H 16.399 2.812 3.407 1.00 . A A . 13 DIV HB12 1 1
3 526 1 1 13 . HB21 H 16.207 0.865 3.238 1.00 . A A . 13 DIV HB21 1 1
3 527 1 1 13 . HB22 H 17.928 0.855 3.612 1.00 . A A . 13 DIV HB22 1 1
3 528 1 1 13 . HB23 H 17.295 -0.197 2.350 1.00 . A A . 13 DIV HB23 1 1
3 529 1 1 13 . HG11 H 18.085 4.537 1.593 1.00 . A A . 13 DIV HG11 1 1
3 530 1 1 13 . HG12 H 17.136 5.084 2.975 1.00 . A A . 13 DIV HG12 1 1
3 531 1 1 13 . HG13 H 16.322 4.405 1.567 1.00 . A A . 13 DIV HG13 1 1
3 532 1 1 13 . N N 16.417 1.938 0.712 1.00 . A A . 13 DIV N 1 1
3 533 1 1 13 . O O 19.766 2.342 1.737 1.00 . A A . 13 DIV O 1 1
3 534 1 1 14 . C C 21.482 1.636 0.059 1.00 . A A . 14 0AZ C 1 1
3 535 1 1 14 . CA C 20.357 0.787 -0.553 1.00 . A A . 14 0AZ CA 1 1
3 536 1 1 14 . CB C 20.611 -0.697 -0.298 1.00 . A A . 14 0AZ CB 1 1
3 537 1 1 14 . CD C 18.250 -0.276 -0.291 1.00 . A A . 14 0AZ CD 1 1
3 538 1 1 14 . CG C 19.271 -1.358 -0.617 1.00 . A A . 14 0AZ CG 1 1
3 539 1 1 14 . HA H 20.308 0.962 -1.631 1.00 . A A . 14 0AZ HA 1 1
3 540 1 1 14 . HB2 H 20.894 -0.857 0.742 1.00 . A A . 14 0AZ HB2 1 1
3 541 1 1 14 . HB3 H 21.394 -1.051 -0.951 1.00 . A A . 14 0AZ HB3 1 1
3 542 1 1 14 . HD1 H 19.788 -3.040 0.233 1.00 . A A . 14 0AZ HD1 1 1
3 543 1 1 14 . HD22 H 17.632 -0.080 -1.155 1.00 . A A . 14 0AZ HD22 1 1
3 544 1 1 14 . HD23 H 17.637 -0.597 0.537 1.00 . A A . 14 0AZ HD23 1 1
3 545 1 1 14 . HG H 19.240 -1.546 -1.680 1.00 . A A . 14 0AZ HG 1 1
3 546 1 1 14 . N N 19.037 0.943 0.074 1.00 . A A . 14 0AZ N 1 1
3 547 1 1 14 . O O 22.490 1.064 0.500 1.00 . A A . 14 0AZ O 1 1
3 548 1 1 14 . OD1 O 19.029 -2.453 0.250 1.00 . A A . 14 0AZ OD1 1 1
3 549 1 1 15 ABA C C 23.509 3.221 1.176 1.00 . A A . 15 AIB C 1 1
3 550 1 1 15 ABA CA C 22.264 3.940 0.612 1.00 . A A . 15 AIB CA 1 1
3 551 1 1 15 ABA H H 20.452 3.365 -0.302 1.00 . A A . 15 AIB H 1 1
3 552 1 1 15 ABA N N 21.280 2.988 0.065 1.00 . A A . 15 AIB N 1 1
3 553 1 1 15 ABA O O 24.599 3.385 0.631 1.00 . A A . 15 AIB O 1 1
3 554 1 1 16 PRO C C 25.518 1.248 1.769 1.00 . A A . 16 PRO C 1 1
3 555 1 1 16 PRO CA C 24.569 1.772 2.846 1.00 . A A . 16 PRO CA 1 1
3 556 1 1 16 PRO CB C 23.996 0.615 3.660 1.00 . A A . 16 PRO CB 1 1
3 557 1 1 16 PRO CD C 22.155 1.983 3.027 1.00 . A A . 16 PRO CD 1 1
3 558 1 1 16 PRO CG C 22.690 1.125 4.140 1.00 . A A . 16 PRO CG 1 1
3 559 1 1 16 PRO HA H 25.113 2.437 3.501 1.00 . A A . 16 PRO HA 1 1
3 560 1 1 16 PRO HB2 H 23.879 -0.253 3.029 1.00 . A A . 16 PRO HB2 1 1
3 561 1 1 16 PRO HB3 H 24.657 0.385 4.485 1.00 . A A . 16 PRO HB3 1 1
3 562 1 1 16 PRO HD2 H 21.514 1.401 2.385 1.00 . A A . 16 PRO HD2 1 1
3 563 1 1 16 PRO HD3 H 21.617 2.829 3.431 1.00 . A A . 16 PRO HD3 1 1
3 564 1 1 16 PRO HG2 H 22.021 0.299 4.332 1.00 . A A . 16 PRO HG2 1 1
3 565 1 1 16 PRO HG3 H 22.830 1.714 5.033 1.00 . A A . 16 PRO HG3 1 1
3 566 1 1 16 PRO N N 23.377 2.436 2.289 1.00 . A A . 16 PRO N 1 1
3 567 1 1 16 PRO O O 26.736 1.276 1.943 1.00 . A A . 16 PRO O 1 1
3 568 1 1 17 PDH C C 24.952 -0.942 -1.123 1.00 . A A . 17 PDH C 1 1
3 569 1 1 17 PDH CA C 25.806 0.219 -0.473 1.00 . A A . 17 PDH CA 1 1
3 570 1 1 17 PDH CB C 26.655 1.154 -1.297 1.00 . A A . 17 PDH CB 1 1
3 571 1 1 17 PDH CD1 C 28.891 0.082 -1.757 1.00 . A A . 17 PDH CD1 1 1
3 572 1 1 17 PDH CD2 C 28.799 1.887 -0.188 1.00 . A A . 17 PDH CD2 1 1
3 573 1 1 17 PDH CE1 C 30.260 -0.025 -1.559 1.00 . A A . 17 PDH CE1 1 1
3 574 1 1 17 PDH CE2 C 30.167 1.784 0.015 1.00 . A A . 17 PDH CE2 1 1
3 575 1 1 17 PDH CG C 28.147 1.038 -1.076 1.00 . A A . 17 PDH CG 1 1
3 576 1 1 17 PDH CZ C 30.897 0.828 -0.670 1.00 . A A . 17 PDH CZ 1 1
3 577 1 1 17 PDH H1 H 23.927 -0.618 -1.231 1.00 . A A . 17 PDH H1 1 1
3 578 1 1 17 PDH H2 H 24.987 -1.813 -0.485 1.00 . A A . 17 PDH H2 1 1
3 579 1 1 17 PDH HA H 26.622 -0.140 -0.117 1.00 . A A . 17 PDH HA 1 1
3 580 1 1 17 PDH HD1 H 28.396 -0.582 -2.450 1.00 . A A . 17 PDH HD1 1 1
3 581 1 1 17 PDH HD2 H 28.230 2.634 0.347 1.00 . A A . 17 PDH HD2 1 1
3 582 1 1 17 PDH HE1 H 30.828 -0.772 -2.094 1.00 . A A . 17 PDH HE1 1 1
3 583 1 1 17 PDH HE2 H 30.662 2.450 0.707 1.00 . A A . 17 PDH HE2 1 1
3 584 1 1 17 PDH HN H 23.985 0.770 0.573 1.00 . A A . 17 PDH HN 1 1
3 585 1 1 17 PDH HO H 25.101 -0.691 -3.060 1.00 . A A . 17 PDH HO 1 1
3 586 1 1 17 PDH HZ H 31.962 0.746 -0.514 1.00 . A A . 17 PDH HZ 1 1
3 587 1 1 17 PDH N N 24.961 0.769 0.660 1.00 . A A . 17 PDH N 1 1
3 588 1 1 17 PDH O O 25.455 -1.291 -2.400 1.00 . A A . 17 PDH O 1 1
4 589 1 1 1 ACE C C 2.062 4.617 0.403 1.00 . A A . 1 ACE C 1 1
4 590 1 1 1 ACE CH3 C 2.275 5.337 1.756 1.00 . A A . 1 ACE CH3 1 1
4 591 1 1 1 ACE H1 H 1.573 4.965 2.486 1.00 . A A . 1 ACE H1 1 1
4 592 1 1 1 ACE H2 H 2.122 6.402 1.631 1.00 . A A . 1 ACE H2 1 1
4 593 1 1 1 ACE H3 H 3.282 5.166 2.110 1.00 . A A . 1 ACE H3 1 1
4 594 1 1 1 ACE O O 0.902 5.022 0.486 1.00 . A A . 1 ACE O 1 1
4 595 1 1 2 PHE C C 1.614 1.470 2.058 1.00 . A A . 2 PHE C 1 1
4 596 1 1 2 PHE CA C 1.211 2.546 1.053 1.00 . A A . 2 PHE CA 1 1
4 597 1 1 2 PHE CB C 0.536 1.884 -0.152 1.00 . A A . 2 PHE CB 1 1
4 598 1 1 2 PHE CD1 C -1.437 2.117 -1.683 1.00 . A A . 2 PHE CD1 1 1
4 599 1 1 2 PHE CD2 C -1.627 3.019 0.517 1.00 . A A . 2 PHE CD2 1 1
4 600 1 1 2 PHE CE1 C -2.722 2.534 -1.970 1.00 . A A . 2 PHE CE1 1 1
4 601 1 1 2 PHE CE2 C -2.914 3.438 0.234 1.00 . A A . 2 PHE CE2 1 1
4 602 1 1 2 PHE CG C -0.870 2.353 -0.440 1.00 . A A . 2 PHE CG 1 1
4 603 1 1 2 PHE CZ C -3.461 3.196 -1.011 1.00 . A A . 2 PHE CZ 1 1
4 604 1 1 2 PHE H H 2.914 3.220 1.424 1.00 . A A . 2 PHE H 1 1
4 605 1 1 2 PHE HA H 0.521 3.224 1.522 1.00 . A A . 2 PHE HA 1 1
4 606 1 1 2 PHE HB2 H 1.129 2.078 -1.032 1.00 . A A . 2 PHE HB2 1 1
4 607 1 1 2 PHE HB3 H 0.499 0.816 0.015 1.00 . A A . 2 PHE HB3 1 1
4 608 1 1 2 PHE HD1 H -0.860 1.598 -2.436 1.00 . A A . 2 PHE HD1 1 1
4 609 1 1 2 PHE HD2 H -1.210 3.208 1.492 1.00 . A A . 2 PHE HD2 1 1
4 610 1 1 2 PHE HE1 H -3.147 2.341 -2.944 1.00 . A A . 2 PHE HE1 1 1
4 611 1 1 2 PHE HE2 H -3.491 3.957 0.984 1.00 . A A . 2 PHE HE2 1 1
4 612 1 1 2 PHE HZ H -4.465 3.522 -1.234 1.00 . A A . 2 PHE HZ 1 1
4 613 1 1 2 PHE N N 2.372 3.324 0.614 1.00 . A A . 2 PHE N 1 1
4 614 1 1 2 PHE O O 2.809 1.148 2.173 1.00 . A A . 2 PHE O 1 1
4 615 1 1 3 ABA C C 1.348 -1.416 3.101 1.00 . A A . 3 AIB C 1 1
4 616 1 1 3 ABA CA C 0.810 -0.132 3.760 1.00 . A A . 3 AIB CA 1 1
4 617 1 1 3 ABA H H -0.318 1.237 2.597 1.00 . A A . 3 AIB H 1 1
4 618 1 1 3 ABA N N 0.596 0.925 2.762 1.00 . A A . 3 AIB N 1 1
4 619 1 1 3 ABA O O 0.638 -2.436 3.121 1.00 . A A . 3 AIB O 1 1
4 620 1 1 4 ABA C C 4.032 -2.026 0.626 1.00 . A A . 4 AIB C 1 1
4 621 1 1 4 ABA CA C 3.224 -2.479 1.860 1.00 . A A . 4 AIB CA 1 1
4 622 1 1 4 ABA H H 3.098 -0.493 2.548 1.00 . A A . 4 AIB H 1 1
4 623 1 1 4 ABA N N 2.589 -1.335 2.529 1.00 . A A . 4 AIB N 1 1
4 624 1 1 4 ABA O O 4.742 -2.863 0.046 1.00 . A A . 4 AIB O 1 1
4 625 1 1 5 ABA C C 5.890 -0.942 -1.217 1.00 . A A . 5 AIB C 1 1
4 626 1 1 5 ABA CA C 4.612 -0.143 -0.899 1.00 . A A . 5 AIB CA 1 1
4 627 1 1 5 ABA H H 3.319 -0.093 0.759 1.00 . A A . 5 AIB H 1 1
4 628 1 1 5 ABA N N 3.901 -0.709 0.257 1.00 . A A . 5 AIB N 1 1
4 629 1 1 5 ABA O O 6.971 -0.541 -0.757 1.00 . A A . 5 AIB O 1 1
4 630 1 1 6 . C C 7.972 -2.857 -1.282 1.00 . A A . 6 DIV C 1 1
4 631 1 1 6 . CA C 6.886 -2.903 -2.383 1.00 . A A . 6 DIV CA 1 1
4 632 1 1 6 . CB1 C 6.491 -4.292 -2.808 1.00 . A A . 6 DIV CB1 1 1
4 633 1 1 6 . CB2 C 7.505 -2.520 -3.725 1.00 . A A . 6 DIV CB2 1 1
4 634 1 1 6 . CG1 C 7.687 -5.222 -2.943 1.00 . A A . 6 DIV CG1 1 1
4 635 1 1 6 . H H 4.853 -2.322 -2.343 1.00 . A A . 6 DIV H 1 1
4 636 1 1 6 . HB11 H 5.987 -4.258 -3.763 1.00 . A A . 6 DIV HB11 1 1
4 637 1 1 6 . HB12 H 5.824 -4.719 -2.075 1.00 . A A . 6 DIV HB12 1 1
4 638 1 1 6 . HB21 H 6.961 -1.687 -4.145 1.00 . A A . 6 DIV HB21 1 1
4 639 1 1 6 . HB22 H 7.476 -3.344 -4.425 1.00 . A A . 6 DIV HB22 1 1
4 640 1 1 6 . HB23 H 8.532 -2.225 -3.574 1.00 . A A . 6 DIV HB23 1 1
4 641 1 1 6 . HG11 H 8.405 -4.807 -3.638 1.00 . A A . 6 DIV HG11 1 1
4 642 1 1 6 . HG12 H 7.353 -6.181 -3.311 1.00 . A A . 6 DIV HG12 1 1
4 643 1 1 6 . HG13 H 8.155 -5.354 -1.977 1.00 . A A . 6 DIV HG13 1 1
4 644 1 1 6 . N N 5.741 -2.053 -2.003 1.00 . A A . 6 DIV N 1 1
4 645 1 1 6 . O O 9.103 -2.448 -1.542 1.00 . A A . 6 DIV O 1 1
4 646 1 1 7 GLY C C 8.807 -1.871 1.603 1.00 . A A . 7 GLY C 1 1
4 647 1 1 7 GLY CA C 8.572 -3.264 1.036 1.00 . A A . 7 GLY CA 1 1
4 648 1 1 7 GLY H H 6.692 -3.603 0.123 1.00 . A A . 7 GLY H 1 1
4 649 1 1 7 GLY HA2 H 9.511 -3.651 0.668 1.00 . A A . 7 GLY HA2 1 1
4 650 1 1 7 GLY HA3 H 8.219 -3.910 1.828 1.00 . A A . 7 GLY HA3 1 1
4 651 1 1 7 GLY N N 7.609 -3.279 -0.051 1.00 . A A . 7 GLY N 1 1
4 652 1 1 7 GLY O O 9.904 -1.572 2.076 1.00 . A A . 7 GLY O 1 1
4 653 1 1 8 LEU C C 9.299 0.904 1.793 1.00 . A A . 8 LEU C 1 1
4 654 1 1 8 LEU CA C 7.905 0.351 2.061 1.00 . A A . 8 LEU CA 1 1
4 655 1 1 8 LEU CB C 7.601 0.399 3.560 1.00 . A A . 8 LEU CB 1 1
4 656 1 1 8 LEU CD1 C 8.362 -0.504 5.770 1.00 . A A . 8 LEU CD1 1 1
4 657 1 1 8 LEU CD2 C 6.854 -1.870 4.315 1.00 . A A . 8 LEU CD2 1 1
4 658 1 1 8 LEU CG C 7.989 -0.858 4.339 1.00 . A A . 8 LEU CG 1 1
4 659 1 1 8 LEU H H 6.934 -1.300 1.162 1.00 . A A . 8 LEU H 1 1
4 660 1 1 8 LEU HA H 7.184 0.962 1.539 1.00 . A A . 8 LEU HA 1 1
4 661 1 1 8 LEU HB2 H 8.128 1.239 3.986 1.00 . A A . 8 LEU HB2 1 1
4 662 1 1 8 LEU HB3 H 6.542 0.560 3.685 1.00 . A A . 8 LEU HB3 1 1
4 663 1 1 8 LEU HD11 H 9.076 0.307 5.765 1.00 . A A . 8 LEU HD11 1 1
4 664 1 1 8 LEU HD12 H 7.477 -0.202 6.310 1.00 . A A . 8 LEU HD12 1 1
4 665 1 1 8 LEU HD13 H 8.800 -1.366 6.250 1.00 . A A . 8 LEU HD13 1 1
4 666 1 1 8 LEU HD21 H 5.945 -1.382 3.995 1.00 . A A . 8 LEU HD21 1 1
4 667 1 1 8 LEU HD22 H 7.096 -2.666 3.629 1.00 . A A . 8 LEU HD22 1 1
4 668 1 1 8 LEU HD23 H 6.713 -2.275 5.306 1.00 . A A . 8 LEU HD23 1 1
4 669 1 1 8 LEU HG H 8.851 -1.310 3.874 1.00 . A A . 8 LEU HG 1 1
4 670 1 1 8 LEU N N 7.785 -1.013 1.554 1.00 . A A . 8 LEU N 1 1
4 671 1 1 8 LEU O O 10.060 1.163 2.742 1.00 . A A . 8 LEU O 1 1
4 672 1 1 9 ABA C C 12.046 0.623 0.436 1.00 . A A . 9 AIB C 1 1
4 673 1 1 9 ABA CA C 10.903 1.581 0.040 1.00 . A A . 9 AIB CA 1 1
4 674 1 1 9 ABA H H 8.936 0.828 -0.191 1.00 . A A . 9 AIB H 1 1
4 675 1 1 9 ABA N N 9.603 1.066 0.487 1.00 . A A . 9 AIB N 1 1
4 676 1 1 9 ABA O O 13.178 1.094 0.631 1.00 . A A . 9 AIB O 1 1
4 677 1 1 10 ABA C C 13.977 -1.619 0.049 1.00 . A A . 10 AIB C 1 1
4 678 1 1 10 ABA CA C 12.710 -1.726 0.920 1.00 . A A . 10 AIB CA 1 1
4 679 1 1 10 ABA H H 10.801 -1.021 0.383 1.00 . A A . 10 AIB H 1 1
4 680 1 1 10 ABA N N 11.721 -0.704 0.550 1.00 . A A . 10 AIB N 1 1
4 681 1 1 10 ABA O O 15.083 -1.583 0.588 1.00 . A A . 10 AIB O 1 1
4 682 1 1 11 HYP C C 15.510 -0.051 -2.363 1.00 . A A . 11 HYP C 1 1
4 683 1 1 11 HYP CA C 15.040 -1.488 -2.151 1.00 . A A . 11 HYP CA 1 1
4 684 1 1 11 HYP CB C 14.617 -2.107 -3.497 1.00 . A A . 11 HYP CB 1 1
4 685 1 1 11 HYP CD C 12.665 -1.694 -2.197 1.00 . A A . 11 HYP CD 1 1
4 686 1 1 11 HYP CG C 13.166 -2.560 -3.331 1.00 . A A . 11 HYP CG 1 1
4 687 1 1 11 HYP HA H 15.852 -2.065 -1.732 1.00 . A A . 11 HYP HA 1 1
4 688 1 1 11 HYP HB2 H 15.262 -2.942 -3.723 1.00 . A A . 11 HYP HB2 1 1
4 689 1 1 11 HYP HB3 H 14.705 -1.362 -4.274 1.00 . A A . 11 HYP HB3 1 1
4 690 1 1 11 HYP HD1 H 13.110 -4.491 -3.668 1.00 . A A . 11 HYP HD1 1 1
4 691 1 1 11 HYP HD22 H 12.365 -0.724 -2.568 1.00 . A A . 11 HYP HD22 1 1
4 692 1 1 11 HYP HD23 H 11.843 -2.176 -1.690 1.00 . A A . 11 HYP HD23 1 1
4 693 1 1 11 HYP HG H 12.630 -2.289 -4.228 1.00 . A A . 11 HYP HG 1 1
4 694 1 1 11 HYP N N 13.842 -1.578 -1.311 1.00 . A A . 11 HYP N 1 1
4 695 1 1 11 HYP O O 16.003 0.293 -3.439 1.00 . A A . 11 HYP O 1 1
4 696 1 1 11 HYP OD1 O 13.098 -3.910 -2.904 1.00 . A A . 11 HYP OD1 1 1
4 697 1 1 12 GLN C C 17.036 2.417 -0.592 1.00 . A A . 12 GLN C 1 1
4 698 1 1 12 GLN CA C 15.789 2.178 -1.427 1.00 . A A . 12 GLN CA 1 1
4 699 1 1 12 GLN CB C 14.665 3.116 -0.980 1.00 . A A . 12 GLN CB 1 1
4 700 1 1 12 GLN CD C 14.007 3.701 -3.349 1.00 . A A . 12 GLN CD 1 1
4 701 1 1 12 GLN CG C 13.532 3.230 -1.988 1.00 . A A . 12 GLN CG 1 1
4 702 1 1 12 GLN H H 14.970 0.455 -0.503 1.00 . A A . 12 GLN H 1 1
4 703 1 1 12 GLN HA H 16.034 2.388 -2.459 1.00 . A A . 12 GLN HA 1 1
4 704 1 1 12 GLN HB2 H 14.257 2.755 -0.051 1.00 . A A . 12 GLN HB2 1 1
4 705 1 1 12 GLN HB3 H 15.077 4.103 -0.824 1.00 . A A . 12 GLN HB3 1 1
4 706 1 1 12 GLN HE21 H 13.888 5.594 -2.758 1.00 . A A . 12 GLN HE21 1 1
4 707 1 1 12 GLN HE22 H 14.420 5.348 -4.382 1.00 . A A . 12 GLN HE22 1 1
4 708 1 1 12 GLN HG2 H 13.071 2.262 -2.101 1.00 . A A . 12 GLN HG2 1 1
4 709 1 1 12 GLN HG3 H 12.803 3.934 -1.613 1.00 . A A . 12 GLN HG3 1 1
4 710 1 1 12 GLN N N 15.365 0.784 -1.338 1.00 . A A . 12 GLN N 1 1
4 711 1 1 12 GLN NE2 N 14.117 5.014 -3.513 1.00 . A A . 12 GLN NE2 1 1
4 712 1 1 12 GLN O O 17.958 3.109 -1.057 1.00 . A A . 12 GLN O 1 1
4 713 1 1 12 GLN OE1 O 14.270 2.895 -4.242 1.00 . A A . 12 GLN OE1 1 1
4 714 1 1 13 . C C 19.527 1.912 0.731 1.00 . A A . 13 DIV C 1 1
4 715 1 1 13 . CA C 18.208 1.960 1.537 1.00 . A A . 13 DIV CA 1 1
4 716 1 1 13 . CB1 C 18.103 3.176 2.443 1.00 . A A . 13 DIV CB1 1 1
4 717 1 1 13 . CB2 C 18.219 0.978 2.703 1.00 . A A . 13 DIV CB2 1 1
4 718 1 1 13 . CG1 C 16.699 3.430 2.974 1.00 . A A . 13 DIV CG1 1 1
4 719 1 1 13 . H H 16.289 1.289 0.911 1.00 . A A . 13 DIV H 1 1
4 720 1 1 13 . HB11 H 18.399 4.055 1.891 1.00 . A A . 13 DIV HB11 1 1
4 721 1 1 13 . HB12 H 18.763 3.067 3.296 1.00 . A A . 13 DIV HB12 1 1
4 722 1 1 13 . HB21 H 18.224 -0.032 2.332 1.00 . A A . 13 DIV HB21 1 1
4 723 1 1 13 . HB22 H 17.342 1.122 3.311 1.00 . A A . 13 DIV HB22 1 1
4 724 1 1 13 . HB23 H 19.100 1.138 3.309 1.00 . A A . 13 DIV HB23 1 1
4 725 1 1 13 . HG11 H 16.415 2.641 3.653 1.00 . A A . 13 DIV HG11 1 1
4 726 1 1 13 . HG12 H 15.994 3.471 2.154 1.00 . A A . 13 DIV HG12 1 1
4 727 1 1 13 . HG13 H 16.685 4.373 3.502 1.00 . A A . 13 DIV HG13 1 1
4 728 1 1 13 . N N 17.056 1.828 0.626 1.00 . A A . 13 DIV N 1 1
4 729 1 1 13 . O O 20.248 2.898 0.752 1.00 . A A . 13 DIV O 1 1
4 730 1 1 14 . C C 22.186 1.642 -0.460 1.00 . A A . 14 0AZ C 1 1
4 731 1 1 14 . CA C 21.046 0.662 -0.811 1.00 . A A . 14 0AZ CA 1 1
4 732 1 1 14 . CB C 21.466 -0.766 -0.460 1.00 . A A . 14 0AZ CB 1 1
4 733 1 1 14 . CD C 19.099 -0.516 -0.138 1.00 . A A . 14 0AZ CD 1 1
4 734 1 1 14 . CG C 20.160 -1.559 -0.469 1.00 . A A . 14 0AZ CG 1 1
4 735 1 1 14 . HA H 20.823 0.709 -1.881 1.00 . A A . 14 0AZ HA 1 1
4 736 1 1 14 . HB2 H 21.934 -0.788 0.524 1.00 . A A . 14 0AZ HB2 1 1
4 737 1 1 14 . HB3 H 22.158 -1.134 -1.201 1.00 . A A . 14 0AZ HB3 1 1
4 738 1 1 14 . HD1 H 19.321 -3.013 0.543 1.00 . A A . 14 0AZ HD1 1 1
4 739 1 1 14 . HD22 H 18.376 -0.460 -0.937 1.00 . A A . 14 0AZ HD22 1 1
4 740 1 1 14 . HD23 H 18.608 -0.776 0.783 1.00 . A A . 14 0AZ HD23 1 1
4 741 1 1 14 . HG H 19.991 -1.905 -1.479 1.00 . A A . 14 0AZ HG 1 1
4 742 1 1 14 . N N 19.823 0.781 -0.002 1.00 . A A . 14 0AZ N 1 1
4 743 1 1 14 . O O 23.243 1.181 0.001 1.00 . A A . 14 0AZ O 1 1
4 744 1 1 14 . OD1 O 20.150 -2.527 0.567 1.00 . A A . 14 0AZ OD1 1 1
4 745 1 1 15 ABA C C 23.995 3.523 0.655 1.00 . A A . 15 AIB C 1 1
4 746 1 1 15 ABA CA C 22.975 4.003 -0.401 1.00 . A A . 15 AIB CA 1 1
4 747 1 1 15 ABA H H 21.101 3.282 -1.055 1.00 . A A . 15 AIB H 1 1
4 748 1 1 15 ABA N N 21.964 2.972 -0.688 1.00 . A A . 15 AIB N 1 1
4 749 1 1 15 ABA O O 25.194 3.513 0.373 1.00 . A A . 15 AIB O 1 1
4 750 1 1 16 PRO C C 25.666 1.874 2.321 1.00 . A A . 16 PRO C 1 1
4 751 1 1 16 PRO CA C 24.539 2.721 2.907 1.00 . A A . 16 PRO CA 1 1
4 752 1 1 16 PRO CB C 23.722 1.898 3.902 1.00 . A A . 16 PRO CB 1 1
4 753 1 1 16 PRO CD C 22.172 2.836 2.379 1.00 . A A . 16 PRO CD 1 1
4 754 1 1 16 PRO CG C 22.364 2.481 3.823 1.00 . A A . 16 PRO CG 1 1
4 755 1 1 16 PRO HA H 24.966 3.573 3.412 1.00 . A A . 16 PRO HA 1 1
4 756 1 1 16 PRO HB2 H 23.727 0.858 3.608 1.00 . A A . 16 PRO HB2 1 1
4 757 1 1 16 PRO HB3 H 24.139 2.003 4.893 1.00 . A A . 16 PRO HB3 1 1
4 758 1 1 16 PRO HD2 H 21.757 1.994 1.843 1.00 . A A . 16 PRO HD2 1 1
4 759 1 1 16 PRO HD3 H 21.529 3.698 2.286 1.00 . A A . 16 PRO HD3 1 1
4 760 1 1 16 PRO HG2 H 21.630 1.751 4.133 1.00 . A A . 16 PRO HG2 1 1
4 761 1 1 16 PRO HG3 H 22.302 3.366 4.438 1.00 . A A . 16 PRO HG3 1 1
4 762 1 1 16 PRO N N 23.552 3.145 1.895 1.00 . A A . 16 PRO N 1 1
4 763 1 1 16 PRO O O 26.814 1.972 2.756 1.00 . A A . 16 PRO O 1 1
4 764 1 1 17 PDH C C 25.731 -1.302 0.672 1.00 . A A . 17 PDH C 1 1
4 765 1 1 17 PDH CA C 26.366 0.147 0.680 1.00 . A A . 17 PDH CA 1 1
4 766 1 1 17 PDH CB C 27.193 0.672 -0.467 1.00 . A A . 17 PDH CB 1 1
4 767 1 1 17 PDH CD1 C 29.599 0.183 0.101 1.00 . A A . 17 PDH CD1 1 1
4 768 1 1 17 PDH CD2 C 28.895 2.471 0.032 1.00 . A A . 17 PDH CD2 1 1
4 769 1 1 17 PDH CE1 C 30.883 0.586 0.432 1.00 . A A . 17 PDH CE1 1 1
4 770 1 1 17 PDH CE2 C 30.178 2.879 0.364 1.00 . A A . 17 PDH CE2 1 1
4 771 1 1 17 PDH CG C 28.591 1.120 -0.102 1.00 . A A . 17 PDH CG 1 1
4 772 1 1 17 PDH CZ C 31.172 1.935 0.564 1.00 . A A . 17 PDH CZ 1 1
4 773 1 1 17 PDH H1 H 24.715 -1.247 0.304 1.00 . A A . 17 PDH H1 1 1
4 774 1 1 17 PDH H2 H 25.728 -1.698 1.676 1.00 . A A . 17 PDH H2 1 1
4 775 1 1 17 PDH HA H 27.169 0.144 1.203 1.00 . A A . 17 PDH HA 1 1
4 776 1 1 17 PDH HD1 H 29.373 -0.868 -0.001 1.00 . A A . 17 PDH HD1 1 1
4 777 1 1 17 PDH HD2 H 28.118 3.207 -0.124 1.00 . A A . 17 PDH HD2 1 1
4 778 1 1 17 PDH HE1 H 31.657 -0.151 0.587 1.00 . A A . 17 PDH HE1 1 1
4 779 1 1 17 PDH HE2 H 30.402 3.930 0.467 1.00 . A A . 17 PDH HE2 1 1
4 780 1 1 17 PDH HN H 24.404 1.006 1.036 1.00 . A A . 17 PDH HN 1 1
4 781 1 1 17 PDH HO H 27.139 -2.630 0.358 1.00 . A A . 17 PDH HO 1 1
4 782 1 1 17 PDH HZ H 32.173 2.250 0.822 1.00 . A A . 17 PDH HZ 1 1
4 783 1 1 17 PDH N N 25.336 1.043 1.340 1.00 . A A . 17 PDH N 1 1
4 784 1 1 17 PDH O O 26.468 -2.179 -0.162 1.00 . A A . 17 PDH O 1 1
5 785 1 1 1 ACE C C 2.010 4.939 1.586 1.00 . A A . 1 ACE C 1 1
5 786 1 1 1 ACE CH3 C 3.487 4.633 1.922 1.00 . A A . 1 ACE CH3 1 1
5 787 1 1 1 ACE H1 H 3.541 3.902 2.714 1.00 . A A . 1 ACE H1 1 1
5 788 1 1 1 ACE H2 H 3.983 5.541 2.245 1.00 . A A . 1 ACE H2 1 1
5 789 1 1 1 ACE H3 H 3.991 4.249 1.048 1.00 . A A . 1 ACE H3 1 1
5 790 1 1 1 ACE O O 1.903 5.222 2.779 1.00 . A A . 1 ACE O 1 1
5 791 1 1 2 PHE C C 1.994 2.040 2.738 1.00 . A A . 2 PHE C 1 1
5 792 1 1 2 PHE CA C 0.924 2.944 2.130 1.00 . A A . 2 PHE CA 1 1
5 793 1 1 2 PHE CB C -0.218 2.092 1.560 1.00 . A A . 2 PHE CB 1 1
5 794 1 1 2 PHE CD1 C -1.477 2.528 3.703 1.00 . A A . 2 PHE CD1 1 1
5 795 1 1 2 PHE CD2 C -2.681 1.694 1.820 1.00 . A A . 2 PHE CD2 1 1
5 796 1 1 2 PHE CE1 C -2.643 2.536 4.446 1.00 . A A . 2 PHE CE1 1 1
5 797 1 1 2 PHE CE2 C -3.849 1.701 2.559 1.00 . A A . 2 PHE CE2 1 1
5 798 1 1 2 PHE CG C -1.482 2.107 2.381 1.00 . A A . 2 PHE CG 1 1
5 799 1 1 2 PHE CZ C -3.829 2.122 3.873 1.00 . A A . 2 PHE CZ 1 1
5 800 1 1 2 PHE H H 2.203 3.194 0.785 1.00 . A A . 2 PHE H 1 1
5 801 1 1 2 PHE HA H 0.536 3.584 2.902 1.00 . A A . 2 PHE HA 1 1
5 802 1 1 2 PHE HB2 H -0.471 2.452 0.574 1.00 . A A . 2 PHE HB2 1 1
5 803 1 1 2 PHE HB3 H 0.114 1.066 1.485 1.00 . A A . 2 PHE HB3 1 1
5 804 1 1 2 PHE HD1 H -0.555 2.852 4.153 1.00 . A A . 2 PHE HD1 1 1
5 805 1 1 2 PHE HD2 H -2.699 1.364 0.792 1.00 . A A . 2 PHE HD2 1 1
5 806 1 1 2 PHE HE1 H -2.624 2.867 5.474 1.00 . A A . 2 PHE HE1 1 1
5 807 1 1 2 PHE HE2 H -4.775 1.376 2.109 1.00 . A A . 2 PHE HE2 1 1
5 808 1 1 2 PHE HZ H -4.741 2.129 4.454 1.00 . A A . 2 PHE HZ 1 1
5 809 1 1 2 PHE N N 1.491 3.801 1.084 1.00 . A A . 2 PHE N 1 1
5 810 1 1 2 PHE O O 2.906 1.598 2.019 1.00 . A A . 2 PHE O 1 1
5 811 1 1 3 ABA C C 2.804 -0.503 4.228 1.00 . A A . 3 AIB C 1 1
5 812 1 1 3 ABA CA C 2.795 0.930 4.796 1.00 . A A . 3 AIB CA 1 1
5 813 1 1 3 ABA H H 1.102 2.177 4.546 1.00 . A A . 3 AIB H 1 1
5 814 1 1 3 ABA N N 1.854 1.784 4.060 1.00 . A A . 3 AIB N 1 1
5 815 1 1 3 ABA O O 2.333 -1.419 4.921 1.00 . A A . 3 AIB O 1 1
5 816 1 1 4 ABA C C 3.868 -1.834 0.850 1.00 . A A . 4 AIB C 1 1
5 817 1 1 4 ABA CA C 3.398 -1.969 2.311 1.00 . A A . 4 AIB CA 1 1
5 818 1 1 4 ABA H H 3.688 0.113 2.477 1.00 . A A . 4 AIB H 1 1
5 819 1 1 4 ABA N N 3.334 -0.660 2.976 1.00 . A A . 4 AIB N 1 1
5 820 1 1 4 ABA O O 4.437 -2.802 0.321 1.00 . A A . 4 AIB O 1 1
5 821 1 1 5 ABA C C 5.138 -1.310 -1.616 1.00 . A A . 5 AIB C 1 1
5 822 1 1 5 ABA CA C 4.003 -0.371 -1.163 1.00 . A A . 5 AIB CA 1 1
5 823 1 1 5 ABA H H 3.152 0.098 0.703 1.00 . A A . 5 AIB H 1 1
5 824 1 1 5 ABA N N 3.615 -0.634 0.231 1.00 . A A . 5 AIB N 1 1
5 825 1 1 5 ABA O O 6.308 -0.898 -1.561 1.00 . A A . 5 AIB O 1 1
5 826 1 1 6 . C C 7.089 -3.392 -1.769 1.00 . A A . 6 DIV C 1 1
5 827 1 1 6 . CA C 5.748 -3.550 -2.529 1.00 . A A . 6 DIV CA 1 1
5 828 1 1 6 . CB1 C 5.219 -4.957 -2.565 1.00 . A A . 6 DIV CB1 1 1
5 829 1 1 6 . CB2 C 5.965 -3.523 -4.035 1.00 . A A . 6 DIV CB2 1 1
5 830 1 1 6 . CG1 C 5.014 -5.545 -1.177 1.00 . A A . 6 DIV CG1 1 1
5 831 1 1 6 . H H 3.817 -2.822 -2.083 1.00 . A A . 6 DIV H 1 1
5 832 1 1 6 . HB11 H 5.911 -5.601 -3.091 1.00 . A A . 6 DIV HB11 1 1
5 833 1 1 6 . HB12 H 4.265 -4.975 -3.073 1.00 . A A . 6 DIV HB12 1 1
5 834 1 1 6 . HB21 H 5.027 -3.700 -4.541 1.00 . A A . 6 DIV HB21 1 1
5 835 1 1 6 . HB22 H 6.672 -4.289 -4.316 1.00 . A A . 6 DIV HB22 1 1
5 836 1 1 6 . HB23 H 6.351 -2.558 -4.331 1.00 . A A . 6 DIV HB23 1 1
5 837 1 1 6 . HG11 H 4.322 -4.934 -0.614 1.00 . A A . 6 DIV HG11 1 1
5 838 1 1 6 . HG12 H 5.961 -5.592 -0.658 1.00 . A A . 6 DIV HG12 1 1
5 839 1 1 6 . HG13 H 4.612 -6.543 -1.270 1.00 . A A . 6 DIV HG13 1 1
5 840 1 1 6 . N N 4.765 -2.552 -2.059 1.00 . A A . 6 DIV N 1 1
5 841 1 1 6 . O O 8.114 -3.081 -2.373 1.00 . A A . 6 DIV O 1 1
5 842 1 1 7 GLY C C 8.721 -2.064 0.546 1.00 . A A . 7 GLY C 1 1
5 843 1 1 7 GLY CA C 8.283 -3.504 0.343 1.00 . A A . 7 GLY CA 1 1
5 844 1 1 7 GLY H H 6.226 -3.876 0.018 1.00 . A A . 7 GLY H 1 1
5 845 1 1 7 GLY HA2 H 9.073 -4.039 -0.163 1.00 . A A . 7 GLY HA2 1 1
5 846 1 1 7 GLY HA3 H 8.121 -3.957 1.309 1.00 . A A . 7 GLY HA3 1 1
5 847 1 1 7 GLY N N 7.064 -3.621 -0.437 1.00 . A A . 7 GLY N 1 1
5 848 1 1 7 GLY O O 9.898 -1.798 0.779 1.00 . A A . 7 GLY O 1 1
5 849 1 1 8 LEU C C 9.446 0.636 0.090 1.00 . A A . 8 LEU C 1 1
5 850 1 1 8 LEU CA C 8.068 0.280 0.643 1.00 . A A . 8 LEU CA 1 1
5 851 1 1 8 LEU CB C 7.989 0.662 2.126 1.00 . A A . 8 LEU CB 1 1
5 852 1 1 8 LEU CD1 C 9.503 -0.742 3.551 1.00 . A A . 8 LEU CD1 1 1
5 853 1 1 8 LEU CD2 C 7.179 -0.239 4.320 1.00 . A A . 8 LEU CD2 1 1
5 854 1 1 8 LEU CG C 8.066 -0.506 3.113 1.00 . A A . 8 LEU CG 1 1
5 855 1 1 8 LEU H H 6.851 -1.413 0.278 1.00 . A A . 8 LEU H 1 1
5 856 1 1 8 LEU HA H 7.324 0.843 0.100 1.00 . A A . 8 LEU HA 1 1
5 857 1 1 8 LEU HB2 H 8.801 1.340 2.343 1.00 . A A . 8 LEU HB2 1 1
5 858 1 1 8 LEU HB3 H 7.057 1.180 2.292 1.00 . A A . 8 LEU HB3 1 1
5 859 1 1 8 LEU HD11 H 10.063 0.178 3.458 1.00 . A A . 8 LEU HD11 1 1
5 860 1 1 8 LEU HD12 H 9.515 -1.070 4.579 1.00 . A A . 8 LEU HD12 1 1
5 861 1 1 8 LEU HD13 H 9.950 -1.501 2.925 1.00 . A A . 8 LEU HD13 1 1
5 862 1 1 8 LEU HD21 H 6.963 0.818 4.381 1.00 . A A . 8 LEU HD21 1 1
5 863 1 1 8 LEU HD22 H 6.255 -0.789 4.217 1.00 . A A . 8 LEU HD22 1 1
5 864 1 1 8 LEU HD23 H 7.688 -0.554 5.218 1.00 . A A . 8 LEU HD23 1 1
5 865 1 1 8 LEU HG H 7.713 -1.405 2.630 1.00 . A A . 8 LEU HG 1 1
5 866 1 1 8 LEU N N 7.773 -1.138 0.463 1.00 . A A . 8 LEU N 1 1
5 867 1 1 8 LEU O O 10.252 1.266 0.797 1.00 . A A . 8 LEU O 1 1
5 868 1 1 9 ABA C C 12.160 0.244 -0.930 1.00 . A A . 9 AIB C 1 1
5 869 1 1 9 ABA CA C 10.959 0.495 -1.863 1.00 . A A . 9 AIB CA 1 1
5 870 1 1 9 ABA H H 8.986 -0.262 -1.661 1.00 . A A . 9 AIB H 1 1
5 871 1 1 9 ABA N N 9.685 0.227 -1.178 1.00 . A A . 9 AIB N 1 1
5 872 1 1 9 ABA O O 13.163 0.964 -1.048 1.00 . A A . 9 AIB O 1 1
5 873 1 1 10 ABA C C 14.430 -1.373 0.208 1.00 . A A . 10 AIB C 1 1
5 874 1 1 10 ABA CA C 13.094 -1.113 0.933 1.00 . A A . 10 AIB CA 1 1
5 875 1 1 10 ABA H H 11.200 -1.306 0.034 1.00 . A A . 10 AIB H 1 1
5 876 1 1 10 ABA N N 12.028 -0.770 -0.018 1.00 . A A . 10 AIB N 1 1
5 877 1 1 10 ABA O O 15.479 -0.964 0.706 1.00 . A A . 10 AIB O 1 1
5 878 1 1 11 HYP C C 16.347 -1.051 -2.207 1.00 . A A . 11 HYP C 1 1
5 879 1 1 11 HYP CA C 15.699 -2.323 -1.665 1.00 . A A . 11 HYP CA 1 1
5 880 1 1 11 HYP CB C 15.327 -3.260 -2.825 1.00 . A A . 11 HYP CB 1 1
5 881 1 1 11 HYP CD C 13.321 -2.729 -1.720 1.00 . A A . 11 HYP CD 1 1
5 882 1 1 11 HYP CG C 13.999 -3.884 -2.416 1.00 . A A . 11 HYP CG 1 1
5 883 1 1 11 HYP HA H 16.400 -2.823 -1.014 1.00 . A A . 11 HYP HA 1 1
5 884 1 1 11 HYP HB2 H 16.094 -4.010 -2.945 1.00 . A A . 11 HYP HB2 1 1
5 885 1 1 11 HYP HB3 H 15.229 -2.688 -3.736 1.00 . A A . 11 HYP HB3 1 1
5 886 1 1 11 HYP HD1 H 14.451 -5.733 -1.891 1.00 . A A . 11 HYP HD1 1 1
5 887 1 1 11 HYP HD22 H 12.890 -2.056 -2.448 1.00 . A A . 11 HYP HD22 1 1
5 888 1 1 11 HYP HD23 H 12.563 -3.093 -1.044 1.00 . A A . 11 HYP HD23 1 1
5 889 1 1 11 HYP HG H 13.448 -4.119 -3.315 1.00 . A A . 11 HYP HG 1 1
5 890 1 1 11 HYP N N 14.422 -2.064 -0.973 1.00 . A A . 11 HYP N 1 1
5 891 1 1 11 HYP O O 17.440 -1.097 -2.771 1.00 . A A . 11 HYP O 1 1
5 892 1 1 11 HYP OD1 O 14.189 -4.915 -1.462 1.00 . A A . 11 HYP OD1 1 1
5 893 1 1 12 GLN C C 17.108 2.002 -1.482 1.00 . A A . 12 GLN C 1 1
5 894 1 1 12 GLN CA C 16.194 1.355 -2.519 1.00 . A A . 12 GLN CA 1 1
5 895 1 1 12 GLN CB C 15.047 2.304 -2.871 1.00 . A A . 12 GLN CB 1 1
5 896 1 1 12 GLN CD C 15.048 1.183 -5.136 1.00 . A A . 12 GLN CD 1 1
5 897 1 1 12 GLN CG C 14.211 1.836 -4.053 1.00 . A A . 12 GLN CG 1 1
5 898 1 1 12 GLN H H 14.803 0.060 -1.583 1.00 . A A . 12 GLN H 1 1
5 899 1 1 12 GLN HA H 16.771 1.158 -3.411 1.00 . A A . 12 GLN HA 1 1
5 900 1 1 12 GLN HB2 H 14.397 2.400 -2.014 1.00 . A A . 12 GLN HB2 1 1
5 901 1 1 12 GLN HB3 H 15.457 3.273 -3.111 1.00 . A A . 12 GLN HB3 1 1
5 902 1 1 12 GLN HE21 H 13.784 -0.351 -5.229 1.00 . A A . 12 GLN HE21 1 1
5 903 1 1 12 GLN HE22 H 15.136 -0.424 -6.304 1.00 . A A . 12 GLN HE22 1 1
5 904 1 1 12 GLN HG2 H 13.482 1.122 -3.702 1.00 . A A . 12 GLN HG2 1 1
5 905 1 1 12 GLN HG3 H 13.703 2.690 -4.477 1.00 . A A . 12 GLN HG3 1 1
5 906 1 1 12 GLN N N 15.671 0.082 -2.038 1.00 . A A . 12 GLN N 1 1
5 907 1 1 12 GLN NE2 N 14.612 0.018 -5.604 1.00 . A A . 12 GLN NE2 1 1
5 908 1 1 12 GLN O O 18.280 2.286 -1.783 1.00 . A A . 12 GLN O 1 1
5 909 1 1 12 GLN OE1 O 16.077 1.720 -5.550 1.00 . A A . 12 GLN OE1 1 1
5 910 1 1 13 . C C 18.794 2.479 0.760 1.00 . A A . 13 DIV C 1 1
5 911 1 1 13 . CA C 17.290 2.845 0.842 1.00 . A A . 13 DIV CA 1 1
5 912 1 1 13 . CB1 C 17.028 4.320 0.986 1.00 . A A . 13 DIV CB1 1 1
5 913 1 1 13 . CB2 C 16.741 2.503 2.222 1.00 . A A . 13 DIV CB2 1 1
5 914 1 1 13 . CG1 C 15.554 4.686 0.918 1.00 . A A . 13 DIV CG1 1 1
5 915 1 1 13 . H H 15.609 1.967 -0.129 1.00 . A A . 13 DIV H 1 1
5 916 1 1 13 . HB11 H 17.527 4.851 0.189 1.00 . A A . 13 DIV HB11 1 1
5 917 1 1 13 . HB12 H 17.413 4.675 1.933 1.00 . A A . 13 DIV HB12 1 1
5 918 1 1 13 . HB21 H 17.169 3.160 2.967 1.00 . A A . 13 DIV HB21 1 1
5 919 1 1 13 . HB22 H 16.993 1.482 2.468 1.00 . A A . 13 DIV HB22 1 1
5 920 1 1 13 . HB23 H 15.668 2.609 2.228 1.00 . A A . 13 DIV HB23 1 1
5 921 1 1 13 . HG11 H 15.447 5.756 1.000 1.00 . A A . 13 DIV HG11 1 1
5 922 1 1 13 . HG12 H 15.022 4.213 1.729 1.00 . A A . 13 DIV HG12 1 1
5 923 1 1 13 . HG13 H 15.138 4.357 -0.026 1.00 . A A . 13 DIV HG13 1 1
5 924 1 1 13 . N N 16.545 2.223 -0.272 1.00 . A A . 13 DIV N 1 1
5 925 1 1 13 . O O 19.614 3.324 1.102 1.00 . A A . 13 DIV O 1 1
5 926 1 1 14 . C C 21.598 1.882 0.584 1.00 . A A . 14 0AZ C 1 1
5 927 1 1 14 . CA C 20.564 0.818 0.176 1.00 . A A . 14 0AZ CA 1 1
5 928 1 1 14 . CB C 20.605 -0.354 1.156 1.00 . A A . 14 0AZ CB 1 1
5 929 1 1 14 . CD C 18.349 -0.026 0.418 1.00 . A A . 14 0AZ CD 1 1
5 930 1 1 14 . CG C 19.313 -1.116 0.872 1.00 . A A . 14 0AZ CG 1 1
5 931 1 1 14 . HA H 20.786 0.450 -0.829 1.00 . A A . 14 0AZ HA 1 1
5 932 1 1 14 . HB2 H 20.633 0.013 2.181 1.00 . A A . 14 0AZ HB2 1 1
5 933 1 1 14 . HB3 H 21.475 -0.962 0.960 1.00 . A A . 14 0AZ HB3 1 1
5 934 1 1 14 . HD1 H 18.911 -1.090 2.799 1.00 . A A . 14 0AZ HD1 1 1
5 935 1 1 14 . HD22 H 17.921 -0.290 -0.538 1.00 . A A . 14 0AZ HD22 1 1
5 936 1 1 14 . HD23 H 17.567 0.095 1.152 1.00 . A A . 14 0AZ HD23 1 1
5 937 1 1 14 . HG H 19.498 -1.775 0.036 1.00 . A A . 14 0AZ HG 1 1
5 938 1 1 14 . N N 19.155 1.228 0.299 1.00 . A A . 14 0AZ N 1 1
5 939 1 1 14 . O O 22.367 1.628 1.523 1.00 . A A . 14 0AZ O 1 1
5 940 1 1 14 . OD1 O 18.790 -1.689 2.059 1.00 . A A . 14 0AZ OD1 1 1
5 941 1 1 15 ABA C C 23.583 3.764 1.198 1.00 . A A . 15 AIB C 1 1
5 942 1 1 15 ABA CA C 22.529 4.156 0.140 1.00 . A A . 15 AIB CA 1 1
5 943 1 1 15 ABA H H 20.953 3.182 -0.864 1.00 . A A . 15 AIB H 1 1
5 944 1 1 15 ABA N N 21.596 3.050 -0.134 1.00 . A A . 15 AIB N 1 1
5 945 1 1 15 ABA O O 24.748 3.576 0.847 1.00 . A A . 15 AIB O 1 1
5 946 1 1 16 PRO C C 25.259 2.329 3.012 1.00 . A A . 16 PRO C 1 1
5 947 1 1 16 PRO CA C 24.182 3.283 3.530 1.00 . A A . 16 PRO CA 1 1
5 948 1 1 16 PRO CB C 23.340 2.593 4.599 1.00 . A A . 16 PRO CB 1 1
5 949 1 1 16 PRO CD C 21.869 3.859 3.153 1.00 . A A . 16 PRO CD 1 1
5 950 1 1 16 PRO CG C 22.001 3.244 4.527 1.00 . A A . 16 PRO CG 1 1
5 951 1 1 16 PRO HA H 24.652 4.158 3.952 1.00 . A A . 16 PRO HA 1 1
5 952 1 1 16 PRO HB2 H 23.278 1.535 4.382 1.00 . A A . 16 PRO HB2 1 1
5 953 1 1 16 PRO HB3 H 23.796 2.740 5.568 1.00 . A A . 16 PRO HB3 1 1
5 954 1 1 16 PRO HD2 H 21.091 3.360 2.595 1.00 . A A . 16 PRO HD2 1 1
5 955 1 1 16 PRO HD3 H 21.651 4.912 3.235 1.00 . A A . 16 PRO HD3 1 1
5 956 1 1 16 PRO HG2 H 21.229 2.503 4.676 1.00 . A A . 16 PRO HG2 1 1
5 957 1 1 16 PRO HG3 H 21.929 4.009 5.284 1.00 . A A . 16 PRO HG3 1 1
5 958 1 1 16 PRO N N 23.197 3.645 2.507 1.00 . A A . 16 PRO N 1 1
5 959 1 1 16 PRO O O 26.411 2.394 3.441 1.00 . A A . 16 PRO O 1 1
5 960 1 1 17 PDH C C 26.460 -0.345 2.739 1.00 . A A . 17 PDH C 1 1
5 961 1 1 17 PDH CA C 25.853 0.440 1.511 1.00 . A A . 17 PDH CA 1 1
5 962 1 1 17 PDH CB C 25.540 -0.232 0.208 1.00 . A A . 17 PDH CB 1 1
5 963 1 1 17 PDH CD1 C 26.467 1.618 -1.214 1.00 . A A . 17 PDH CD1 1 1
5 964 1 1 17 PDH CD2 C 24.338 0.694 -1.799 1.00 . A A . 17 PDH CD2 1 1
5 965 1 1 17 PDH CE1 C 26.389 2.489 -2.290 1.00 . A A . 17 PDH CE1 1 1
5 966 1 1 17 PDH CE2 C 24.253 1.563 -2.876 1.00 . A A . 17 PDH CE2 1 1
5 967 1 1 17 PDH CG C 25.446 0.712 -0.958 1.00 . A A . 17 PDH CG 1 1
5 968 1 1 17 PDH CZ C 25.280 2.462 -3.121 1.00 . A A . 17 PDH CZ 1 1
5 969 1 1 17 PDH H1 H 25.858 -1.219 2.939 1.00 . A A . 17 PDH H1 1 1
5 970 1 1 17 PDH H2 H 26.462 0.296 3.608 1.00 . A A . 17 PDH H2 1 1
5 971 1 1 17 PDH HA H 26.556 0.905 1.037 1.00 . A A . 17 PDH HA 1 1
5 972 1 1 17 PDH HD1 H 27.332 1.640 -0.567 1.00 . A A . 17 PDH HD1 1 1
5 973 1 1 17 PDH HD2 H 23.538 -0.005 -1.608 1.00 . A A . 17 PDH HD2 1 1
5 974 1 1 17 PDH HE1 H 27.190 3.190 -2.479 1.00 . A A . 17 PDH HE1 1 1
5 975 1 1 17 PDH HE2 H 23.388 1.540 -3.523 1.00 . A A . 17 PDH HE2 1 1
5 976 1 1 17 PDH HN H 23.946 1.435 1.794 1.00 . A A . 17 PDH HN 1 1
5 977 1 1 17 PDH HO H 28.387 -0.333 3.094 1.00 . A A . 17 PDH HO 1 1
5 978 1 1 17 PDH HZ H 25.217 3.139 -3.960 1.00 . A A . 17 PDH HZ 1 1
5 979 1 1 17 PDH N N 24.878 1.443 2.097 1.00 . A A . 17 PDH N 1 1
5 980 1 1 17 PDH O O 27.790 -0.759 2.475 1.00 . A A . 17 PDH O 1 1
6 981 1 1 1 ACE C C 1.359 5.040 1.606 1.00 . A A . 1 ACE C 1 1
6 982 1 1 1 ACE CH3 C 2.848 5.289 1.934 1.00 . A A . 1 ACE CH3 1 1
6 983 1 1 1 ACE H1 H 2.990 6.327 2.209 1.00 . A A . 1 ACE H1 1 1
6 984 1 1 1 ACE H2 H 3.458 5.066 1.073 1.00 . A A . 1 ACE H2 1 1
6 985 1 1 1 ACE H3 H 3.152 4.662 2.759 1.00 . A A . 1 ACE H3 1 1
6 986 1 1 1 ACE O O 1.146 5.467 2.741 1.00 . A A . 1 ACE O 1 1
6 987 1 1 2 PHE C C 2.185 2.051 2.888 1.00 . A A . 2 PHE C 1 1
6 988 1 1 2 PHE CA C 0.974 2.896 2.484 1.00 . A A . 2 PHE CA 1 1
6 989 1 1 2 PHE CB C -0.221 1.981 2.210 1.00 . A A . 2 PHE CB 1 1
6 990 1 1 2 PHE CD1 C -2.585 2.794 1.987 1.00 . A A . 2 PHE CD1 1 1
6 991 1 1 2 PHE CD2 C -1.638 2.644 4.171 1.00 . A A . 2 PHE CD2 1 1
6 992 1 1 2 PHE CE1 C -3.771 3.254 2.529 1.00 . A A . 2 PHE CE1 1 1
6 993 1 1 2 PHE CE2 C -2.821 3.104 4.719 1.00 . A A . 2 PHE CE2 1 1
6 994 1 1 2 PHE CG C -1.507 2.483 2.802 1.00 . A A . 2 PHE CG 1 1
6 995 1 1 2 PHE CZ C -3.888 3.410 3.897 1.00 . A A . 2 PHE CZ 1 1
6 996 1 1 2 PHE H H 2.127 3.353 1.075 1.00 . A A . 2 PHE H 1 1
6 997 1 1 2 PHE HA H 0.726 3.550 3.304 1.00 . A A . 2 PHE HA 1 1
6 998 1 1 2 PHE HB2 H -0.359 1.891 1.143 1.00 . A A . 2 PHE HB2 1 1
6 999 1 1 2 PHE HB3 H -0.021 1.005 2.627 1.00 . A A . 2 PHE HB3 1 1
6 1000 1 1 2 PHE HD1 H -2.494 2.672 0.918 1.00 . A A . 2 PHE HD1 1 1
6 1001 1 1 2 PHE HD2 H -0.805 2.405 4.814 1.00 . A A . 2 PHE HD2 1 1
6 1002 1 1 2 PHE HE1 H -4.603 3.493 1.884 1.00 . A A . 2 PHE HE1 1 1
6 1003 1 1 2 PHE HE2 H -2.910 3.224 5.789 1.00 . A A . 2 PHE HE2 1 1
6 1004 1 1 2 PHE HZ H -4.813 3.769 4.322 1.00 . A A . 2 PHE HZ 1 1
6 1005 1 1 2 PHE N N 1.251 3.730 1.303 1.00 . A A . 2 PHE N 1 1
6 1006 1 1 2 PHE O O 2.961 1.626 2.015 1.00 . A A . 2 PHE O 1 1
6 1007 1 1 3 ABA C C 3.378 -0.416 4.256 1.00 . A A . 3 AIB C 1 1
6 1008 1 1 3 ABA CA C 3.419 1.034 4.773 1.00 . A A . 3 AIB CA 1 1
6 1009 1 1 3 ABA H H 1.650 2.203 4.830 1.00 . A A . 3 AIB H 1 1
6 1010 1 1 3 ABA N N 2.315 1.827 4.215 1.00 . A A . 3 AIB N 1 1
6 1011 1 1 3 ABA O O 3.106 -1.331 5.052 1.00 . A A . 3 AIB O 1 1
6 1012 1 1 4 ABA C C 4.095 -1.852 0.828 1.00 . A A . 4 AIB C 1 1
6 1013 1 1 4 ABA CA C 3.643 -1.928 2.299 1.00 . A A . 4 AIB CA 1 1
6 1014 1 1 4 ABA H H 3.856 0.170 2.345 1.00 . A A . 4 AIB H 1 1
6 1015 1 1 4 ABA N N 3.648 -0.598 2.927 1.00 . A A . 4 AIB N 1 1
6 1016 1 1 4 ABA O O 4.721 -2.813 0.350 1.00 . A A . 4 AIB O 1 1
6 1017 1 1 5 ABA C C 5.356 -1.355 -1.656 1.00 . A A . 5 AIB C 1 1
6 1018 1 1 5 ABA CA C 4.125 -0.512 -1.269 1.00 . A A . 5 AIB CA 1 1
6 1019 1 1 5 ABA H H 3.259 0.016 0.575 1.00 . A A . 5 AIB H 1 1
6 1020 1 1 5 ABA N N 3.761 -0.714 0.141 1.00 . A A . 5 AIB N 1 1
6 1021 1 1 5 ABA O O 6.484 -0.854 -1.529 1.00 . A A . 5 AIB O 1 1
6 1022 1 1 6 . C C 7.435 -3.336 -1.631 1.00 . A A . 6 DIV C 1 1
6 1023 1 1 6 . CA C 6.197 -3.531 -2.540 1.00 . A A . 6 DIV CA 1 1
6 1024 1 1 6 . CB1 C 5.764 -4.968 -2.699 1.00 . A A . 6 DIV CB1 1 1
6 1025 1 1 6 . CB2 C 6.597 -3.376 -4.002 1.00 . A A . 6 DIV CB2 1 1
6 1026 1 1 6 . CG1 C 4.436 -5.119 -3.424 1.00 . A A . 6 DIV CG1 1 1
6 1027 1 1 6 . H H 4.190 -2.962 -2.210 1.00 . A A . 6 DIV H 1 1
6 1028 1 1 6 . HB11 H 5.651 -5.416 -1.722 1.00 . A A . 6 DIV HB11 1 1
6 1029 1 1 6 . HB12 H 6.508 -5.525 -3.252 1.00 . A A . 6 DIV HB12 1 1
6 1030 1 1 6 . HB21 H 5.714 -3.351 -4.624 1.00 . A A . 6 DIV HB21 1 1
6 1031 1 1 6 . HB22 H 7.225 -4.201 -4.307 1.00 . A A . 6 DIV HB22 1 1
6 1032 1 1 6 . HB23 H 7.143 -2.454 -4.131 1.00 . A A . 6 DIV HB23 1 1
6 1033 1 1 6 . HG11 H 4.182 -6.167 -3.486 1.00 . A A . 6 DIV HG11 1 1
6 1034 1 1 6 . HG12 H 4.514 -4.711 -4.420 1.00 . A A . 6 DIV HG12 1 1
6 1035 1 1 6 . HG13 H 3.661 -4.598 -2.880 1.00 . A A . 6 DIV HG13 1 1
6 1036 1 1 6 . N N 5.110 -2.619 -2.127 1.00 . A A . 6 DIV N 1 1
6 1037 1 1 6 . O O 8.457 -2.814 -2.076 1.00 . A A . 6 DIV O 1 1
6 1038 1 1 7 GLY C C 8.842 -2.159 0.742 1.00 . A A . 7 GLY C 1 1
6 1039 1 1 7 GLY CA C 8.449 -3.612 0.550 1.00 . A A . 7 GLY CA 1 1
6 1040 1 1 7 GLY H H 6.493 -4.179 -0.026 1.00 . A A . 7 GLY H 1 1
6 1041 1 1 7 GLY HA2 H 9.294 -4.149 0.147 1.00 . A A . 7 GLY HA2 1 1
6 1042 1 1 7 GLY HA3 H 8.193 -4.041 1.510 1.00 . A A . 7 GLY HA3 1 1
6 1043 1 1 7 GLY N N 7.327 -3.764 -0.355 1.00 . A A . 7 GLY N 1 1
6 1044 1 1 7 GLY O O 10.014 -1.856 0.960 1.00 . A A . 7 GLY O 1 1
6 1045 1 1 8 LEU C C 9.476 0.546 0.201 1.00 . A A . 8 LEU C 1 1
6 1046 1 1 8 LEU CA C 8.130 0.174 0.815 1.00 . A A . 8 LEU CA 1 1
6 1047 1 1 8 LEU CB C 8.077 0.587 2.293 1.00 . A A . 8 LEU CB 1 1
6 1048 1 1 8 LEU CD1 C 10.200 0.469 3.624 1.00 . A A . 8 LEU CD1 1 1
6 1049 1 1 8 LEU CD2 C 8.114 -0.584 4.509 1.00 . A A . 8 LEU CD2 1 1
6 1050 1 1 8 LEU CG C 8.916 -0.257 3.258 1.00 . A A . 8 LEU CG 1 1
6 1051 1 1 8 LEU H H 6.947 -1.547 0.475 1.00 . A A . 8 LEU H 1 1
6 1052 1 1 8 LEU HA H 7.356 0.706 0.281 1.00 . A A . 8 LEU HA 1 1
6 1053 1 1 8 LEU HB2 H 8.412 1.612 2.367 1.00 . A A . 8 LEU HB2 1 1
6 1054 1 1 8 LEU HB3 H 7.048 0.542 2.617 1.00 . A A . 8 LEU HB3 1 1
6 1055 1 1 8 LEU HD11 H 10.193 1.456 3.185 1.00 . A A . 8 LEU HD11 1 1
6 1056 1 1 8 LEU HD12 H 10.272 0.553 4.698 1.00 . A A . 8 LEU HD12 1 1
6 1057 1 1 8 LEU HD13 H 11.047 -0.086 3.249 1.00 . A A . 8 LEU HD13 1 1
6 1058 1 1 8 LEU HD21 H 7.369 0.181 4.668 1.00 . A A . 8 LEU HD21 1 1
6 1059 1 1 8 LEU HD22 H 7.628 -1.540 4.385 1.00 . A A . 8 LEU HD22 1 1
6 1060 1 1 8 LEU HD23 H 8.776 -0.625 5.361 1.00 . A A . 8 LEU HD23 1 1
6 1061 1 1 8 LEU HG H 9.185 -1.186 2.782 1.00 . A A . 8 LEU HG 1 1
6 1062 1 1 8 LEU N N 7.865 -1.253 0.657 1.00 . A A . 8 LEU N 1 1
6 1063 1 1 8 LEU O O 10.356 1.076 0.901 1.00 . A A . 8 LEU O 1 1
6 1064 1 1 9 ABA C C 12.085 0.226 -1.055 1.00 . A A . 9 AIB C 1 1
6 1065 1 1 9 ABA CA C 10.821 0.551 -1.877 1.00 . A A . 9 AIB CA 1 1
6 1066 1 1 9 ABA H H 8.845 -0.158 -1.583 1.00 . A A . 9 AIB H 1 1
6 1067 1 1 9 ABA N N 9.598 0.258 -1.115 1.00 . A A . 9 AIB N 1 1
6 1068 1 1 9 ABA O O 13.113 0.889 -1.263 1.00 . A A . 9 AIB O 1 1
6 1069 1 1 10 ABA C C 14.384 -1.426 -0.127 1.00 . A A . 10 AIB C 1 1
6 1070 1 1 10 ABA CA C 13.107 -1.196 0.709 1.00 . A A . 10 AIB CA 1 1
6 1071 1 1 10 ABA H H 11.130 -1.279 -0.012 1.00 . A A . 10 AIB H 1 1
6 1072 1 1 10 ABA N N 11.979 -0.786 -0.139 1.00 . A A . 10 AIB N 1 1
6 1073 1 1 10 ABA O O 15.471 -1.054 0.317 1.00 . A A . 10 AIB O 1 1
6 1074 1 1 11 HYP C C 16.198 -0.992 -2.571 1.00 . A A . 11 HYP C 1 1
6 1075 1 1 11 HYP CA C 15.505 -2.283 -2.136 1.00 . A A . 11 HYP CA 1 1
6 1076 1 1 11 HYP CB C 15.018 -3.062 -3.366 1.00 . A A . 11 HYP CB 1 1
6 1077 1 1 11 HYP CD C 13.120 -2.670 -2.035 1.00 . A A . 11 HYP CD 1 1
6 1078 1 1 11 HYP CG C 13.731 -3.736 -2.914 1.00 . A A . 11 HYP CG 1 1
6 1079 1 1 11 HYP HA H 16.211 -2.892 -1.591 1.00 . A A . 11 HYP HA 1 1
6 1080 1 1 11 HYP HB2 H 15.763 -3.787 -3.655 1.00 . A A . 11 HYP HB2 1 1
6 1081 1 1 11 HYP HB3 H 14.839 -2.376 -4.182 1.00 . A A . 11 HYP HB3 1 1
6 1082 1 1 11 HYP HD1 H 13.255 -5.043 -1.526 1.00 . A A . 11 HYP HD1 1 1
6 1083 1 1 11 HYP HD22 H 12.604 -1.940 -2.642 1.00 . A A . 11 HYP HD22 1 1
6 1084 1 1 11 HYP HD23 H 12.441 -3.115 -1.322 1.00 . A A . 11 HYP HD23 1 1
6 1085 1 1 11 HYP HG H 13.100 -3.873 -3.780 1.00 . A A . 11 HYP HG 1 1
6 1086 1 1 11 HYP N N 14.283 -2.050 -1.341 1.00 . A A . 11 HYP N 1 1
6 1087 1 1 11 HYP O O 17.313 -1.027 -3.091 1.00 . A A . 11 HYP O 1 1
6 1088 1 1 11 HYP OD1 O 14.002 -4.868 -2.103 1.00 . A A . 11 HYP OD1 1 1
6 1089 1 1 12 GLN C C 17.011 1.984 -1.637 1.00 . A A . 12 GLN C 1 1
6 1090 1 1 12 GLN CA C 16.116 1.434 -2.743 1.00 . A A . 12 GLN CA 1 1
6 1091 1 1 12 GLN CB C 15.009 2.448 -3.065 1.00 . A A . 12 GLN CB 1 1
6 1092 1 1 12 GLN CD C 15.493 2.653 -5.549 1.00 . A A . 12 GLN CD 1 1
6 1093 1 1 12 GLN CG C 14.451 2.361 -4.484 1.00 . A A . 12 GLN CG 1 1
6 1094 1 1 12 GLN H H 14.654 0.118 -1.945 1.00 . A A . 12 GLN H 1 1
6 1095 1 1 12 GLN HA H 16.724 1.276 -3.620 1.00 . A A . 12 GLN HA 1 1
6 1096 1 1 12 GLN HB2 H 14.192 2.297 -2.377 1.00 . A A . 12 GLN HB2 1 1
6 1097 1 1 12 GLN HB3 H 15.404 3.444 -2.921 1.00 . A A . 12 GLN HB3 1 1
6 1098 1 1 12 GLN HE21 H 14.134 3.608 -6.643 1.00 . A A . 12 GLN HE21 1 1
6 1099 1 1 12 GLN HE22 H 15.725 3.537 -7.315 1.00 . A A . 12 GLN HE22 1 1
6 1100 1 1 12 GLN HG2 H 14.051 1.371 -4.649 1.00 . A A . 12 GLN HG2 1 1
6 1101 1 1 12 GLN HG3 H 13.654 3.084 -4.580 1.00 . A A . 12 GLN HG3 1 1
6 1102 1 1 12 GLN N N 15.541 0.144 -2.361 1.00 . A A . 12 GLN N 1 1
6 1103 1 1 12 GLN NE2 N 15.076 3.335 -6.609 1.00 . A A . 12 GLN NE2 1 1
6 1104 1 1 12 GLN O O 18.073 2.560 -1.933 1.00 . A A . 12 GLN O 1 1
6 1105 1 1 12 GLN OE1 O 16.657 2.276 -5.423 1.00 . A A . 12 GLN OE1 1 1
6 1106 1 1 13 . C C 18.831 2.089 0.597 1.00 . A A . 13 DIV C 1 1
6 1107 1 1 13 . CA C 17.308 2.280 0.805 1.00 . A A . 13 DIV CA 1 1
6 1108 1 1 13 . CB1 C 16.925 3.669 1.248 1.00 . A A . 13 DIV CB1 1 1
6 1109 1 1 13 . CB2 C 16.871 1.669 2.129 1.00 . A A . 13 DIV CB2 1 1
6 1110 1 1 13 . CG1 C 17.016 4.691 0.124 1.00 . A A . 13 DIV CG1 1 1
6 1111 1 1 13 . H H 15.707 1.337 -0.239 1.00 . A A . 13 DIV H 1 1
6 1112 1 1 13 . HB11 H 17.584 3.993 2.039 1.00 . A A . 13 DIV HB11 1 1
6 1113 1 1 13 . HB12 H 15.906 3.677 1.611 1.00 . A A . 13 DIV HB12 1 1
6 1114 1 1 13 . HB21 H 17.417 2.127 2.941 1.00 . A A . 13 DIV HB21 1 1
6 1115 1 1 13 . HB22 H 17.068 0.607 2.124 1.00 . A A . 13 DIV HB22 1 1
6 1116 1 1 13 . HB23 H 15.814 1.833 2.276 1.00 . A A . 13 DIV HB23 1 1
6 1117 1 1 13 . HG11 H 16.337 4.419 -0.673 1.00 . A A . 13 DIV HG11 1 1
6 1118 1 1 13 . HG12 H 18.027 4.727 -0.259 1.00 . A A . 13 DIV HG12 1 1
6 1119 1 1 13 . HG13 H 16.745 5.665 0.506 1.00 . A A . 13 DIV HG13 1 1
6 1120 1 1 13 . N N 16.560 1.802 -0.376 1.00 . A A . 13 DIV N 1 1
6 1121 1 1 13 . O O 19.575 3.015 0.898 1.00 . A A . 13 DIV O 1 1
6 1122 1 1 14 . C C 21.682 1.749 0.314 1.00 . A A . 14 0AZ C 1 1
6 1123 1 1 14 . CA C 20.721 0.641 -0.162 1.00 . A A . 14 0AZ CA 1 1
6 1124 1 1 14 . CB C 20.922 -0.622 0.675 1.00 . A A . 14 0AZ CB 1 1
6 1125 1 1 14 . CD C 18.610 -0.432 0.065 1.00 . A A . 14 0AZ CD 1 1
6 1126 1 1 14 . CG C 19.687 -1.467 0.368 1.00 . A A . 14 0AZ CG 1 1
6 1127 1 1 14 . HA H 20.917 0.403 -1.212 1.00 . A A . 14 0AZ HA 1 1
6 1128 1 1 14 . HB2 H 20.979 -0.369 1.733 1.00 . A A . 14 0AZ HB2 1 1
6 1129 1 1 14 . HB3 H 21.830 -1.121 0.367 1.00 . A A . 14 0AZ HB3 1 1
6 1130 1 1 14 . HD1 H 19.189 -3.124 1.282 1.00 . A A . 14 0AZ HD1 1 1
6 1131 1 1 14 . HD22 H 18.178 -0.625 -0.907 1.00 . A A . 14 0AZ HD22 1 1
6 1132 1 1 14 . HD23 H 17.843 -0.471 0.822 1.00 . A A . 14 0AZ HD23 1 1
6 1133 1 1 14 . HG H 19.885 -2.026 -0.534 1.00 . A A . 14 0AZ HG 1 1
6 1134 1 1 14 . N N 19.291 0.896 0.076 1.00 . A A . 14 0AZ N 1 1
6 1135 1 1 14 . O O 22.496 1.481 1.207 1.00 . A A . 14 0AZ O 1 1
6 1136 1 1 14 . OD1 O 19.274 -2.196 1.513 1.00 . A A . 14 0AZ OD1 1 1
6 1137 1 1 15 ABA C C 23.297 3.832 1.290 1.00 . A A . 15 AIB C 1 1
6 1138 1 1 15 ABA CA C 22.423 4.119 0.051 1.00 . A A . 15 AIB CA 1 1
6 1139 1 1 15 ABA H H 20.896 3.117 -0.997 1.00 . A A . 15 AIB H 1 1
6 1140 1 1 15 ABA N N 21.568 2.970 -0.297 1.00 . A A . 15 AIB N 1 1
6 1141 1 1 15 ABA O O 24.523 3.832 1.175 1.00 . A A . 15 AIB O 1 1
6 1142 1 1 16 PRO C C 24.758 2.510 3.407 1.00 . A A . 16 PRO C 1 1
6 1143 1 1 16 PRO CA C 23.535 3.379 3.693 1.00 . A A . 16 PRO CA 1 1
6 1144 1 1 16 PRO CB C 22.596 2.674 4.669 1.00 . A A . 16 PRO CB 1 1
6 1145 1 1 16 PRO CD C 21.258 3.378 2.844 1.00 . A A . 16 PRO CD 1 1
6 1146 1 1 16 PRO CG C 21.262 3.224 4.338 1.00 . A A . 16 PRO CG 1 1
6 1147 1 1 16 PRO HA H 23.863 4.312 4.126 1.00 . A A . 16 PRO HA 1 1
6 1148 1 1 16 PRO HB2 H 22.638 1.606 4.510 1.00 . A A . 16 PRO HB2 1 1
6 1149 1 1 16 PRO HB3 H 22.879 2.908 5.685 1.00 . A A . 16 PRO HB3 1 1
6 1150 1 1 16 PRO HD2 H 20.898 2.473 2.381 1.00 . A A . 16 PRO HD2 1 1
6 1151 1 1 16 PRO HD3 H 20.649 4.221 2.553 1.00 . A A . 16 PRO HD3 1 1
6 1152 1 1 16 PRO HG2 H 20.489 2.537 4.649 1.00 . A A . 16 PRO HG2 1 1
6 1153 1 1 16 PRO HG3 H 21.130 4.185 4.814 1.00 . A A . 16 PRO HG3 1 1
6 1154 1 1 16 PRO N N 22.695 3.616 2.501 1.00 . A A . 16 PRO N 1 1
6 1155 1 1 16 PRO O O 25.821 2.712 3.996 1.00 . A A . 16 PRO O 1 1
6 1156 1 1 17 PDH C C 25.167 -0.850 2.241 1.00 . A A . 17 PDH C 1 1
6 1157 1 1 17 PDH CA C 25.749 0.615 2.150 1.00 . A A . 17 PDH CA 1 1
6 1158 1 1 17 PDH CB C 26.749 1.021 1.103 1.00 . A A . 17 PDH CB 1 1
6 1159 1 1 17 PDH CD1 C 28.547 -0.690 0.685 1.00 . A A . 17 PDH CD1 1 1
6 1160 1 1 17 PDH CD2 C 29.023 1.122 2.173 1.00 . A A . 17 PDH CD2 1 1
6 1161 1 1 17 PDH CE1 C 29.821 -1.196 0.888 1.00 . A A . 17 PDH CE1 1 1
6 1162 1 1 17 PDH CE2 C 30.298 0.623 2.381 1.00 . A A . 17 PDH CE2 1 1
6 1163 1 1 17 PDH CG C 28.134 0.473 1.324 1.00 . A A . 17 PDH CG 1 1
6 1164 1 1 17 PDH CZ C 30.698 -0.538 1.737 1.00 . A A . 17 PDH CZ 1 1
6 1165 1 1 17 PDH H1 H 24.104 -0.804 2.419 1.00 . A A . 17 PDH H1 1 1
6 1166 1 1 17 PDH H2 H 25.645 -1.374 3.055 1.00 . A A . 17 PDH H2 1 1
6 1167 1 1 17 PDH HA H 26.460 0.727 2.792 1.00 . A A . 17 PDH HA 1 1
6 1168 1 1 17 PDH HD1 H 27.864 -1.203 0.022 1.00 . A A . 17 PDH HD1 1 1
6 1169 1 1 17 PDH HD2 H 28.711 2.027 2.674 1.00 . A A . 17 PDH HD2 1 1
6 1170 1 1 17 PDH HE1 H 30.131 -2.101 0.385 1.00 . A A . 17 PDH HE1 1 1
6 1171 1 1 17 PDH HE2 H 30.980 1.137 3.043 1.00 . A A . 17 PDH HE2 1 1
6 1172 1 1 17 PDH HN H 23.735 1.426 2.074 1.00 . A A . 17 PDH HN 1 1
6 1173 1 1 17 PDH HO H 25.478 -0.950 0.309 1.00 . A A . 17 PDH HO 1 1
6 1174 1 1 17 PDH HZ H 31.692 -0.930 1.897 1.00 . A A . 17 PDH HZ 1 1
6 1175 1 1 17 PDH N N 24.606 1.543 2.510 1.00 . A A . 17 PDH N 1 1
6 1176 1 1 17 PDH O O 25.398 -1.567 1.040 1.00 . A A . 17 PDH O 1 1
7 1177 1 1 1 ACE C C 1.097 4.652 0.678 1.00 . A A . 1 ACE C 1 1
7 1178 1 1 1 ACE CH3 C 2.460 5.383 0.605 1.00 . A A . 1 ACE CH3 1 1
7 1179 1 1 1 ACE H1 H 2.889 5.467 1.593 1.00 . A A . 1 ACE H1 1 1
7 1180 1 1 1 ACE H2 H 2.320 6.377 0.197 1.00 . A A . 1 ACE H2 1 1
7 1181 1 1 1 ACE H3 H 3.138 4.835 -0.031 1.00 . A A . 1 ACE H3 1 1
7 1182 1 1 1 ACE O O 0.796 5.508 1.511 1.00 . A A . 1 ACE O 1 1
7 1183 1 1 2 PHE C C 2.472 2.244 2.940 1.00 . A A . 2 PHE C 1 1
7 1184 1 1 2 PHE CA C 1.376 3.213 2.496 1.00 . A A . 2 PHE CA 1 1
7 1185 1 1 2 PHE CB C 0.015 2.701 2.972 1.00 . A A . 2 PHE CB 1 1
7 1186 1 1 2 PHE CD1 C -2.087 3.688 3.916 1.00 . A A . 2 PHE CD1 1 1
7 1187 1 1 2 PHE CD2 C 0.004 4.486 4.735 1.00 . A A . 2 PHE CD2 1 1
7 1188 1 1 2 PHE CE1 C -2.754 4.553 4.762 1.00 . A A . 2 PHE CE1 1 1
7 1189 1 1 2 PHE CE2 C -0.656 5.354 5.584 1.00 . A A . 2 PHE CE2 1 1
7 1190 1 1 2 PHE CG C -0.703 3.644 3.893 1.00 . A A . 2 PHE CG 1 1
7 1191 1 1 2 PHE CZ C -2.038 5.388 5.597 1.00 . A A . 2 PHE CZ 1 1
7 1192 1 1 2 PHE H H 2.312 3.168 0.877 1.00 . A A . 2 PHE H 1 1
7 1193 1 1 2 PHE HA H 1.563 4.177 2.943 1.00 . A A . 2 PHE HA 1 1
7 1194 1 1 2 PHE HB2 H -0.619 2.533 2.114 1.00 . A A . 2 PHE HB2 1 1
7 1195 1 1 2 PHE HB3 H 0.153 1.767 3.497 1.00 . A A . 2 PHE HB3 1 1
7 1196 1 1 2 PHE HD1 H -2.649 3.036 3.263 1.00 . A A . 2 PHE HD1 1 1
7 1197 1 1 2 PHE HD2 H 1.085 4.461 4.726 1.00 . A A . 2 PHE HD2 1 1
7 1198 1 1 2 PHE HE1 H -3.834 4.577 4.770 1.00 . A A . 2 PHE HE1 1 1
7 1199 1 1 2 PHE HE2 H -0.093 6.006 6.236 1.00 . A A . 2 PHE HE2 1 1
7 1200 1 1 2 PHE HZ H -2.556 6.064 6.260 1.00 . A A . 2 PHE HZ 1 1
7 1201 1 1 2 PHE N N 1.369 3.383 1.041 1.00 . A A . 2 PHE N 1 1
7 1202 1 1 2 PHE O O 3.278 1.799 2.106 1.00 . A A . 2 PHE O 1 1
7 1203 1 1 3 ABA C C 3.278 -0.412 4.304 1.00 . A A . 3 AIB C 1 1
7 1204 1 1 3 ABA CA C 3.454 1.019 4.848 1.00 . A A . 3 AIB CA 1 1
7 1205 1 1 3 ABA H H 1.792 2.336 4.840 1.00 . A A . 3 AIB H 1 1
7 1206 1 1 3 ABA N N 2.471 1.936 4.257 1.00 . A A . 3 AIB N 1 1
7 1207 1 1 3 ABA O O 3.037 -1.330 5.105 1.00 . A A . 3 AIB O 1 1
7 1208 1 1 4 ABA C C 3.660 -1.805 0.811 1.00 . A A . 4 AIB C 1 1
7 1209 1 1 4 ABA CA C 3.256 -1.877 2.298 1.00 . A A . 4 AIB CA 1 1
7 1210 1 1 4 ABA H H 3.592 0.203 2.371 1.00 . A A . 4 AIB H 1 1
7 1211 1 1 4 ABA N N 3.401 -0.568 2.951 1.00 . A A . 4 AIB N 1 1
7 1212 1 1 4 ABA O O 4.196 -2.799 0.294 1.00 . A A . 4 AIB O 1 1
7 1213 1 1 5 ABA C C 4.894 -1.329 -1.692 1.00 . A A . 5 AIB C 1 1
7 1214 1 1 5 ABA CA C 3.720 -0.429 -1.259 1.00 . A A . 5 AIB CA 1 1
7 1215 1 1 5 ABA H H 2.958 0.125 0.623 1.00 . A A . 5 AIB H 1 1
7 1216 1 1 5 ABA N N 3.390 -0.631 0.158 1.00 . A A . 5 AIB N 1 1
7 1217 1 1 5 ABA O O 6.048 -0.874 -1.631 1.00 . A A . 5 AIB O 1 1
7 1218 1 1 6 . C C 6.883 -3.413 -1.725 1.00 . A A . 6 DIV C 1 1
7 1219 1 1 6 . CA C 5.595 -3.554 -2.572 1.00 . A A . 6 DIV CA 1 1
7 1220 1 1 6 . CB1 C 5.084 -4.973 -2.675 1.00 . A A . 6 DIV CB1 1 1
7 1221 1 1 6 . CB2 C 5.918 -3.453 -4.059 1.00 . A A . 6 DIV CB2 1 1
7 1222 1 1 6 . CG1 C 3.679 -5.070 -3.248 1.00 . A A . 6 DIV CG1 1 1
7 1223 1 1 6 . H H 3.634 -2.891 -2.151 1.00 . A A . 6 DIV H 1 1
7 1224 1 1 6 . HB11 H 5.058 -5.412 -1.688 1.00 . A A . 6 DIV HB11 1 1
7 1225 1 1 6 . HB12 H 5.739 -5.567 -3.300 1.00 . A A . 6 DIV HB12 1 1
7 1226 1 1 6 . HB21 H 6.444 -2.530 -4.253 1.00 . A A . 6 DIV HB21 1 1
7 1227 1 1 6 . HB22 H 5.006 -3.467 -4.635 1.00 . A A . 6 DIV HB22 1 1
7 1228 1 1 6 . HB23 H 6.540 -4.284 -4.357 1.00 . A A . 6 DIV HB23 1 1
7 1229 1 1 6 . HG11 H 2.986 -4.556 -2.597 1.00 . A A . 6 DIV HG11 1 1
7 1230 1 1 6 . HG12 H 3.395 -6.109 -3.321 1.00 . A A . 6 DIV HG12 1 1
7 1231 1 1 6 . HG13 H 3.649 -4.623 -4.232 1.00 . A A . 6 DIV HG13 1 1
7 1232 1 1 6 . N N 4.572 -2.588 -2.124 1.00 . A A . 6 DIV N 1 1
7 1233 1 1 6 . O O 7.951 -3.117 -2.261 1.00 . A A . 6 DIV O 1 1
7 1234 1 1 7 GLY C C 8.396 -2.125 0.699 1.00 . A A . 7 GLY C 1 1
7 1235 1 1 7 GLY CA C 7.935 -3.551 0.463 1.00 . A A . 7 GLY CA 1 1
7 1236 1 1 7 GLY H H 5.898 -3.892 -0.002 1.00 . A A . 7 GLY H 1 1
7 1237 1 1 7 GLY HA2 H 8.743 -4.107 0.012 1.00 . A A . 7 GLY HA2 1 1
7 1238 1 1 7 GLY HA3 H 7.696 -3.998 1.416 1.00 . A A . 7 GLY HA3 1 1
7 1239 1 1 7 GLY N N 6.768 -3.645 -0.399 1.00 . A A . 7 GLY N 1 1
7 1240 1 1 7 GLY O O 9.549 -1.897 1.064 1.00 . A A . 7 GLY O 1 1
7 1241 1 1 8 LEU C C 9.275 0.543 0.376 1.00 . A A . 8 LEU C 1 1
7 1242 1 1 8 LEU CA C 7.811 0.245 0.695 1.00 . A A . 8 LEU CA 1 1
7 1243 1 1 8 LEU CB C 7.498 0.661 2.135 1.00 . A A . 8 LEU CB 1 1
7 1244 1 1 8 LEU CD1 C 9.171 0.892 3.988 1.00 . A A . 8 LEU CD1 1 1
7 1245 1 1 8 LEU CD2 C 7.355 -0.819 4.154 1.00 . A A . 8 LEU CD2 1 1
7 1246 1 1 8 LEU CG C 8.294 -0.079 3.213 1.00 . A A . 8 LEU CG 1 1
7 1247 1 1 8 LEU H H 6.593 -1.417 0.210 1.00 . A A . 8 LEU H 1 1
7 1248 1 1 8 LEU HA H 7.189 0.819 0.024 1.00 . A A . 8 LEU HA 1 1
7 1249 1 1 8 LEU HB2 H 7.697 1.718 2.232 1.00 . A A . 8 LEU HB2 1 1
7 1250 1 1 8 LEU HB3 H 6.448 0.491 2.315 1.00 . A A . 8 LEU HB3 1 1
7 1251 1 1 8 LEU HD11 H 8.612 1.792 4.201 1.00 . A A . 8 LEU HD11 1 1
7 1252 1 1 8 LEU HD12 H 9.484 0.434 4.915 1.00 . A A . 8 LEU HD12 1 1
7 1253 1 1 8 LEU HD13 H 10.041 1.141 3.399 1.00 . A A . 8 LEU HD13 1 1
7 1254 1 1 8 LEU HD21 H 6.366 -0.854 3.722 1.00 . A A . 8 LEU HD21 1 1
7 1255 1 1 8 LEU HD22 H 7.717 -1.826 4.306 1.00 . A A . 8 LEU HD22 1 1
7 1256 1 1 8 LEU HD23 H 7.316 -0.304 5.102 1.00 . A A . 8 LEU HD23 1 1
7 1257 1 1 8 LEU HG H 8.938 -0.806 2.741 1.00 . A A . 8 LEU HG 1 1
7 1258 1 1 8 LEU N N 7.495 -1.167 0.496 1.00 . A A . 8 LEU N 1 1
7 1259 1 1 8 LEU O O 10.060 0.832 1.296 1.00 . A A . 8 LEU O 1 1
7 1260 1 1 9 ABA C C 12.026 0.092 -0.476 1.00 . A A . 9 AIB C 1 1
7 1261 1 1 9 ABA CA C 10.978 0.730 -1.410 1.00 . A A . 9 AIB CA 1 1
7 1262 1 1 9 ABA H H 8.922 0.236 -1.591 1.00 . A A . 9 AIB H 1 1
7 1263 1 1 9 ABA N N 9.611 0.468 -0.933 1.00 . A A . 9 AIB N 1 1
7 1264 1 1 9 ABA O O 13.070 0.721 -0.237 1.00 . A A . 9 AIB O 1 1
7 1265 1 1 10 ABA C C 14.010 -2.093 0.288 1.00 . A A . 10 AIB C 1 1
7 1266 1 1 10 ABA CA C 12.631 -1.859 0.941 1.00 . A A . 10 AIB CA 1 1
7 1267 1 1 10 ABA H H 10.871 -1.589 -0.184 1.00 . A A . 10 AIB H 1 1
7 1268 1 1 10 ABA N N 11.723 -1.141 0.035 1.00 . A A . 10 AIB N 1 1
7 1269 1 1 10 ABA O O 15.030 -1.923 0.956 1.00 . A A . 10 AIB O 1 1
7 1270 1 1 11 HYP C C 16.132 -1.446 -1.988 1.00 . A A . 11 HYP C 1 1
7 1271 1 1 11 HYP CA C 15.389 -2.735 -1.638 1.00 . A A . 11 HYP CA 1 1
7 1272 1 1 11 HYP CB C 15.080 -3.522 -2.922 1.00 . A A . 11 HYP CB 1 1
7 1273 1 1 11 HYP CD C 13.009 -2.943 -1.956 1.00 . A A . 11 HYP CD 1 1
7 1274 1 1 11 HYP CG C 13.663 -4.050 -2.749 1.00 . A A . 11 HYP CG 1 1
7 1275 1 1 11 HYP HA H 16.016 -3.335 -0.997 1.00 . A A . 11 HYP HA 1 1
7 1276 1 1 11 HYP HB2 H 15.790 -4.329 -3.029 1.00 . A A . 11 HYP HB2 1 1
7 1277 1 1 11 HYP HB3 H 15.151 -2.862 -3.775 1.00 . A A . 11 HYP HB3 1 1
7 1278 1 1 11 HYP HD1 H 13.300 -5.951 -2.475 1.00 . A A . 11 HYP HD1 1 1
7 1279 1 1 11 HYP HD22 H 12.712 -2.137 -2.612 1.00 . A A . 11 HYP HD22 1 1
7 1280 1 1 11 HYP HD23 H 12.155 -3.325 -1.419 1.00 . A A . 11 HYP HD23 1 1
7 1281 1 1 11 HYP HG H 13.200 -4.094 -3.724 1.00 . A A . 11 HYP HG 1 1
7 1282 1 1 11 HYP N N 14.071 -2.498 -1.018 1.00 . A A . 11 HYP N 1 1
7 1283 1 1 11 HYP O O 17.174 -1.484 -2.645 1.00 . A A . 11 HYP O 1 1
7 1284 1 1 11 HYP OD1 O 13.647 -5.223 -1.953 1.00 . A A . 11 HYP OD1 1 1
7 1285 1 1 12 GLN C C 17.171 1.387 -0.694 1.00 . A A . 12 GLN C 1 1
7 1286 1 1 12 GLN CA C 16.243 0.975 -1.833 1.00 . A A . 12 GLN CA 1 1
7 1287 1 1 12 GLN CB C 15.193 2.065 -2.068 1.00 . A A . 12 GLN CB 1 1
7 1288 1 1 12 GLN CD C 15.871 1.985 -4.501 1.00 . A A . 12 GLN CD 1 1
7 1289 1 1 12 GLN CG C 14.738 2.180 -3.514 1.00 . A A . 12 GLN CG 1 1
7 1290 1 1 12 GLN H H 14.774 -0.327 -1.032 1.00 . A A . 12 GLN H 1 1
7 1291 1 1 12 GLN HA H 16.833 0.858 -2.728 1.00 . A A . 12 GLN HA 1 1
7 1292 1 1 12 GLN HB2 H 14.329 1.853 -1.457 1.00 . A A . 12 GLN HB2 1 1
7 1293 1 1 12 GLN HB3 H 15.608 3.017 -1.769 1.00 . A A . 12 GLN HB3 1 1
7 1294 1 1 12 GLN HE21 H 16.825 3.560 -3.752 1.00 . A A . 12 GLN HE21 1 1
7 1295 1 1 12 GLN HE22 H 17.622 2.750 -5.052 1.00 . A A . 12 GLN HE22 1 1
7 1296 1 1 12 GLN HG2 H 13.985 1.428 -3.702 1.00 . A A . 12 GLN HG2 1 1
7 1297 1 1 12 GLN HG3 H 14.312 3.160 -3.666 1.00 . A A . 12 GLN HG3 1 1
7 1298 1 1 12 GLN N N 15.605 -0.307 -1.551 1.00 . A A . 12 GLN N 1 1
7 1299 1 1 12 GLN NE2 N 16.873 2.853 -4.428 1.00 . A A . 12 GLN NE2 1 1
7 1300 1 1 12 GLN O O 17.968 2.327 -0.855 1.00 . A A . 12 GLN O 1 1
7 1301 1 1 12 GLN OE1 O 15.847 1.064 -5.318 1.00 . A A . 12 GLN OE1 1 1
7 1302 1 1 13 . C C 19.316 1.311 1.226 1.00 . A A . 13 DIV C 1 1
7 1303 1 1 13 . CA C 17.872 0.934 1.640 1.00 . A A . 13 DIV CA 1 1
7 1304 1 1 13 . CB1 C 17.231 1.888 2.619 1.00 . A A . 13 DIV CB1 1 1
7 1305 1 1 13 . CB2 C 17.896 -0.197 2.659 1.00 . A A . 13 DIV CB2 1 1
7 1306 1 1 13 . CG1 C 16.820 3.201 1.973 1.00 . A A . 13 DIV CG1 1 1
7 1307 1 1 13 . H H 16.387 -0.062 0.475 1.00 . A A . 13 DIV H 1 1
7 1308 1 1 13 . HB11 H 17.929 2.116 3.412 1.00 . A A . 13 DIV HB11 1 1
7 1309 1 1 13 . HB12 H 16.343 1.444 3.050 1.00 . A A . 13 DIV HB12 1 1
7 1310 1 1 13 . HB21 H 16.892 -0.400 3.000 1.00 . A A . 13 DIV HB21 1 1
7 1311 1 1 13 . HB22 H 18.508 0.086 3.504 1.00 . A A . 13 DIV HB22 1 1
7 1312 1 1 13 . HB23 H 18.305 -1.088 2.207 1.00 . A A . 13 DIV HB23 1 1
7 1313 1 1 13 . HG11 H 16.140 3.013 1.152 1.00 . A A . 13 DIV HG11 1 1
7 1314 1 1 13 . HG12 H 17.697 3.715 1.606 1.00 . A A . 13 DIV HG12 1 1
7 1315 1 1 13 . HG13 H 16.325 3.820 2.708 1.00 . A A . 13 DIV HG13 1 1
7 1316 1 1 13 . N N 17.046 0.665 0.444 1.00 . A A . 13 DIV N 1 1
7 1317 1 1 13 . O O 19.878 2.223 1.828 1.00 . A A . 13 DIV O 1 1
7 1318 1 1 14 . C C 21.970 2.091 0.474 1.00 . A A . 14 0AZ C 1 1
7 1319 1 1 14 . CA C 21.279 0.936 -0.273 1.00 . A A . 14 0AZ CA 1 1
7 1320 1 1 14 . CB C 21.992 -0.382 0.023 1.00 . A A . 14 0AZ CB 1 1
7 1321 1 1 14 . CD C 19.642 -0.789 -0.227 1.00 . A A . 14 0AZ CD 1 1
7 1322 1 1 14 . CG C 21.000 -1.448 -0.436 1.00 . A A . 14 0AZ CG 1 1
7 1323 1 1 14 . HA H 21.303 1.118 -1.352 1.00 . A A . 14 0AZ HA 1 1
7 1324 1 1 14 . HB2 H 22.203 -0.465 1.088 1.00 . A A . 14 0AZ HB2 1 1
7 1325 1 1 14 . HB3 H 22.914 -0.431 -0.538 1.00 . A A . 14 0AZ HB3 1 1
7 1326 1 1 14 . HD1 H 21.674 -3.223 0.027 1.00 . A A . 14 0AZ HD1 1 1
7 1327 1 1 14 . HD22 H 19.079 -0.806 -1.148 1.00 . A A . 14 0AZ HD22 1 1
7 1328 1 1 14 . HD23 H 19.102 -1.314 0.545 1.00 . A A . 14 0AZ HD23 1 1
7 1329 1 1 14 . HG H 21.145 -1.598 -1.496 1.00 . A A . 14 0AZ HG 1 1
7 1330 1 1 14 . N N 19.918 0.621 0.189 1.00 . A A . 14 0AZ N 1 1
7 1331 1 1 14 . O O 22.996 1.845 1.126 1.00 . A A . 14 0AZ O 1 1
7 1332 1 1 14 . OD1 O 21.059 -2.590 0.403 1.00 . A A . 14 0AZ OD1 1 1
7 1333 1 1 15 ABA C C 23.333 4.252 1.633 1.00 . A A . 15 AIB C 1 1
7 1334 1 1 15 ABA CA C 21.942 4.526 1.025 1.00 . A A . 15 AIB CA 1 1
7 1335 1 1 15 ABA H H 20.571 3.455 -0.160 1.00 . A A . 15 AIB H 1 1
7 1336 1 1 15 ABA N N 21.391 3.330 0.365 1.00 . A A . 15 AIB N 1 1
7 1337 1 1 15 ABA O O 24.337 4.682 1.065 1.00 . A A . 15 AIB O 1 1
7 1338 1 1 16 PRO C C 25.815 3.021 2.349 1.00 . A A . 16 PRO C 1 1
7 1339 1 1 16 PRO CA C 24.739 3.289 3.395 1.00 . A A . 16 PRO CA 1 1
7 1340 1 1 16 PRO CB C 24.509 2.047 4.247 1.00 . A A . 16 PRO CB 1 1
7 1341 1 1 16 PRO CD C 22.358 2.899 3.638 1.00 . A A . 16 PRO CD 1 1
7 1342 1 1 16 PRO CG C 23.115 2.193 4.733 1.00 . A A . 16 PRO CG 1 1
7 1343 1 1 16 PRO HA H 25.052 4.108 4.027 1.00 . A A . 16 PRO HA 1 1
7 1344 1 1 16 PRO HB2 H 24.630 1.161 3.641 1.00 . A A . 16 PRO HB2 1 1
7 1345 1 1 16 PRO HB3 H 25.213 2.031 5.066 1.00 . A A . 16 PRO HB3 1 1
7 1346 1 1 16 PRO HD2 H 21.794 2.187 3.055 1.00 . A A . 16 PRO HD2 1 1
7 1347 1 1 16 PRO HD3 H 21.699 3.642 4.061 1.00 . A A . 16 PRO HD3 1 1
7 1348 1 1 16 PRO HG2 H 22.686 1.218 4.917 1.00 . A A . 16 PRO HG2 1 1
7 1349 1 1 16 PRO HG3 H 23.102 2.785 5.637 1.00 . A A . 16 PRO HG3 1 1
7 1350 1 1 16 PRO N N 23.419 3.544 2.802 1.00 . A A . 16 PRO N 1 1
7 1351 1 1 16 PRO O O 26.984 3.347 2.553 1.00 . A A . 16 PRO O 1 1
7 1352 1 1 17 PDH C C 26.669 0.551 0.218 1.00 . A A . 17 PDH C 1 1
7 1353 1 1 17 PDH CA C 26.390 2.102 0.117 1.00 . A A . 17 PDH CA 1 1
7 1354 1 1 17 PDH CB C 26.278 2.811 -1.194 1.00 . A A . 17 PDH CB 1 1
7 1355 1 1 17 PDH CD1 C 27.411 4.876 -0.311 1.00 . A A . 17 PDH CD1 1 1
7 1356 1 1 17 PDH CD2 C 25.535 5.142 -1.774 1.00 . A A . 17 PDH CD2 1 1
7 1357 1 1 17 PDH CE1 C 27.536 6.254 -0.216 1.00 . A A . 17 PDH CE1 1 1
7 1358 1 1 17 PDH CE2 C 25.655 6.521 -1.683 1.00 . A A . 17 PDH CE2 1 1
7 1359 1 1 17 PDH CG C 26.410 4.306 -1.091 1.00 . A A . 17 PDH CG 1 1
7 1360 1 1 17 PDH CZ C 26.656 7.077 -0.902 1.00 . A A . 17 PDH CZ 1 1
7 1361 1 1 17 PDH H1 H 26.075 0.031 -0.519 1.00 . A A . 17 PDH H1 1 1
7 1362 1 1 17 PDH H2 H 26.403 0.203 1.205 1.00 . A A . 17 PDH H2 1 1
7 1363 1 1 17 PDH HA H 27.212 2.594 0.244 1.00 . A A . 17 PDH HA 1 1
7 1364 1 1 17 PDH HD1 H 28.097 4.237 0.224 1.00 . A A . 17 PDH HD1 1 1
7 1365 1 1 17 PDH HD2 H 24.753 4.710 -2.382 1.00 . A A . 17 PDH HD2 1 1
7 1366 1 1 17 PDH HE1 H 28.317 6.686 0.393 1.00 . A A . 17 PDH HE1 1 1
7 1367 1 1 17 PDH HE2 H 24.970 7.160 -2.219 1.00 . A A . 17 PDH HE2 1 1
7 1368 1 1 17 PDH HN H 24.473 2.187 1.126 1.00 . A A . 17 PDH HN 1 1
7 1369 1 1 17 PDH HO H 28.185 0.137 -0.951 1.00 . A A . 17 PDH HO 1 1
7 1370 1 1 17 PDH HZ H 26.753 8.150 -0.830 1.00 . A A . 17 PDH HZ 1 1
7 1371 1 1 17 PDH N N 25.418 2.425 1.232 1.00 . A A . 17 PDH N 1 1
7 1372 1 1 17 PDH O O 28.037 0.263 -0.011 1.00 . A A . 17 PDH O 1 1
8 1373 1 1 1 ACE C C 0.494 4.746 1.477 1.00 . A A . 1 ACE C 1 1
8 1374 1 1 1 ACE CH3 C 1.682 4.702 2.461 1.00 . A A . 1 ACE CH3 1 1
8 1375 1 1 1 ACE H1 H 1.705 3.748 2.969 1.00 . A A . 1 ACE H1 1 1
8 1376 1 1 1 ACE H2 H 1.576 5.489 3.196 1.00 . A A . 1 ACE H2 1 1
8 1377 1 1 1 ACE H3 H 2.609 4.843 1.925 1.00 . A A . 1 ACE H3 1 1
8 1378 1 1 1 ACE O O -0.200 4.527 2.471 1.00 . A A . 1 ACE O 1 1
8 1379 1 1 2 PHE C C 1.230 1.565 1.524 1.00 . A A . 2 PHE C 1 1
8 1380 1 1 2 PHE CA C 0.166 2.492 0.935 1.00 . A A . 2 PHE CA 1 1
8 1381 1 1 2 PHE CB C -0.488 1.818 -0.275 1.00 . A A . 2 PHE CB 1 1
8 1382 1 1 2 PHE CD1 C -1.595 -0.407 0.048 1.00 . A A . 2 PHE CD1 1 1
8 1383 1 1 2 PHE CD2 C -2.870 1.562 0.476 1.00 . A A . 2 PHE CD2 1 1
8 1384 1 1 2 PHE CE1 C -2.683 -1.190 0.384 1.00 . A A . 2 PHE CE1 1 1
8 1385 1 1 2 PHE CE2 C -3.962 0.785 0.814 1.00 . A A . 2 PHE CE2 1 1
8 1386 1 1 2 PHE CG C -1.676 0.975 0.090 1.00 . A A . 2 PHE CG 1 1
8 1387 1 1 2 PHE CZ C -3.867 -0.592 0.769 1.00 . A A . 2 PHE CZ 1 1
8 1388 1 1 2 PHE H H 1.672 3.537 0.544 1.00 . A A . 2 PHE H 1 1
8 1389 1 1 2 PHE HA H -0.589 2.665 1.689 1.00 . A A . 2 PHE HA 1 1
8 1390 1 1 2 PHE HB2 H -0.815 2.573 -0.977 1.00 . A A . 2 PHE HB2 1 1
8 1391 1 1 2 PHE HB3 H 0.238 1.178 -0.756 1.00 . A A . 2 PHE HB3 1 1
8 1392 1 1 2 PHE HD1 H -0.668 -0.874 -0.251 1.00 . A A . 2 PHE HD1 1 1
8 1393 1 1 2 PHE HD2 H -2.945 2.640 0.513 1.00 . A A . 2 PHE HD2 1 1
8 1394 1 1 2 PHE HE1 H -2.606 -2.266 0.346 1.00 . A A . 2 PHE HE1 1 1
8 1395 1 1 2 PHE HE2 H -4.887 1.253 1.113 1.00 . A A . 2 PHE HE2 1 1
8 1396 1 1 2 PHE HZ H -4.719 -1.202 1.032 1.00 . A A . 2 PHE HZ 1 1
8 1397 1 1 2 PHE N N 0.725 3.795 0.551 1.00 . A A . 2 PHE N 1 1
8 1398 1 1 2 PHE O O 2.373 1.537 1.033 1.00 . A A . 2 PHE O 1 1
8 1399 1 1 3 ABA C C 2.088 -1.307 2.331 1.00 . A A . 3 AIB C 1 1
8 1400 1 1 3 ABA CA C 1.708 -0.133 3.256 1.00 . A A . 3 AIB CA 1 1
8 1401 1 1 3 ABA H H -0.105 0.902 2.888 1.00 . A A . 3 AIB H 1 1
8 1402 1 1 3 ABA N N 0.819 0.815 2.572 1.00 . A A . 3 AIB N 1 1
8 1403 1 1 3 ABA O O 1.709 -2.451 2.633 1.00 . A A . 3 AIB O 1 1
8 1404 1 1 4 ABA C C 4.239 -1.427 -0.777 1.00 . A A . 4 AIB C 1 1
8 1405 1 1 4 ABA CA C 3.253 -2.015 0.254 1.00 . A A . 4 AIB CA 1 1
8 1406 1 1 4 ABA H H 3.094 -0.065 1.040 1.00 . A A . 4 AIB H 1 1
8 1407 1 1 4 ABA N N 2.826 -0.994 1.222 1.00 . A A . 4 AIB N 1 1
8 1408 1 1 4 ABA O O 5.138 -2.158 -1.221 1.00 . A A . 4 AIB O 1 1
8 1409 1 1 5 ABA C C 6.302 -0.082 -2.176 1.00 . A A . 5 AIB C 1 1
8 1410 1 1 5 ABA CA C 4.907 0.570 -2.107 1.00 . A A . 5 AIB CA 1 1
8 1411 1 1 5 ABA H H 3.307 0.416 -0.747 1.00 . A A . 5 AIB H 1 1
8 1412 1 1 5 ABA N N 4.043 -0.116 -1.134 1.00 . A A . 5 AIB N 1 1
8 1413 1 1 5 ABA O O 7.207 0.375 -1.458 1.00 . A A . 5 AIB O 1 1
8 1414 1 1 6 . C C 8.484 -1.937 -1.867 1.00 . A A . 6 DIV C 1 1
8 1415 1 1 6 . CA C 7.732 -1.841 -3.217 1.00 . A A . 6 DIV CA 1 1
8 1416 1 1 6 . CB1 C 7.618 -3.131 -3.976 1.00 . A A . 6 DIV CB1 1 1
8 1417 1 1 6 . CB2 C 8.635 -1.233 -4.281 1.00 . A A . 6 DIV CB2 1 1
8 1418 1 1 6 . CG1 C 6.791 -4.178 -3.249 1.00 . A A . 6 DIV CG1 1 1
8 1419 1 1 6 . H H 5.692 -1.449 -3.595 1.00 . A A . 6 DIV H 1 1
8 1420 1 1 6 . HB11 H 8.602 -3.548 -4.140 1.00 . A A . 6 DIV HB11 1 1
8 1421 1 1 6 . HB12 H 7.148 -2.947 -4.932 1.00 . A A . 6 DIV HB12 1 1
8 1422 1 1 6 . HB21 H 8.106 -1.179 -5.221 1.00 . A A . 6 DIV HB21 1 1
8 1423 1 1 6 . HB22 H 9.517 -1.844 -4.405 1.00 . A A . 6 DIV HB22 1 1
8 1424 1 1 6 . HB23 H 8.932 -0.239 -3.982 1.00 . A A . 6 DIV HB23 1 1
8 1425 1 1 6 . HG11 H 7.262 -4.425 -2.307 1.00 . A A . 6 DIV HG11 1 1
8 1426 1 1 6 . HG12 H 6.726 -5.068 -3.859 1.00 . A A . 6 DIV HG12 1 1
8 1427 1 1 6 . HG13 H 5.794 -3.799 -3.066 1.00 . A A . 6 DIV HG13 1 1
8 1428 1 1 6 . N N 6.447 -1.133 -3.045 1.00 . A A . 6 DIV N 1 1
8 1429 1 1 6 . O O 9.569 -1.376 -1.719 1.00 . A A . 6 DIV O 1 1
8 1430 1 1 7 GLY C C 8.583 -1.474 1.158 1.00 . A A . 7 GLY C 1 1
8 1431 1 1 7 GLY CA C 8.545 -2.781 0.402 1.00 . A A . 7 GLY CA 1 1
8 1432 1 1 7 GLY H H 7.019 -3.092 -1.032 1.00 . A A . 7 GLY H 1 1
8 1433 1 1 7 GLY HA2 H 9.559 -3.118 0.243 1.00 . A A . 7 GLY HA2 1 1
8 1434 1 1 7 GLY HA3 H 8.025 -3.514 0.997 1.00 . A A . 7 GLY HA3 1 1
8 1435 1 1 7 GLY N N 7.891 -2.653 -0.888 1.00 . A A . 7 GLY N 1 1
8 1436 1 1 7 GLY O O 9.483 -1.252 1.951 1.00 . A A . 7 GLY O 1 1
8 1437 1 1 8 LEU C C 8.911 1.339 1.713 1.00 . A A . 8 LEU C 1 1
8 1438 1 1 8 LEU CA C 7.529 0.695 1.558 1.00 . A A . 8 LEU CA 1 1
8 1439 1 1 8 LEU CB C 6.825 0.594 2.921 1.00 . A A . 8 LEU CB 1 1
8 1440 1 1 8 LEU CD1 C 8.174 0.441 5.025 1.00 . A A . 8 LEU CD1 1 1
8 1441 1 1 8 LEU CD2 C 6.417 -1.273 4.549 1.00 . A A . 8 LEU CD2 1 1
8 1442 1 1 8 LEU CG C 7.465 -0.353 3.940 1.00 . A A . 8 LEU CG 1 1
8 1443 1 1 8 LEU H H 6.916 -0.848 0.247 1.00 . A A . 8 LEU H 1 1
8 1444 1 1 8 LEU HA H 6.936 1.332 0.918 1.00 . A A . 8 LEU HA 1 1
8 1445 1 1 8 LEU HB2 H 6.798 1.583 3.355 1.00 . A A . 8 LEU HB2 1 1
8 1446 1 1 8 LEU HB3 H 5.809 0.269 2.752 1.00 . A A . 8 LEU HB3 1 1
8 1447 1 1 8 LEU HD11 H 8.421 1.422 4.650 1.00 . A A . 8 LEU HD11 1 1
8 1448 1 1 8 LEU HD12 H 7.526 0.534 5.884 1.00 . A A . 8 LEU HD12 1 1
8 1449 1 1 8 LEU HD13 H 9.079 -0.073 5.312 1.00 . A A . 8 LEU HD13 1 1
8 1450 1 1 8 LEU HD21 H 5.618 -1.429 3.839 1.00 . A A . 8 LEU HD21 1 1
8 1451 1 1 8 LEU HD22 H 6.870 -2.221 4.797 1.00 . A A . 8 LEU HD22 1 1
8 1452 1 1 8 LEU HD23 H 6.017 -0.820 5.445 1.00 . A A . 8 LEU HD23 1 1
8 1453 1 1 8 LEU HG H 8.196 -0.965 3.446 1.00 . A A . 8 LEU HG 1 1
8 1454 1 1 8 LEU N N 7.605 -0.609 0.903 1.00 . A A . 8 LEU N 1 1
8 1455 1 1 8 LEU O O 9.146 2.063 2.694 1.00 . A A . 8 LEU O 1 1
8 1456 1 1 9 ABA C C 12.085 0.955 1.676 1.00 . A A . 9 AIB C 1 1
8 1457 1 1 9 ABA CA C 11.142 1.667 0.684 1.00 . A A . 9 AIB CA 1 1
8 1458 1 1 9 ABA H H 9.507 0.525 -0.043 1.00 . A A . 9 AIB H 1 1
8 1459 1 1 9 ABA N N 9.789 1.088 0.708 1.00 . A A . 9 AIB N 1 1
8 1460 1 1 9 ABA O O 13.272 1.320 1.731 1.00 . A A . 9 AIB O 1 1
8 1461 1 1 10 ABA C C 13.539 -1.488 2.762 1.00 . A A . 10 AIB C 1 1
8 1462 1 1 10 ABA CA C 12.332 -0.792 3.423 1.00 . A A . 10 AIB CA 1 1
8 1463 1 1 10 ABA H H 10.588 -0.295 2.349 1.00 . A A . 10 AIB H 1 1
8 1464 1 1 10 ABA N N 11.542 -0.042 2.437 1.00 . A A . 10 AIB N 1 1
8 1465 1 1 10 ABA O O 14.659 -1.351 3.253 1.00 . A A . 10 AIB O 1 1
8 1466 1 1 11 HYP C C 15.267 -2.013 0.074 1.00 . A A . 11 HYP C 1 1
8 1467 1 1 11 HYP CA C 14.482 -2.922 1.018 1.00 . A A . 11 HYP CA 1 1
8 1468 1 1 11 HYP CB C 13.863 -4.088 0.226 1.00 . A A . 11 HYP CB 1 1
8 1469 1 1 11 HYP CD C 12.097 -2.687 0.963 1.00 . A A . 11 HYP CD 1 1
8 1470 1 1 11 HYP CG C 12.384 -4.126 0.605 1.00 . A A . 11 HYP CG 1 1
8 1471 1 1 11 HYP HA H 15.156 -3.316 1.763 1.00 . A A . 11 HYP HA 1 1
8 1472 1 1 11 HYP HB2 H 14.359 -5.009 0.497 1.00 . A A . 11 HYP HB2 1 1
8 1473 1 1 11 HYP HB3 H 13.990 -3.909 -0.832 1.00 . A A . 11 HYP HB3 1 1
8 1474 1 1 11 HYP HD1 H 13.011 -5.249 2.094 1.00 . A A . 11 HYP HD1 1 1
8 1475 1 1 11 HYP HD22 H 11.921 -2.105 0.071 1.00 . A A . 11 HYP HD22 1 1
8 1476 1 1 11 HYP HD23 H 11.246 -2.629 1.626 1.00 . A A . 11 HYP HD23 1 1
8 1477 1 1 11 HYP HG H 11.819 -4.376 -0.281 1.00 . A A . 11 HYP HG 1 1
8 1478 1 1 11 HYP N N 13.335 -2.248 1.646 1.00 . A A . 11 HYP N 1 1
8 1479 1 1 11 HYP O O 15.900 -2.491 -0.868 1.00 . A A . 11 HYP O 1 1
8 1480 1 1 11 HYP OD1 O 12.174 -4.912 1.767 1.00 . A A . 11 HYP OD1 1 1
8 1481 1 1 12 GLN C C 17.150 0.843 0.202 1.00 . A A . 12 GLN C 1 1
8 1482 1 1 12 GLN CA C 15.947 0.242 -0.524 1.00 . A A . 12 GLN CA 1 1
8 1483 1 1 12 GLN CB C 15.004 1.351 -0.992 1.00 . A A . 12 GLN CB 1 1
8 1484 1 1 12 GLN CD C 15.041 0.503 -3.372 1.00 . A A . 12 GLN CD 1 1
8 1485 1 1 12 GLN CG C 14.183 0.973 -2.214 1.00 . A A . 12 GLN CG 1 1
8 1486 1 1 12 GLN H H 14.710 -0.372 1.084 1.00 . A A . 12 GLN H 1 1
8 1487 1 1 12 GLN HA H 16.304 -0.298 -1.388 1.00 . A A . 12 GLN HA 1 1
8 1488 1 1 12 GLN HB2 H 14.324 1.594 -0.188 1.00 . A A . 12 GLN HB2 1 1
8 1489 1 1 12 GLN HB3 H 15.589 2.227 -1.235 1.00 . A A . 12 GLN HB3 1 1
8 1490 1 1 12 GLN HE21 H 13.716 -0.916 -3.799 1.00 . A A . 12 GLN HE21 1 1
8 1491 1 1 12 GLN HE22 H 15.106 -0.854 -4.824 1.00 . A A . 12 GLN HE22 1 1
8 1492 1 1 12 GLN HG2 H 13.506 0.176 -1.945 1.00 . A A . 12 GLN HG2 1 1
8 1493 1 1 12 GLN HG3 H 13.614 1.836 -2.532 1.00 . A A . 12 GLN HG3 1 1
8 1494 1 1 12 GLN N N 15.229 -0.706 0.322 1.00 . A A . 12 GLN N 1 1
8 1495 1 1 12 GLN NE2 N 14.574 -0.526 -4.069 1.00 . A A . 12 GLN NE2 1 1
8 1496 1 1 12 GLN O O 17.869 1.669 -0.384 1.00 . A A . 12 GLN O 1 1
8 1497 1 1 12 GLN OE1 O 16.107 1.058 -3.635 1.00 . A A . 12 GLN OE1 1 1
8 1498 1 1 13 . C C 19.750 1.054 1.457 1.00 . A A . 13 DIV C 1 1
8 1499 1 1 13 . CA C 18.463 0.907 2.307 1.00 . A A . 13 DIV CA 1 1
8 1500 1 1 13 . CB1 C 18.088 2.147 3.104 1.00 . A A . 13 DIV CB1 1 1
8 1501 1 1 13 . CB2 C 18.758 0.078 3.552 1.00 . A A . 13 DIV CB2 1 1
8 1502 1 1 13 . CG1 C 17.065 3.007 2.379 1.00 . A A . 13 DIV CG1 1 1
8 1503 1 1 13 . H H 16.723 -0.236 1.860 1.00 . A A . 13 DIV H 1 1
8 1504 1 1 13 . HB11 H 18.967 2.751 3.272 1.00 . A A . 13 DIV HB11 1 1
8 1505 1 1 13 . HB12 H 17.656 1.876 4.060 1.00 . A A . 13 DIV HB12 1 1
8 1506 1 1 13 . HB21 H 19.198 -0.864 3.268 1.00 . A A . 13 DIV HB21 1 1
8 1507 1 1 13 . HB22 H 17.841 -0.109 4.090 1.00 . A A . 13 DIV HB22 1 1
8 1508 1 1 13 . HB23 H 19.446 0.611 4.193 1.00 . A A . 13 DIV HB23 1 1
8 1509 1 1 13 . HG11 H 16.856 3.885 2.971 1.00 . A A . 13 DIV HG11 1 1
8 1510 1 1 13 . HG12 H 16.151 2.445 2.238 1.00 . A A . 13 DIV HG12 1 1
8 1511 1 1 13 . HG13 H 17.454 3.311 1.416 1.00 . A A . 13 DIV HG13 1 1
8 1512 1 1 13 . N N 17.344 0.416 1.473 1.00 . A A . 13 DIV N 1 1
8 1513 1 1 13 . O O 20.408 2.086 1.577 1.00 . A A . 13 DIV O 1 1
8 1514 1 1 14 . C C 22.113 1.429 -0.114 1.00 . A A . 14 0AZ C 1 1
8 1515 1 1 14 . CA C 21.315 0.119 -0.239 1.00 . A A . 14 0AZ CA 1 1
8 1516 1 1 14 . CB C 22.127 -1.048 0.323 1.00 . A A . 14 0AZ CB 1 1
8 1517 1 1 14 . CD C 19.777 -1.417 0.686 1.00 . A A . 14 0AZ CD 1 1
8 1518 1 1 14 . CG C 21.097 -2.164 0.512 1.00 . A A . 14 0AZ CG 1 1
8 1519 1 1 14 . HA H 21.087 -0.083 -1.292 1.00 . A A . 14 0AZ HA 1 1
8 1520 1 1 14 . HB2 H 22.584 -0.766 1.271 1.00 . A A . 14 0AZ HB2 1 1
8 1521 1 1 14 . HB3 H 22.893 -1.332 -0.384 1.00 . A A . 14 0AZ HB3 1 1
8 1522 1 1 14 . HD1 H 22.153 -3.398 1.616 1.00 . A A . 14 0AZ HD1 1 1
8 1523 1 1 14 . HD22 H 19.093 -1.692 -0.105 1.00 . A A . 14 0AZ HD22 1 1
8 1524 1 1 14 . HD23 H 19.348 -1.654 1.644 1.00 . A A . 14 0AZ HD23 1 1
8 1525 1 1 14 . HG H 21.051 -2.727 -0.408 1.00 . A A . 14 0AZ HG 1 1
8 1526 1 1 14 . N N 20.113 0.033 0.599 1.00 . A A . 14 0AZ N 1 1
8 1527 1 1 14 . O O 23.274 1.380 0.320 1.00 . A A . 14 0AZ O 1 1
8 1528 1 1 14 . OD1 O 21.348 -2.882 1.710 1.00 . A A . 14 0AZ OD1 1 1
8 1529 1 1 15 ABA C C 23.629 3.790 -0.184 1.00 . A A . 15 AIB C 1 1
8 1530 1 1 15 ABA CA C 22.112 3.903 -0.441 1.00 . A A . 15 AIB CA 1 1
8 1531 1 1 15 ABA H H 20.549 2.549 -0.825 1.00 . A A . 15 AIB H 1 1
8 1532 1 1 15 ABA N N 21.472 2.579 -0.498 1.00 . A A . 15 AIB N 1 1
8 1533 1 1 15 ABA O O 24.412 3.901 -1.127 1.00 . A A . 15 AIB O 1 1
8 1534 1 1 16 PRO C C 26.273 2.765 0.228 1.00 . A A . 16 PRO C 1 1
8 1535 1 1 16 PRO CA C 25.518 3.474 1.350 1.00 . A A . 16 PRO CA 1 1
8 1536 1 1 16 PRO CB C 25.590 2.658 2.635 1.00 . A A . 16 PRO CB 1 1
8 1537 1 1 16 PRO CD C 23.324 3.397 2.381 1.00 . A A . 16 PRO CD 1 1
8 1538 1 1 16 PRO CG C 24.387 3.072 3.401 1.00 . A A . 16 PRO CG 1 1
8 1539 1 1 16 PRO HA H 25.958 4.447 1.516 1.00 . A A . 16 PRO HA 1 1
8 1540 1 1 16 PRO HB2 H 25.569 1.604 2.400 1.00 . A A . 16 PRO HB2 1 1
8 1541 1 1 16 PRO HB3 H 26.497 2.897 3.168 1.00 . A A . 16 PRO HB3 1 1
8 1542 1 1 16 PRO HD2 H 22.621 2.581 2.302 1.00 . A A . 16 PRO HD2 1 1
8 1543 1 1 16 PRO HD3 H 22.812 4.306 2.658 1.00 . A A . 16 PRO HD3 1 1
8 1544 1 1 16 PRO HG2 H 24.060 2.262 4.035 1.00 . A A . 16 PRO HG2 1 1
8 1545 1 1 16 PRO HG3 H 24.614 3.945 3.993 1.00 . A A . 16 PRO HG3 1 1
8 1546 1 1 16 PRO N N 24.074 3.576 1.095 1.00 . A A . 16 PRO N 1 1
8 1547 1 1 16 PRO O O 27.444 3.047 -0.018 1.00 . A A . 16 PRO O 1 1
8 1548 1 1 17 PDH C C 25.402 -0.273 -1.704 1.00 . A A . 17 PDH C 1 1
8 1549 1 1 17 PDH CA C 26.234 1.063 -1.583 1.00 . A A . 17 PDH CA 1 1
8 1550 1 1 17 PDH CB C 26.755 1.798 -2.788 1.00 . A A . 17 PDH CB 1 1
8 1551 1 1 17 PDH CD1 C 29.225 1.359 -2.980 1.00 . A A . 17 PDH CD1 1 1
8 1552 1 1 17 PDH CD2 C 28.510 3.542 -2.306 1.00 . A A . 17 PDH CD2 1 1
8 1553 1 1 17 PDH CE1 C 30.548 1.761 -2.891 1.00 . A A . 17 PDH CE1 1 1
8 1554 1 1 17 PDH CE2 C 29.830 3.949 -2.215 1.00 . A A . 17 PDH CE2 1 1
8 1555 1 1 17 PDH CG C 28.194 2.243 -2.689 1.00 . A A . 17 PDH CG 1 1
8 1556 1 1 17 PDH CZ C 30.851 3.058 -2.508 1.00 . A A . 17 PDH CZ 1 1
8 1557 1 1 17 PDH H1 H 24.372 -0.035 -1.920 1.00 . A A . 17 PDH H1 1 1
8 1558 1 1 17 PDH H2 H 25.457 -0.814 -0.770 1.00 . A A . 17 PDH H2 1 1
8 1559 1 1 17 PDH HA H 27.149 0.859 -1.367 1.00 . A A . 17 PDH HA 1 1
8 1560 1 1 17 PDH HD1 H 28.988 0.349 -3.280 1.00 . A A . 17 PDH HD1 1 1
8 1561 1 1 17 PDH HD2 H 27.715 4.235 -2.077 1.00 . A A . 17 PDH HD2 1 1
8 1562 1 1 17 PDH HE1 H 31.341 1.064 -3.119 1.00 . A A . 17 PDH HE1 1 1
8 1563 1 1 17 PDH HE2 H 30.065 4.960 -1.916 1.00 . A A . 17 PDH HE2 1 1
8 1564 1 1 17 PDH HN H 24.668 1.655 -0.205 1.00 . A A . 17 PDH HN 1 1
8 1565 1 1 17 PDH HO H 26.546 -1.713 -2.377 1.00 . A A . 17 PDH HO 1 1
8 1566 1 1 17 PDH HZ H 31.881 3.373 -2.437 1.00 . A A . 17 PDH HZ 1 1
8 1567 1 1 17 PDH N N 25.599 1.841 -0.447 1.00 . A A . 17 PDH N 1 1
8 1568 1 1 17 PDH O O 25.907 -1.096 -2.741 1.00 . A A . 17 PDH O 1 1
9 1569 1 1 1 ACE C C 1.691 4.747 0.897 1.00 . A A . 1 ACE C 1 1
9 1570 1 1 1 ACE CH3 C 2.542 5.685 1.786 1.00 . A A . 1 ACE CH3 1 1
9 1571 1 1 1 ACE H1 H 2.333 5.494 2.828 1.00 . A A . 1 ACE H1 1 1
9 1572 1 1 1 ACE H2 H 2.301 6.716 1.561 1.00 . A A . 1 ACE H2 1 1
9 1573 1 1 1 ACE H3 H 3.591 5.520 1.597 1.00 . A A . 1 ACE H3 1 1
9 1574 1 1 1 ACE O O 0.728 5.209 1.509 1.00 . A A . 1 ACE O 1 1
9 1575 1 1 2 PHE C C 2.313 1.812 2.920 1.00 . A A . 2 PHE C 1 1
9 1576 1 1 2 PHE CA C 1.435 2.859 2.242 1.00 . A A . 2 PHE CA 1 1
9 1577 1 1 2 PHE CB C 0.141 2.205 1.747 1.00 . A A . 2 PHE CB 1 1
9 1578 1 1 2 PHE CD1 C -1.355 1.149 3.466 1.00 . A A . 2 PHE CD1 1 1
9 1579 1 1 2 PHE CD2 C -1.678 3.453 2.946 1.00 . A A . 2 PHE CD2 1 1
9 1580 1 1 2 PHE CE1 C -2.392 1.206 4.379 1.00 . A A . 2 PHE CE1 1 1
9 1581 1 1 2 PHE CE2 C -2.717 3.517 3.857 1.00 . A A . 2 PHE CE2 1 1
9 1582 1 1 2 PHE CG C -0.987 2.271 2.740 1.00 . A A . 2 PHE CG 1 1
9 1583 1 1 2 PHE CZ C -3.074 2.392 4.575 1.00 . A A . 2 PHE CZ 1 1
9 1584 1 1 2 PHE H H 3.033 3.514 1.540 1.00 . A A . 2 PHE H 1 1
9 1585 1 1 2 PHE HA H 1.190 3.625 2.963 1.00 . A A . 2 PHE HA 1 1
9 1586 1 1 2 PHE HB2 H -0.184 2.698 0.842 1.00 . A A . 2 PHE HB2 1 1
9 1587 1 1 2 PHE HB3 H 0.335 1.164 1.533 1.00 . A A . 2 PHE HB3 1 1
9 1588 1 1 2 PHE HD1 H -0.821 0.222 3.314 1.00 . A A . 2 PHE HD1 1 1
9 1589 1 1 2 PHE HD2 H -1.401 4.334 2.386 1.00 . A A . 2 PHE HD2 1 1
9 1590 1 1 2 PHE HE1 H -2.669 0.325 4.939 1.00 . A A . 2 PHE HE1 1 1
9 1591 1 1 2 PHE HE2 H -3.248 4.445 4.008 1.00 . A A . 2 PHE HE2 1 1
9 1592 1 1 2 PHE HZ H -3.884 2.439 5.287 1.00 . A A . 2 PHE HZ 1 1
9 1593 1 1 2 PHE N N 2.140 3.497 1.131 1.00 . A A . 2 PHE N 1 1
9 1594 1 1 2 PHE O O 3.359 1.431 2.367 1.00 . A A . 2 PHE O 1 1
9 1595 1 1 3 ABA C C 2.655 -0.982 4.158 1.00 . A A . 3 AIB C 1 1
9 1596 1 1 3 ABA CA C 2.586 0.363 4.905 1.00 . A A . 3 AIB CA 1 1
9 1597 1 1 3 ABA H H 1.024 1.732 4.473 1.00 . A A . 3 AIB H 1 1
9 1598 1 1 3 ABA N N 1.862 1.371 4.117 1.00 . A A . 3 AIB N 1 1
9 1599 1 1 3 ABA O O 2.094 -1.972 4.659 1.00 . A A . 3 AIB O 1 1
9 1600 1 1 4 ABA C C 3.939 -1.852 0.728 1.00 . A A . 4 AIB C 1 1
9 1601 1 1 4 ABA CA C 3.484 -2.199 2.159 1.00 . A A . 4 AIB CA 1 1
9 1602 1 1 4 ABA H H 3.761 -0.164 2.634 1.00 . A A . 4 AIB H 1 1
9 1603 1 1 4 ABA N N 3.340 -0.988 2.976 1.00 . A A . 4 AIB N 1 1
9 1604 1 1 4 ABA O O 4.525 -2.723 0.065 1.00 . A A . 4 AIB O 1 1
9 1605 1 1 5 ABA C C 5.235 -0.914 -1.606 1.00 . A A . 5 AIB C 1 1
9 1606 1 1 5 ABA CA C 4.030 -0.123 -1.059 1.00 . A A . 5 AIB CA 1 1
9 1607 1 1 5 ABA H H 3.183 0.065 0.859 1.00 . A A . 5 AIB H 1 1
9 1608 1 1 5 ABA N N 3.655 -0.585 0.284 1.00 . A A . 5 AIB N 1 1
9 1609 1 1 5 ABA O O 6.377 -0.471 -1.403 1.00 . A A . 5 AIB O 1 1
9 1610 1 1 6 . C C 7.264 -2.915 -1.955 1.00 . A A . 6 DIV C 1 1
9 1611 1 1 6 . CA C 6.011 -2.922 -2.865 1.00 . A A . 6 DIV CA 1 1
9 1612 1 1 6 . CB1 C 5.527 -4.300 -3.252 1.00 . A A . 6 DIV CB1 1 1
9 1613 1 1 6 . CB2 C 6.411 -2.545 -4.287 1.00 . A A . 6 DIV CB2 1 1
9 1614 1 1 6 . CG1 C 4.226 -4.291 -4.040 1.00 . A A . 6 DIV CG1 1 1
9 1615 1 1 6 . H H 4.022 -2.370 -2.417 1.00 . A A . 6 DIV H 1 1
9 1616 1 1 6 . HB11 H 5.357 -4.881 -2.357 1.00 . A A . 6 DIV HB11 1 1
9 1617 1 1 6 . HB12 H 6.273 -4.799 -3.852 1.00 . A A . 6 DIV HB12 1 1
9 1618 1 1 6 . HB21 H 7.004 -3.335 -4.728 1.00 . A A . 6 DIV HB21 1 1
9 1619 1 1 6 . HB22 H 6.996 -1.638 -4.267 1.00 . A A . 6 DIV HB22 1 1
9 1620 1 1 6 . HB23 H 5.530 -2.382 -4.886 1.00 . A A . 6 DIV HB23 1 1
9 1621 1 1 6 . HG11 H 4.371 -3.775 -4.976 1.00 . A A . 6 DIV HG11 1 1
9 1622 1 1 6 . HG12 H 3.453 -3.796 -3.470 1.00 . A A . 6 DIV HG12 1 1
9 1623 1 1 6 . HG13 H 3.926 -5.310 -4.240 1.00 . A A . 6 DIV HG13 1 1
9 1624 1 1 6 . N N 4.952 -2.068 -2.288 1.00 . A A . 6 DIV N 1 1
9 1625 1 1 6 . O O 8.334 -2.472 -2.371 1.00 . A A . 6 DIV O 1 1
9 1626 1 1 7 GLY C C 8.717 -2.059 0.593 1.00 . A A . 7 GLY C 1 1
9 1627 1 1 7 GLY CA C 8.246 -3.446 0.202 1.00 . A A . 7 GLY CA 1 1
9 1628 1 1 7 GLY H H 6.242 -3.766 -0.403 1.00 . A A . 7 GLY H 1 1
9 1629 1 1 7 GLY HA2 H 9.062 -3.969 -0.274 1.00 . A A . 7 GLY HA2 1 1
9 1630 1 1 7 GLY HA3 H 7.962 -3.983 1.096 1.00 . A A . 7 GLY HA3 1 1
9 1631 1 1 7 GLY N N 7.114 -3.416 -0.709 1.00 . A A . 7 GLY N 1 1
9 1632 1 1 7 GLY O O 9.886 -1.863 0.926 1.00 . A A . 7 GLY O 1 1
9 1633 1 1 8 LEU C C 9.521 0.672 0.415 1.00 . A A . 8 LEU C 1 1
9 1634 1 1 8 LEU CA C 8.127 0.286 0.904 1.00 . A A . 8 LEU CA 1 1
9 1635 1 1 8 LEU CB C 8.026 0.498 2.418 1.00 . A A . 8 LEU CB 1 1
9 1636 1 1 8 LEU CD1 C 9.481 -1.059 3.744 1.00 . A A . 8 LEU CD1 1 1
9 1637 1 1 8 LEU CD2 C 7.121 -0.646 4.453 1.00 . A A . 8 LEU CD2 1 1
9 1638 1 1 8 LEU CG C 8.065 -0.775 3.268 1.00 . A A . 8 LEU CG 1 1
9 1639 1 1 8 LEU H H 6.889 -1.311 0.276 1.00 . A A . 8 LEU H 1 1
9 1640 1 1 8 LEU HA H 7.405 0.925 0.416 1.00 . A A . 8 LEU HA 1 1
9 1641 1 1 8 LEU HB2 H 8.841 1.135 2.726 1.00 . A A . 8 LEU HB2 1 1
9 1642 1 1 8 LEU HB3 H 7.096 1.009 2.622 1.00 . A A . 8 LEU HB3 1 1
9 1643 1 1 8 LEU HD11 H 10.057 -0.146 3.723 1.00 . A A . 8 LEU HD11 1 1
9 1644 1 1 8 LEU HD12 H 9.450 -1.443 4.754 1.00 . A A . 8 LEU HD12 1 1
9 1645 1 1 8 LEU HD13 H 9.940 -1.791 3.095 1.00 . A A . 8 LEU HD13 1 1
9 1646 1 1 8 LEU HD21 H 7.113 0.379 4.796 1.00 . A A . 8 LEU HD21 1 1
9 1647 1 1 8 LEU HD22 H 6.125 -0.933 4.154 1.00 . A A . 8 LEU HD22 1 1
9 1648 1 1 8 LEU HD23 H 7.458 -1.289 5.252 1.00 . A A . 8 LEU HD23 1 1
9 1649 1 1 8 LEU HG H 7.739 -1.613 2.671 1.00 . A A . 8 LEU HG 1 1
9 1650 1 1 8 LEU N N 7.805 -1.092 0.551 1.00 . A A . 8 LEU N 1 1
9 1651 1 1 8 LEU O O 10.310 1.250 1.183 1.00 . A A . 8 LEU O 1 1
9 1652 1 1 9 ABA C C 12.259 0.248 -0.604 1.00 . A A . 9 AIB C 1 1
9 1653 1 1 9 ABA CA C 11.076 0.651 -1.507 1.00 . A A . 9 AIB CA 1 1
9 1654 1 1 9 ABA H H 9.098 -0.105 -1.402 1.00 . A A . 9 AIB H 1 1
9 1655 1 1 9 ABA N N 9.787 0.345 -0.870 1.00 . A A . 9 AIB N 1 1
9 1656 1 1 9 ABA O O 13.325 0.876 -0.709 1.00 . A A . 9 AIB O 1 1
9 1657 1 1 10 ABA C C 14.372 -1.655 0.404 1.00 . A A . 10 AIB C 1 1
9 1658 1 1 10 ABA CA C 13.089 -1.278 1.174 1.00 . A A . 10 AIB CA 1 1
9 1659 1 1 10 ABA H H 11.173 -1.253 0.301 1.00 . A A . 10 AIB H 1 1
9 1660 1 1 10 ABA N N 12.044 -0.792 0.262 1.00 . A A . 10 AIB N 1 1
9 1661 1 1 10 ABA O O 15.470 -1.339 0.864 1.00 . A A . 10 AIB O 1 1
9 1662 1 1 11 HYP C C 16.167 -1.507 -2.171 1.00 . A A . 11 HYP C 1 1
9 1663 1 1 11 HYP CA C 15.483 -2.708 -1.520 1.00 . A A . 11 HYP CA 1 1
9 1664 1 1 11 HYP CB C 14.996 -3.683 -2.604 1.00 . A A . 11 HYP CB 1 1
9 1665 1 1 11 HYP CD C 13.083 -2.944 -1.454 1.00 . A A . 11 HYP CD 1 1
9 1666 1 1 11 HYP CG C 13.645 -4.182 -2.110 1.00 . A A . 11 HYP CG 1 1
9 1667 1 1 11 HYP HA H 16.192 -3.213 -0.879 1.00 . A A . 11 HYP HA 1 1
9 1668 1 1 11 HYP HB2 H 15.702 -4.492 -2.705 1.00 . A A . 11 HYP HB2 1 1
9 1669 1 1 11 HYP HB3 H 14.903 -3.161 -3.544 1.00 . A A . 11 HYP HB3 1 1
9 1670 1 1 11 HYP HD1 H 14.542 -4.937 -0.544 1.00 . A A . 11 HYP HD1 1 1
9 1671 1 1 11 HYP HD22 H 12.681 -2.275 -2.200 1.00 . A A . 11 HYP HD22 1 1
9 1672 1 1 11 HYP HD23 H 12.323 -3.212 -0.736 1.00 . A A . 11 HYP HD23 1 1
9 1673 1 1 11 HYP HG H 13.040 -4.424 -2.971 1.00 . A A . 11 HYP HG 1 1
9 1674 1 1 11 HYP N N 14.261 -2.338 -0.778 1.00 . A A . 11 HYP N 1 1
9 1675 1 1 11 HYP O O 17.196 -1.653 -2.831 1.00 . A A . 11 HYP O 1 1
9 1676 1 1 11 HYP OD1 O 13.802 -5.173 -1.109 1.00 . A A . 11 HYP OD1 1 1
9 1677 1 1 12 GLN C C 17.055 1.608 -1.564 1.00 . A A . 12 GLN C 1 1
9 1678 1 1 12 GLN CA C 16.157 0.895 -2.564 1.00 . A A . 12 GLN CA 1 1
9 1679 1 1 12 GLN CB C 15.040 1.829 -3.028 1.00 . A A . 12 GLN CB 1 1
9 1680 1 1 12 GLN CD C 15.291 0.959 -5.388 1.00 . A A . 12 GLN CD 1 1
9 1681 1 1 12 GLN CG C 14.328 1.345 -4.283 1.00 . A A . 12 GLN CG 1 1
9 1682 1 1 12 GLN H H 14.774 -0.266 -1.453 1.00 . A A . 12 GLN H 1 1
9 1683 1 1 12 GLN HA H 16.756 0.614 -3.416 1.00 . A A . 12 GLN HA 1 1
9 1684 1 1 12 GLN HB2 H 14.310 1.920 -2.238 1.00 . A A . 12 GLN HB2 1 1
9 1685 1 1 12 GLN HB3 H 15.459 2.803 -3.232 1.00 . A A . 12 GLN HB3 1 1
9 1686 1 1 12 GLN HE21 H 15.043 2.729 -6.259 1.00 . A A . 12 GLN HE21 1 1
9 1687 1 1 12 GLN HE22 H 16.126 1.645 -7.056 1.00 . A A . 12 GLN HE22 1 1
9 1688 1 1 12 GLN HG2 H 13.730 0.482 -4.030 1.00 . A A . 12 GLN HG2 1 1
9 1689 1 1 12 GLN HG3 H 13.685 2.135 -4.643 1.00 . A A . 12 GLN HG3 1 1
9 1690 1 1 12 GLN N N 15.594 -0.323 -1.987 1.00 . A A . 12 GLN N 1 1
9 1691 1 1 12 GLN NE2 N 15.509 1.869 -6.330 1.00 . A A . 12 GLN NE2 1 1
9 1692 1 1 12 GLN O O 17.979 2.331 -1.974 1.00 . A A . 12 GLN O 1 1
9 1693 1 1 12 GLN OE1 O 15.834 -0.145 -5.395 1.00 . A A . 12 GLN OE1 1 1
9 1694 1 1 13 . C C 19.065 1.910 0.502 1.00 . A A . 13 DIV C 1 1
9 1695 1 1 13 . CA C 17.553 1.992 0.827 1.00 . A A . 13 DIV CA 1 1
9 1696 1 1 13 . CB1 C 17.031 3.364 1.199 1.00 . A A . 13 DIV CB1 1 1
9 1697 1 1 13 . CB2 C 17.261 1.398 2.201 1.00 . A A . 13 DIV CB2 1 1
9 1698 1 1 13 . CG1 C 17.835 4.102 2.259 1.00 . A A . 13 DIV CG1 1 1
9 1699 1 1 13 . H H 16.021 0.791 -0.036 1.00 . A A . 13 DIV H 1 1
9 1700 1 1 13 . HB11 H 16.020 3.272 1.571 1.00 . A A . 13 DIV HB11 1 1
9 1701 1 1 13 . HB12 H 17.017 3.987 0.318 1.00 . A A . 13 DIV HB12 1 1
9 1702 1 1 13 . HB21 H 17.326 0.322 2.152 1.00 . A A . 13 DIV HB21 1 1
9 1703 1 1 13 . HB22 H 16.267 1.674 2.524 1.00 . A A . 13 DIV HB22 1 1
9 1704 1 1 13 . HB23 H 17.982 1.761 2.917 1.00 . A A . 13 DIV HB23 1 1
9 1705 1 1 13 . HG11 H 17.793 3.559 3.191 1.00 . A A . 13 DIV HG11 1 1
9 1706 1 1 13 . HG12 H 17.417 5.088 2.400 1.00 . A A . 13 DIV HG12 1 1
9 1707 1 1 13 . HG13 H 18.859 4.194 1.941 1.00 . A A . 13 DIV HG13 1 1
9 1708 1 1 13 . N N 16.768 1.382 -0.264 1.00 . A A . 13 DIV N 1 1
9 1709 1 1 13 . O O 19.739 2.924 0.593 1.00 . A A . 13 DIV O 1 1
9 1710 1 1 14 . C C 21.940 1.699 0.097 1.00 . A A . 14 0AZ C 1 1
9 1711 1 1 14 . CA C 21.010 0.525 -0.265 1.00 . A A . 14 0AZ CA 1 1
9 1712 1 1 14 . CB C 21.364 -0.698 0.580 1.00 . A A . 14 0AZ CB 1 1
9 1713 1 1 14 . CD C 19.002 -0.671 0.212 1.00 . A A . 14 0AZ CD 1 1
9 1714 1 1 14 . CG C 20.171 -1.630 0.388 1.00 . A A . 14 0AZ CG 1 1
9 1715 1 1 14 . HA H 21.127 0.266 -1.321 1.00 . A A . 14 0AZ HA 1 1
9 1716 1 1 14 . HB2 H 21.484 -0.415 1.625 1.00 . A A . 14 0AZ HB2 1 1
9 1717 1 1 14 . HB3 H 22.278 -1.142 0.213 1.00 . A A . 14 0AZ HB3 1 1
9 1718 1 1 14 . HD1 H 20.319 -3.267 1.445 1.00 . A A . 14 0AZ HD1 1 1
9 1719 1 1 14 . HD22 H 18.451 -0.922 -0.682 1.00 . A A . 14 0AZ HD22 1 1
9 1720 1 1 14 . HD23 H 18.353 -0.729 1.072 1.00 . A A . 14 0AZ HD23 1 1
9 1721 1 1 14 . HG H 20.314 -2.164 -0.540 1.00 . A A . 14 0AZ HG 1 1
9 1722 1 1 14 . N N 19.590 0.698 0.093 1.00 . A A . 14 0AZ N 1 1
9 1723 1 1 14 . O O 22.845 1.505 0.921 1.00 . A A . 14 0AZ O 1 1
9 1724 1 1 14 . OD1 O 19.930 -2.395 1.556 1.00 . A A . 14 0AZ OD1 1 1
9 1725 1 1 15 ABA C C 23.387 3.953 0.986 1.00 . A A . 15 AIB C 1 1
9 1726 1 1 15 ABA CA C 22.530 4.090 -0.291 1.00 . A A . 15 AIB CA 1 1
9 1727 1 1 15 ABA H H 20.973 2.977 -1.182 1.00 . A A . 15 AIB H 1 1
9 1728 1 1 15 ABA N N 21.710 2.891 -0.534 1.00 . A A . 15 AIB N 1 1
9 1729 1 1 15 ABA O O 24.608 4.085 0.908 1.00 . A A . 15 AIB O 1 1
9 1730 1 1 16 PRO C C 24.895 2.847 3.208 1.00 . A A . 16 PRO C 1 1
9 1731 1 1 16 PRO CA C 23.597 3.625 3.409 1.00 . A A . 16 PRO CA 1 1
9 1732 1 1 16 PRO CB C 22.689 2.904 4.402 1.00 . A A . 16 PRO CB 1 1
9 1733 1 1 16 PRO CD C 21.350 3.411 2.520 1.00 . A A . 16 PRO CD 1 1
9 1734 1 1 16 PRO CG C 21.330 3.344 4.019 1.00 . A A . 16 PRO CG 1 1
9 1735 1 1 16 PRO HA H 23.834 4.607 3.792 1.00 . A A . 16 PRO HA 1 1
9 1736 1 1 16 PRO HB2 H 22.808 1.835 4.296 1.00 . A A . 16 PRO HB2 1 1
9 1737 1 1 16 PRO HB3 H 22.935 3.204 5.410 1.00 . A A . 16 PRO HB3 1 1
9 1738 1 1 16 PRO HD2 H 21.057 2.460 2.105 1.00 . A A . 16 PRO HD2 1 1
9 1739 1 1 16 PRO HD3 H 20.695 4.195 2.169 1.00 . A A . 16 PRO HD3 1 1
9 1740 1 1 16 PRO HG2 H 20.599 2.625 4.358 1.00 . A A . 16 PRO HG2 1 1
9 1741 1 1 16 PRO HG3 H 21.126 4.319 4.436 1.00 . A A . 16 PRO HG3 1 1
9 1742 1 1 16 PRO N N 22.773 3.720 2.188 1.00 . A A . 16 PRO N 1 1
9 1743 1 1 16 PRO O O 25.890 3.104 3.885 1.00 . A A . 16 PRO O 1 1
9 1744 1 1 17 PDH C C 25.968 -0.238 2.902 1.00 . A A . 17 PDH C 1 1
9 1745 1 1 17 PDH CA C 26.113 1.052 2.001 1.00 . A A . 17 PDH CA 1 1
9 1746 1 1 17 PDH CB C 26.684 0.999 0.607 1.00 . A A . 17 PDH CB 1 1
9 1747 1 1 17 PDH CD1 C 27.790 3.022 -0.416 1.00 . A A . 17 PDH CD1 1 1
9 1748 1 1 17 PDH CD2 C 29.118 1.563 0.942 1.00 . A A . 17 PDH CD2 1 1
9 1749 1 1 17 PDH CE1 C 28.895 3.831 -0.632 1.00 . A A . 17 PDH CE1 1 1
9 1750 1 1 17 PDH CE2 C 30.226 2.369 0.729 1.00 . A A . 17 PDH CE2 1 1
9 1751 1 1 17 PDH CG C 27.888 1.881 0.372 1.00 . A A . 17 PDH CG 1 1
9 1752 1 1 17 PDH CZ C 30.114 3.504 -0.058 1.00 . A A . 17 PDH CZ 1 1
9 1753 1 1 17 PDH H1 H 25.065 -0.765 2.631 1.00 . A A . 17 PDH H1 1 1
9 1754 1 1 17 PDH H2 H 25.915 0.054 3.940 1.00 . A A . 17 PDH H2 1 1
9 1755 1 1 17 PDH HA H 26.901 1.538 2.258 1.00 . A A . 17 PDH HA 1 1
9 1756 1 1 17 PDH HD1 H 26.840 3.277 -0.862 1.00 . A A . 17 PDH HD1 1 1
9 1757 1 1 17 PDH HD2 H 29.206 0.679 1.556 1.00 . A A . 17 PDH HD2 1 1
9 1758 1 1 17 PDH HE1 H 28.807 4.715 -1.245 1.00 . A A . 17 PDH HE1 1 1
9 1759 1 1 17 PDH HE2 H 31.175 2.113 1.176 1.00 . A A . 17 PDH HE2 1 1
9 1760 1 1 17 PDH HN H 24.062 1.728 1.776 1.00 . A A . 17 PDH HN 1 1
9 1761 1 1 17 PDH HO H 27.885 -0.595 2.719 1.00 . A A . 17 PDH HO 1 1
9 1762 1 1 17 PDH HZ H 30.976 4.133 -0.225 1.00 . A A . 17 PDH HZ 1 1
9 1763 1 1 17 PDH N N 24.884 1.893 2.285 1.00 . A A . 17 PDH N 1 1
9 1764 1 1 17 PDH O O 27.074 -1.107 2.728 1.00 . A A . 17 PDH O 1 1
10 1765 1 1 1 ACE C C 1.255 4.480 0.209 1.00 . A A . 1 ACE C 1 1
10 1766 1 1 1 ACE CH3 C 2.316 5.566 0.494 1.00 . A A . 1 ACE CH3 1 1
10 1767 1 1 1 ACE H1 H 1.940 6.531 0.179 1.00 . A A . 1 ACE H1 1 1
10 1768 1 1 1 ACE H2 H 3.223 5.347 -0.048 1.00 . A A . 1 ACE H2 1 1
10 1769 1 1 1 ACE H3 H 2.531 5.601 1.551 1.00 . A A . 1 ACE H3 1 1
10 1770 1 1 1 ACE O O 0.519 5.160 0.924 1.00 . A A . 1 ACE O 1 1
10 1771 1 1 2 PHE C C 2.425 2.031 2.635 1.00 . A A . 2 PHE C 1 1
10 1772 1 1 2 PHE CA C 1.470 3.063 2.045 1.00 . A A . 2 PHE CA 1 1
10 1773 1 1 2 PHE CB C 0.025 2.585 2.190 1.00 . A A . 2 PHE CB 1 1
10 1774 1 1 2 PHE CD1 C -2.074 3.956 2.270 1.00 . A A . 2 PHE CD1 1 1
10 1775 1 1 2 PHE CD2 C -0.515 4.168 4.063 1.00 . A A . 2 PHE CD2 1 1
10 1776 1 1 2 PHE CE1 C -2.902 4.882 2.876 1.00 . A A . 2 PHE CE1 1 1
10 1777 1 1 2 PHE CE2 C -1.339 5.093 4.674 1.00 . A A . 2 PHE CE2 1 1
10 1778 1 1 2 PHE CG C -0.873 3.589 2.854 1.00 . A A . 2 PHE CG 1 1
10 1779 1 1 2 PHE CZ C -2.534 5.451 4.080 1.00 . A A . 2 PHE CZ 1 1
10 1780 1 1 2 PHE H H 2.755 3.386 0.743 1.00 . A A . 2 PHE H 1 1
10 1781 1 1 2 PHE HA H 1.587 3.991 2.584 1.00 . A A . 2 PHE HA 1 1
10 1782 1 1 2 PHE HB2 H -0.378 2.377 1.210 1.00 . A A . 2 PHE HB2 1 1
10 1783 1 1 2 PHE HB3 H 0.007 1.680 2.780 1.00 . A A . 2 PHE HB3 1 1
10 1784 1 1 2 PHE HD1 H -2.363 3.512 1.329 1.00 . A A . 2 PHE HD1 1 1
10 1785 1 1 2 PHE HD2 H 0.419 3.888 4.527 1.00 . A A . 2 PHE HD2 1 1
10 1786 1 1 2 PHE HE1 H -3.835 5.159 2.410 1.00 . A A . 2 PHE HE1 1 1
10 1787 1 1 2 PHE HE2 H -1.049 5.538 5.614 1.00 . A A . 2 PHE HE2 1 1
10 1788 1 1 2 PHE HZ H -3.179 6.173 4.556 1.00 . A A . 2 PHE HZ 1 1
10 1789 1 1 2 PHE N N 1.781 3.318 0.644 1.00 . A A . 2 PHE N 1 1
10 1790 1 1 2 PHE O O 3.399 1.638 1.971 1.00 . A A . 2 PHE O 1 1
10 1791 1 1 3 ABA C C 2.888 -0.751 3.907 1.00 . A A . 3 AIB C 1 1
10 1792 1 1 3 ABA CA C 2.938 0.624 4.602 1.00 . A A . 3 AIB CA 1 1
10 1793 1 1 3 ABA H H 1.331 1.982 4.333 1.00 . A A . 3 AIB H 1 1
10 1794 1 1 3 ABA N N 2.121 1.613 3.885 1.00 . A A . 3 AIB N 1 1
10 1795 1 1 3 ABA O O 2.534 -1.741 4.570 1.00 . A A . 3 AIB O 1 1
10 1796 1 1 4 ABA C C 3.936 -1.825 0.438 1.00 . A A . 4 AIB C 1 1
10 1797 1 1 4 ABA CA C 3.243 -2.025 1.802 1.00 . A A . 4 AIB CA 1 1
10 1798 1 1 4 ABA H H 3.518 0.039 2.119 1.00 . A A . 4 AIB H 1 1
10 1799 1 1 4 ABA N N 3.245 -0.782 2.585 1.00 . A A . 4 AIB N 1 1
10 1800 1 1 4 ABA O O 4.574 -2.772 -0.050 1.00 . A A . 4 AIB O 1 1
10 1801 1 1 5 ABA C C 5.650 -1.129 -1.709 1.00 . A A . 5 AIB C 1 1
10 1802 1 1 5 ABA CA C 4.401 -0.264 -1.444 1.00 . A A . 5 AIB CA 1 1
10 1803 1 1 5 ABA H H 3.272 0.123 0.288 1.00 . A A . 5 AIB H 1 1
10 1804 1 1 5 ABA N N 3.793 -0.592 -0.147 1.00 . A A . 5 AIB N 1 1
10 1805 1 1 5 ABA O O 6.748 -0.735 -1.282 1.00 . A A . 5 AIB O 1 1
10 1806 1 1 6 . C C 7.615 -3.218 -1.601 1.00 . A A . 6 DIV C 1 1
10 1807 1 1 6 . CA C 6.564 -3.209 -2.738 1.00 . A A . 6 DIV CA 1 1
10 1808 1 1 6 . CB1 C 6.106 -4.559 -3.183 1.00 . A A . 6 DIV CB1 1 1
10 1809 1 1 6 . CB2 C 7.237 -2.931 -4.075 1.00 . A A . 6 DIV CB2 1 1
10 1810 1 1 6 . CG1 C 5.336 -5.310 -2.107 1.00 . A A . 6 DIV CG1 1 1
10 1811 1 1 6 . H H 4.559 -2.552 -2.729 1.00 . A A . 6 DIV H 1 1
10 1812 1 1 6 . HB11 H 6.960 -5.163 -3.457 1.00 . A A . 6 DIV HB11 1 1
10 1813 1 1 6 . HB12 H 5.457 -4.458 -4.040 1.00 . A A . 6 DIV HB12 1 1
10 1814 1 1 6 . HB21 H 7.674 -1.944 -4.065 1.00 . A A . 6 DIV HB21 1 1
10 1815 1 1 6 . HB22 H 6.509 -2.991 -4.870 1.00 . A A . 6 DIV HB22 1 1
10 1816 1 1 6 . HB23 H 8.014 -3.661 -4.249 1.00 . A A . 6 DIV HB23 1 1
10 1817 1 1 6 . HG11 H 5.022 -6.267 -2.495 1.00 . A A . 6 DIV HG11 1 1
10 1818 1 1 6 . HG12 H 4.463 -4.741 -1.813 1.00 . A A . 6 DIV HG12 1 1
10 1819 1 1 6 . HG13 H 5.970 -5.467 -1.246 1.00 . A A . 6 DIV HG13 1 1
10 1820 1 1 6 . N N 5.455 -2.290 -2.412 1.00 . A A . 6 DIV N 1 1
10 1821 1 1 6 . O O 8.767 -2.844 -1.817 1.00 . A A . 6 DIV O 1 1
10 1822 1 1 7 GLY C C 8.465 -2.308 1.245 1.00 . A A . 7 GLY C 1 1
10 1823 1 1 7 GLY CA C 8.137 -3.693 0.716 1.00 . A A . 7 GLY CA 1 1
10 1824 1 1 7 GLY H H 6.272 -3.950 -0.247 1.00 . A A . 7 GLY H 1 1
10 1825 1 1 7 GLY HA2 H 9.051 -4.160 0.379 1.00 . A A . 7 GLY HA2 1 1
10 1826 1 1 7 GLY HA3 H 7.718 -4.290 1.516 1.00 . A A . 7 GLY HA3 1 1
10 1827 1 1 7 GLY N N 7.202 -3.654 -0.391 1.00 . A A . 7 GLY N 1 1
10 1828 1 1 7 GLY O O 9.569 -2.074 1.729 1.00 . A A . 7 GLY O 1 1
10 1829 1 1 8 LEU C C 9.134 0.458 1.367 1.00 . A A . 8 LEU C 1 1
10 1830 1 1 8 LEU CA C 7.700 -0.013 1.605 1.00 . A A . 8 LEU CA 1 1
10 1831 1 1 8 LEU CB C 7.331 0.119 3.089 1.00 . A A . 8 LEU CB 1 1
10 1832 1 1 8 LEU CD1 C 8.859 0.022 5.074 1.00 . A A . 8 LEU CD1 1 1
10 1833 1 1 8 LEU CD2 C 7.137 -1.758 4.743 1.00 . A A . 8 LEU CD2 1 1
10 1834 1 1 8 LEU CG C 8.093 -0.798 4.049 1.00 . A A . 8 LEU CG 1 1
10 1835 1 1 8 LEU H H 6.649 -1.627 0.737 1.00 . A A . 8 LEU H 1 1
10 1836 1 1 8 LEU HA H 7.038 0.616 1.029 1.00 . A A . 8 LEU HA 1 1
10 1837 1 1 8 LEU HB2 H 7.508 1.141 3.389 1.00 . A A . 8 LEU HB2 1 1
10 1838 1 1 8 LEU HB3 H 6.276 -0.089 3.193 1.00 . A A . 8 LEU HB3 1 1
10 1839 1 1 8 LEU HD11 H 8.282 0.895 5.340 1.00 . A A . 8 LEU HD11 1 1
10 1840 1 1 8 LEU HD12 H 9.034 -0.577 5.957 1.00 . A A . 8 LEU HD12 1 1
10 1841 1 1 8 LEU HD13 H 9.806 0.329 4.655 1.00 . A A . 8 LEU HD13 1 1
10 1842 1 1 8 LEU HD21 H 6.121 -1.422 4.598 1.00 . A A . 8 LEU HD21 1 1
10 1843 1 1 8 LEU HD22 H 7.253 -2.747 4.326 1.00 . A A . 8 LEU HD22 1 1
10 1844 1 1 8 LEU HD23 H 7.359 -1.784 5.800 1.00 . A A . 8 LEU HD23 1 1
10 1845 1 1 8 LEU HG H 8.805 -1.382 3.491 1.00 . A A . 8 LEU HG 1 1
10 1846 1 1 8 LEU N N 7.507 -1.385 1.143 1.00 . A A . 8 LEU N 1 1
10 1847 1 1 8 LEU O O 9.889 0.667 2.332 1.00 . A A . 8 LEU O 1 1
10 1848 1 1 9 ABA C C 11.919 0.337 0.393 1.00 . A A . 9 AIB C 1 1
10 1849 1 1 9 ABA CA C 10.799 1.092 -0.351 1.00 . A A . 9 AIB CA 1 1
10 1850 1 1 9 ABA H H 8.799 0.447 -0.626 1.00 . A A . 9 AIB H 1 1
10 1851 1 1 9 ABA N N 9.468 0.628 0.067 1.00 . A A . 9 AIB N 1 1
10 1852 1 1 9 ABA O O 13.035 0.875 0.486 1.00 . A A . 9 AIB O 1 1
10 1853 1 1 10 ABA C C 13.860 -1.922 0.809 1.00 . A A . 10 AIB C 1 1
10 1854 1 1 10 ABA CA C 12.572 -1.715 1.634 1.00 . A A . 10 AIB CA 1 1
10 1855 1 1 10 ABA H H 10.691 -1.266 0.800 1.00 . A A . 10 AIB H 1 1
10 1856 1 1 10 ABA N N 11.598 -0.891 0.904 1.00 . A A . 10 AIB N 1 1
10 1857 1 1 10 ABA O O 14.950 -1.923 1.379 1.00 . A A . 10 AIB O 1 1
10 1858 1 1 11 HYP C C 15.676 -0.952 -1.685 1.00 . A A . 11 HYP C 1 1
10 1859 1 1 11 HYP CA C 14.996 -2.274 -1.332 1.00 . A A . 11 HYP CA 1 1
10 1860 1 1 11 HYP CB C 14.546 -2.989 -2.617 1.00 . A A . 11 HYP CB 1 1
10 1861 1 1 11 HYP CD C 12.598 -2.407 -1.408 1.00 . A A . 11 HYP CD 1 1
10 1862 1 1 11 HYP CG C 13.122 -3.464 -2.352 1.00 . A A . 11 HYP CG 1 1
10 1863 1 1 11 HYP HA H 15.701 -2.901 -0.805 1.00 . A A . 11 HYP HA 1 1
10 1864 1 1 11 HYP HB2 H 15.206 -3.822 -2.814 1.00 . A A . 11 HYP HB2 1 1
10 1865 1 1 11 HYP HB3 H 14.581 -2.296 -3.444 1.00 . A A . 11 HYP HB3 1 1
10 1866 1 1 11 HYP HD1 H 13.581 -4.606 -0.828 1.00 . A A . 11 HYP HD1 1 1
10 1867 1 1 11 HYP HD22 H 12.277 -1.536 -1.959 1.00 . A A . 11 HYP HD22 1 1
10 1868 1 1 11 HYP HD23 H 11.783 -2.804 -0.822 1.00 . A A . 11 HYP HD23 1 1
10 1869 1 1 11 HYP HG H 12.571 -3.401 -3.279 1.00 . A A . 11 HYP HG 1 1
10 1870 1 1 11 HYP N N 13.764 -2.089 -0.547 1.00 . A A . 11 HYP N 1 1
10 1871 1 1 11 HYP O O 16.402 -0.867 -2.676 1.00 . A A . 11 HYP O 1 1
10 1872 1 1 11 HYP OD1 O 13.118 -4.704 -1.663 1.00 . A A . 11 HYP OD1 1 1
10 1873 1 1 12 GLN C C 17.397 1.497 -0.391 1.00 . A A . 12 GLN C 1 1
10 1874 1 1 12 GLN CA C 16.053 1.383 -1.107 1.00 . A A . 12 GLN CA 1 1
10 1875 1 1 12 GLN CB C 15.116 2.497 -0.636 1.00 . A A . 12 GLN CB 1 1
10 1876 1 1 12 GLN CD C 14.386 2.677 -3.049 1.00 . A A . 12 GLN CD 1 1
10 1877 1 1 12 GLN CG C 13.968 2.765 -1.594 1.00 . A A . 12 GLN CG 1 1
10 1878 1 1 12 GLN H H 14.867 -0.048 -0.095 1.00 . A A . 12 GLN H 1 1
10 1879 1 1 12 GLN HA H 16.210 1.488 -2.170 1.00 . A A . 12 GLN HA 1 1
10 1880 1 1 12 GLN HB2 H 14.702 2.223 0.323 1.00 . A A . 12 GLN HB2 1 1
10 1881 1 1 12 GLN HB3 H 15.685 3.408 -0.527 1.00 . A A . 12 GLN HB3 1 1
10 1882 1 1 12 GLN HE21 H 14.333 4.657 -3.214 1.00 . A A . 12 GLN HE21 1 1
10 1883 1 1 12 GLN HE22 H 14.778 3.798 -4.645 1.00 . A A . 12 GLN HE22 1 1
10 1884 1 1 12 GLN HG2 H 13.195 2.035 -1.417 1.00 . A A . 12 GLN HG2 1 1
10 1885 1 1 12 GLN HG3 H 13.580 3.754 -1.404 1.00 . A A . 12 GLN HG3 1 1
10 1886 1 1 12 GLN N N 15.447 0.076 -0.872 1.00 . A A . 12 GLN N 1 1
10 1887 1 1 12 GLN NE2 N 14.512 3.827 -3.701 1.00 . A A . 12 GLN NE2 1 1
10 1888 1 1 12 GLN O O 18.072 2.534 -0.499 1.00 . A A . 12 GLN O 1 1
10 1889 1 1 12 GLN OE1 O 14.593 1.586 -3.583 1.00 . A A . 12 GLN OE1 1 1
10 1890 1 1 13 . C C 20.136 1.131 0.362 1.00 . A A . 13 DIV C 1 1
10 1891 1 1 13 . CA C 19.019 0.355 1.103 1.00 . A A . 13 DIV CA 1 1
10 1892 1 1 13 . CB1 C 18.857 0.757 2.553 1.00 . A A . 13 DIV CB1 1 1
10 1893 1 1 13 . CB2 C 19.452 -1.065 1.446 1.00 . A A . 13 DIV CB2 1 1
10 1894 1 1 13 . CG1 C 17.505 0.357 3.125 1.00 . A A . 13 DIV CG1 1 1
10 1895 1 1 13 . H H 17.159 -0.364 0.373 1.00 . A A . 13 DIV H 1 1
10 1896 1 1 13 . HB11 H 18.936 1.831 2.637 1.00 . A A . 13 DIV HB11 1 1
10 1897 1 1 13 . HB12 H 19.625 0.303 3.165 1.00 . A A . 13 DIV HB12 1 1
10 1898 1 1 13 . HB21 H 20.399 -1.043 1.965 1.00 . A A . 13 DIV HB21 1 1
10 1899 1 1 13 . HB22 H 19.555 -1.645 0.542 1.00 . A A . 13 DIV HB22 1 1
10 1900 1 1 13 . HB23 H 18.712 -1.530 2.081 1.00 . A A . 13 DIV HB23 1 1
10 1901 1 1 13 . HG11 H 16.718 0.856 2.578 1.00 . A A . 13 DIV HG11 1 1
10 1902 1 1 13 . HG12 H 17.457 0.649 4.164 1.00 . A A . 13 DIV HG12 1 1
10 1903 1 1 13 . HG13 H 17.373 -0.713 3.050 1.00 . A A . 13 DIV HG13 1 1
10 1904 1 1 13 . N N 17.754 0.412 0.339 1.00 . A A . 13 DIV N 1 1
10 1905 1 1 13 . O O 20.900 1.821 1.035 1.00 . A A . 13 DIV O 1 1
10 1906 1 1 14 . C C 22.073 2.771 -0.947 1.00 . A A . 14 0AZ C 1 1
10 1907 1 1 14 . CA C 21.238 1.785 -1.772 1.00 . A A . 14 0AZ CA 1 1
10 1908 1 1 14 . CB C 22.110 0.641 -2.286 1.00 . A A . 14 0AZ CB 1 1
10 1909 1 1 14 . CD C 19.893 -0.164 -1.832 1.00 . A A . 14 0AZ CD 1 1
10 1910 1 1 14 . CG C 21.102 -0.420 -2.724 1.00 . A A . 14 0AZ CG 1 1
10 1911 1 1 14 . HA H 20.795 2.306 -2.624 1.00 . A A . 14 0AZ HA 1 1
10 1912 1 1 14 . HB2 H 22.758 0.273 -1.491 1.00 . A A . 14 0AZ HB2 1 1
10 1913 1 1 14 . HB3 H 22.709 0.985 -3.117 1.00 . A A . 14 0AZ HB3 1 1
10 1914 1 1 14 . HD1 H 21.810 -2.152 -3.263 1.00 . A A . 14 0AZ HD1 1 1
10 1915 1 1 14 . HD22 H 19.024 0.024 -2.443 1.00 . A A . 14 0AZ HD22 1 1
10 1916 1 1 14 . HD23 H 19.720 -1.019 -1.199 1.00 . A A . 14 0AZ HD23 1 1
10 1917 1 1 14 . HG H 20.822 -0.206 -3.745 1.00 . A A . 14 0AZ HG 1 1
10 1918 1 1 14 . N N 20.221 1.043 -1.014 1.00 . A A . 14 0AZ N 1 1
10 1919 1 1 14 . O O 23.310 2.655 -0.934 1.00 . A A . 14 0AZ O 1 1
10 1920 1 1 14 . OD1 O 21.581 -1.723 -2.436 1.00 . A A . 14 0AZ OD1 1 1
10 1921 1 1 15 ABA C C 23.182 4.118 1.401 1.00 . A A . 15 AIB C 1 1
10 1922 1 1 15 ABA CA C 22.053 4.744 0.555 1.00 . A A . 15 AIB CA 1 1
10 1923 1 1 15 ABA H H 20.405 3.762 -0.324 1.00 . A A . 15 AIB H 1 1
10 1924 1 1 15 ABA N N 21.383 3.731 -0.271 1.00 . A A . 15 AIB N 1 1
10 1925 1 1 15 ABA O O 24.351 4.242 1.037 1.00 . A A . 15 AIB O 1 1
10 1926 1 1 16 PRO C C 25.025 2.226 2.496 1.00 . A A . 16 PRO C 1 1
10 1927 1 1 16 PRO CA C 23.920 2.840 3.348 1.00 . A A . 16 PRO CA 1 1
10 1928 1 1 16 PRO CB C 23.208 1.745 4.152 1.00 . A A . 16 PRO CB 1 1
10 1929 1 1 16 PRO CD C 21.587 3.322 3.297 1.00 . A A . 16 PRO CD 1 1
10 1930 1 1 16 PRO CG C 21.742 2.034 4.058 1.00 . A A . 16 PRO CG 1 1
10 1931 1 1 16 PRO HA H 24.352 3.562 4.026 1.00 . A A . 16 PRO HA 1 1
10 1932 1 1 16 PRO HB2 H 23.441 0.780 3.727 1.00 . A A . 16 PRO HB2 1 1
10 1933 1 1 16 PRO HB3 H 23.546 1.776 5.177 1.00 . A A . 16 PRO HB3 1 1
10 1934 1 1 16 PRO HD2 H 20.743 3.262 2.624 1.00 . A A . 16 PRO HD2 1 1
10 1935 1 1 16 PRO HD3 H 21.470 4.152 3.978 1.00 . A A . 16 PRO HD3 1 1
10 1936 1 1 16 PRO HG2 H 21.246 1.232 3.533 1.00 . A A . 16 PRO HG2 1 1
10 1937 1 1 16 PRO HG3 H 21.328 2.138 5.051 1.00 . A A . 16 PRO HG3 1 1
10 1938 1 1 16 PRO N N 22.857 3.437 2.542 1.00 . A A . 16 PRO N 1 1
10 1939 1 1 16 PRO O O 26.186 2.186 2.903 1.00 . A A . 16 PRO O 1 1
10 1940 1 1 17 PDH C C 24.961 -0.242 -0.114 1.00 . A A . 17 PDH C 1 1
10 1941 1 1 17 PDH CA C 25.650 1.090 0.379 1.00 . A A . 17 PDH CA 1 1
10 1942 1 1 17 PDH CB C 26.492 1.940 -0.531 1.00 . A A . 17 PDH CB 1 1
10 1943 1 1 17 PDH CD1 C 28.958 2.246 -0.130 1.00 . A A . 17 PDH CD1 1 1
10 1944 1 1 17 PDH CD2 C 27.433 3.672 1.041 1.00 . A A . 17 PDH CD2 1 1
10 1945 1 1 17 PDH CE1 C 30.028 2.883 0.480 1.00 . A A . 17 PDH CE1 1 1
10 1946 1 1 17 PDH CE2 C 28.498 4.312 1.656 1.00 . A A . 17 PDH CE2 1 1
10 1947 1 1 17 PDH CG C 27.650 2.633 0.143 1.00 . A A . 17 PDH CG 1 1
10 1948 1 1 17 PDH CZ C 29.798 3.916 1.375 1.00 . A A . 17 PDH CZ 1 1
10 1949 1 1 17 PDH H1 H 23.889 -0.136 -0.046 1.00 . A A . 17 PDH H1 1 1
10 1950 1 1 17 PDH H2 H 25.283 -1.063 0.507 1.00 . A A . 17 PDH H2 1 1
10 1951 1 1 17 PDH HA H 26.462 0.882 0.854 1.00 . A A . 17 PDH HA 1 1
10 1952 1 1 17 PDH HD1 H 29.138 1.441 -0.826 1.00 . A A . 17 PDH HD1 1 1
10 1953 1 1 17 PDH HD2 H 26.421 3.979 1.260 1.00 . A A . 17 PDH HD2 1 1
10 1954 1 1 17 PDH HE1 H 31.039 2.573 0.260 1.00 . A A . 17 PDH HE1 1 1
10 1955 1 1 17 PDH HE2 H 28.317 5.116 2.353 1.00 . A A . 17 PDH HE2 1 1
10 1956 1 1 17 PDH HN H 23.713 1.794 1.054 1.00 . A A . 17 PDH HN 1 1
10 1957 1 1 17 PDH HO H 24.686 -0.086 -2.046 1.00 . A A . 17 PDH HO 1 1
10 1958 1 1 17 PDH HZ H 30.628 4.414 1.852 1.00 . A A . 17 PDH HZ 1 1
10 1959 1 1 17 PDH N N 24.655 1.739 1.319 1.00 . A A . 17 PDH N 1 1
10 1960 1 1 17 PDH O O 25.304 -0.525 -1.459 1.00 . A A . 17 PDH O 1 1
11 1961 1 1 1 ACE C C 1.793 5.477 0.246 1.00 . A A . 1 ACE C 1 1
11 1962 1 1 1 ACE CH3 C 2.432 6.034 1.539 1.00 . A A . 1 ACE CH3 1 1
11 1963 1 1 1 ACE H1 H 3.509 5.994 1.465 1.00 . A A . 1 ACE H1 1 1
11 1964 1 1 1 ACE H2 H 2.113 5.450 2.389 1.00 . A A . 1 ACE H2 1 1
11 1965 1 1 1 ACE H3 H 2.127 7.063 1.683 1.00 . A A . 1 ACE H3 1 1
11 1966 1 1 1 ACE O O 0.721 5.808 0.753 1.00 . A A . 1 ACE O 1 1
11 1967 1 1 2 PHE C C 1.965 2.248 1.687 1.00 . A A . 2 PHE C 1 1
11 1968 1 1 2 PHE CA C 1.227 3.287 0.844 1.00 . A A . 2 PHE CA 1 1
11 1969 1 1 2 PHE CB C 0.340 2.582 -0.185 1.00 . A A . 2 PHE CB 1 1
11 1970 1 1 2 PHE CD1 C -1.789 3.911 -0.262 1.00 . A A . 2 PHE CD1 1 1
11 1971 1 1 2 PHE CD2 C -1.857 1.709 0.651 1.00 . A A . 2 PHE CD2 1 1
11 1972 1 1 2 PHE CE1 C -3.143 4.054 -0.027 1.00 . A A . 2 PHE CE1 1 1
11 1973 1 1 2 PHE CE2 C -3.211 1.846 0.889 1.00 . A A . 2 PHE CE2 1 1
11 1974 1 1 2 PHE CG C -1.131 2.738 0.074 1.00 . A A . 2 PHE CG 1 1
11 1975 1 1 2 PHE CZ C -3.856 3.019 0.550 1.00 . A A . 2 PHE CZ 1 1
11 1976 1 1 2 PHE H H 2.950 4.011 0.733 1.00 . A A . 2 PHE H 1 1
11 1977 1 1 2 PHE HA H 0.605 3.881 1.495 1.00 . A A . 2 PHE HA 1 1
11 1978 1 1 2 PHE HB2 H 0.548 2.987 -1.164 1.00 . A A . 2 PHE HB2 1 1
11 1979 1 1 2 PHE HB3 H 0.568 1.526 -0.183 1.00 . A A . 2 PHE HB3 1 1
11 1980 1 1 2 PHE HD1 H -1.233 4.720 -0.713 1.00 . A A . 2 PHE HD1 1 1
11 1981 1 1 2 PHE HD2 H -1.354 0.791 0.918 1.00 . A A . 2 PHE HD2 1 1
11 1982 1 1 2 PHE HE1 H -3.645 4.973 -0.293 1.00 . A A . 2 PHE HE1 1 1
11 1983 1 1 2 PHE HE2 H -3.766 1.035 1.340 1.00 . A A . 2 PHE HE2 1 1
11 1984 1 1 2 PHE HZ H -4.914 3.128 0.733 1.00 . A A . 2 PHE HZ 1 1
11 1985 1 1 2 PHE N N 2.168 4.185 0.165 1.00 . A A . 2 PHE N 1 1
11 1986 1 1 2 PHE O O 3.042 1.779 1.279 1.00 . A A . 2 PHE O 1 1
11 1987 1 1 3 ABA C C 2.003 -0.467 3.141 1.00 . A A . 3 AIB C 1 1
11 1988 1 1 3 ABA CA C 1.946 0.933 3.780 1.00 . A A . 3 AIB CA 1 1
11 1989 1 1 3 ABA H H 0.518 2.343 3.093 1.00 . A A . 3 AIB H 1 1
11 1990 1 1 3 ABA N N 1.367 1.915 2.853 1.00 . A A . 3 AIB N 1 1
11 1991 1 1 3 ABA O O 1.392 -1.398 3.693 1.00 . A A . 3 AIB O 1 1
11 1992 1 1 4 ABA C C 3.768 -1.724 0.034 1.00 . A A . 4 AIB C 1 1
11 1993 1 1 4 ABA CA C 2.867 -1.863 1.277 1.00 . A A . 4 AIB CA 1 1
11 1994 1 1 4 ABA H H 3.192 0.199 1.606 1.00 . A A . 4 AIB H 1 1
11 1995 1 1 4 ABA N N 2.733 -0.586 1.990 1.00 . A A . 4 AIB N 1 1
11 1996 1 1 4 ABA O O 4.390 -2.725 -0.357 1.00 . A A . 4 AIB O 1 1
11 1997 1 1 5 ABA C C 5.780 -1.233 -1.883 1.00 . A A . 5 AIB C 1 1
11 1998 1 1 5 ABA CA C 4.623 -0.222 -1.758 1.00 . A A . 5 AIB CA 1 1
11 1999 1 1 5 ABA H H 3.289 0.269 -0.209 1.00 . A A . 5 AIB H 1 1
11 2000 1 1 5 ABA N N 3.809 -0.489 -0.562 1.00 . A A . 5 AIB N 1 1
11 2001 1 1 5 ABA O O 6.878 -0.945 -1.378 1.00 . A A . 5 AIB O 1 1
11 2002 1 1 6 . C C 7.493 -3.488 -1.538 1.00 . A A . 6 DIV C 1 1
11 2003 1 1 6 . CA C 6.527 -3.450 -2.746 1.00 . A A . 6 DIV CA 1 1
11 2004 1 1 6 . CB1 C 5.973 -4.775 -3.184 1.00 . A A . 6 DIV CB1 1 1
11 2005 1 1 6 . CB2 C 7.317 -3.299 -4.038 1.00 . A A . 6 DIV CB2 1 1
11 2006 1 1 6 . CG1 C 5.069 -5.422 -2.148 1.00 . A A . 6 DIV CG1 1 1
11 2007 1 1 6 . H H 4.615 -2.573 -2.936 1.00 . A A . 6 DIV H 1 1
11 2008 1 1 6 . HB11 H 6.784 -5.461 -3.382 1.00 . A A . 6 DIV HB11 1 1
11 2009 1 1 6 . HB12 H 5.395 -4.643 -4.086 1.00 . A A . 6 DIV HB12 1 1
11 2010 1 1 6 . HB21 H 8.014 -4.118 -4.139 1.00 . A A . 6 DIV HB21 1 1
11 2011 1 1 6 . HB22 H 7.864 -2.367 -4.027 1.00 . A A . 6 DIV HB22 1 1
11 2012 1 1 6 . HB23 H 6.642 -3.303 -4.882 1.00 . A A . 6 DIV HB23 1 1
11 2013 1 1 6 . HG11 H 4.660 -6.335 -2.556 1.00 . A A . 6 DIV HG11 1 1
11 2014 1 1 6 . HG12 H 4.259 -4.752 -1.891 1.00 . A A . 6 DIV HG12 1 1
11 2015 1 1 6 . HG13 H 5.642 -5.654 -1.263 1.00 . A A . 6 DIV HG13 1 1
11 2016 1 1 6 . N N 5.508 -2.399 -2.555 1.00 . A A . 6 DIV N 1 1
11 2017 1 1 6 . O O 8.668 -3.146 -1.667 1.00 . A A . 6 DIV O 1 1
11 2018 1 1 7 GLY C C 8.138 -2.558 1.354 1.00 . A A . 7 GLY C 1 1
11 2019 1 1 7 GLY CA C 7.818 -3.944 0.822 1.00 . A A . 7 GLY CA 1 1
11 2020 1 1 7 GLY H H 6.025 -4.160 -0.283 1.00 . A A . 7 GLY H 1 1
11 2021 1 1 7 GLY HA2 H 8.741 -4.444 0.573 1.00 . A A . 7 GLY HA2 1 1
11 2022 1 1 7 GLY HA3 H 7.311 -4.507 1.593 1.00 . A A . 7 GLY HA3 1 1
11 2023 1 1 7 GLY N N 6.975 -3.897 -0.358 1.00 . A A . 7 GLY N 1 1
11 2024 1 1 7 GLY O O 9.171 -2.357 1.994 1.00 . A A . 7 GLY O 1 1
11 2025 1 1 8 LEU C C 8.869 0.242 1.281 1.00 . A A . 8 LEU C 1 1
11 2026 1 1 8 LEU CA C 7.441 -0.229 1.540 1.00 . A A . 8 LEU CA 1 1
11 2027 1 1 8 LEU CB C 7.098 -0.099 3.027 1.00 . A A . 8 LEU CB 1 1
11 2028 1 1 8 LEU CD1 C 8.198 -1.867 4.427 1.00 . A A . 8 LEU CD1 1 1
11 2029 1 1 8 LEU CD2 C 5.801 -1.276 4.821 1.00 . A A . 8 LEU CD2 1 1
11 2030 1 1 8 LEU CG C 6.898 -1.420 3.777 1.00 . A A . 8 LEU CG 1 1
11 2031 1 1 8 LEU H H 6.450 -1.821 0.574 1.00 . A A . 8 LEU H 1 1
11 2032 1 1 8 LEU HA H 6.766 0.395 0.973 1.00 . A A . 8 LEU HA 1 1
11 2033 1 1 8 LEU HB2 H 7.893 0.449 3.512 1.00 . A A . 8 LEU HB2 1 1
11 2034 1 1 8 LEU HB3 H 6.186 0.476 3.111 1.00 . A A . 8 LEU HB3 1 1
11 2035 1 1 8 LEU HD11 H 9.034 -1.451 3.884 1.00 . A A . 8 LEU HD11 1 1
11 2036 1 1 8 LEU HD12 H 8.226 -1.521 5.450 1.00 . A A . 8 LEU HD12 1 1
11 2037 1 1 8 LEU HD13 H 8.256 -2.946 4.409 1.00 . A A . 8 LEU HD13 1 1
11 2038 1 1 8 LEU HD21 H 5.526 -0.236 4.913 1.00 . A A . 8 LEU HD21 1 1
11 2039 1 1 8 LEU HD22 H 4.938 -1.851 4.518 1.00 . A A . 8 LEU HD22 1 1
11 2040 1 1 8 LEU HD23 H 6.159 -1.640 5.773 1.00 . A A . 8 LEU HD23 1 1
11 2041 1 1 8 LEU HG H 6.594 -2.184 3.078 1.00 . A A . 8 LEU HG 1 1
11 2042 1 1 8 LEU N N 7.252 -1.601 1.088 1.00 . A A . 8 LEU N 1 1
11 2043 1 1 8 LEU O O 9.469 0.911 2.140 1.00 . A A . 8 LEU O 1 1
11 2044 1 1 9 ABA C C 11.795 -0.260 0.647 1.00 . A A . 9 AIB C 1 1
11 2045 1 1 9 ABA CA C 10.735 0.259 -0.344 1.00 . A A . 9 AIB CA 1 1
11 2046 1 1 9 ABA H H 8.826 -0.641 -0.536 1.00 . A A . 9 AIB H 1 1
11 2047 1 1 9 ABA N N 9.379 -0.116 0.080 1.00 . A A . 9 AIB N 1 1
11 2048 1 1 9 ABA O O 12.903 0.301 0.680 1.00 . A A . 9 AIB O 1 1
11 2049 1 1 10 ABA C C 13.763 -2.101 1.822 1.00 . A A . 10 AIB C 1 1
11 2050 1 1 10 ABA CA C 12.351 -1.915 2.416 1.00 . A A . 10 AIB CA 1 1
11 2051 1 1 10 ABA H H 10.537 -1.727 1.363 1.00 . A A . 10 AIB H 1 1
11 2052 1 1 10 ABA N N 11.434 -1.322 1.433 1.00 . A A . 10 AIB N 1 1
11 2053 1 1 10 ABA O O 14.750 -1.889 2.526 1.00 . A A . 10 AIB O 1 1
11 2054 1 1 11 HYP C C 15.800 -1.386 -0.613 1.00 . A A . 11 HYP C 1 1
11 2055 1 1 11 HYP CA C 15.225 -2.684 -0.051 1.00 . A A . 11 HYP CA 1 1
11 2056 1 1 11 HYP CB C 15.029 -3.708 -1.186 1.00 . A A . 11 HYP CB 1 1
11 2057 1 1 11 HYP CD C 12.893 -2.915 -0.496 1.00 . A A . 11 HYP CD 1 1
11 2058 1 1 11 HYP CG C 13.551 -4.096 -1.170 1.00 . A A . 11 HYP CG 1 1
11 2059 1 1 11 HYP HA H 15.910 -3.086 0.681 1.00 . A A . 11 HYP HA 1 1
11 2060 1 1 11 HYP HB2 H 15.660 -4.566 -1.005 1.00 . A A . 11 HYP HB2 1 1
11 2061 1 1 11 HYP HB3 H 15.302 -3.253 -2.127 1.00 . A A . 11 HYP HB3 1 1
11 2062 1 1 11 HYP HD1 H 13.519 -6.028 -0.865 1.00 . A A . 11 HYP HD1 1 1
11 2063 1 1 11 HYP HD22 H 12.720 -2.123 -1.208 1.00 . A A . 11 HYP HD22 1 1
11 2064 1 1 11 HYP HD23 H 11.967 -3.216 -0.032 1.00 . A A . 11 HYP HD23 1 1
11 2065 1 1 11 HYP HG H 13.208 -4.138 -2.194 1.00 . A A . 11 HYP HG 1 1
11 2066 1 1 11 HYP N N 13.886 -2.503 0.521 1.00 . A A . 11 HYP N 1 1
11 2067 1 1 11 HYP O O 16.527 -1.400 -1.604 1.00 . A A . 11 HYP O 1 1
11 2068 1 1 11 HYP OD1 O 13.335 -5.236 -0.355 1.00 . A A . 11 HYP OD1 1 1
11 2069 1 1 12 GLN C C 17.182 1.460 0.396 1.00 . A A . 12 GLN C 1 1
11 2070 1 1 12 GLN CA C 15.965 1.033 -0.419 1.00 . A A . 12 GLN CA 1 1
11 2071 1 1 12 GLN CB C 14.863 2.088 -0.306 1.00 . A A . 12 GLN CB 1 1
11 2072 1 1 12 GLN CD C 14.669 2.140 -2.826 1.00 . A A . 12 GLN CD 1 1
11 2073 1 1 12 GLN CG C 13.926 2.118 -1.503 1.00 . A A . 12 GLN CG 1 1
11 2074 1 1 12 GLN H H 14.891 -0.316 0.812 1.00 . A A . 12 GLN H 1 1
11 2075 1 1 12 GLN HA H 16.256 0.938 -1.455 1.00 . A A . 12 GLN HA 1 1
11 2076 1 1 12 GLN HB2 H 14.276 1.885 0.578 1.00 . A A . 12 GLN HB2 1 1
11 2077 1 1 12 GLN HB3 H 15.320 3.061 -0.209 1.00 . A A . 12 GLN HB3 1 1
11 2078 1 1 12 GLN HE21 H 14.640 4.128 -2.839 1.00 . A A . 12 GLN HE21 1 1
11 2079 1 1 12 GLN HE22 H 15.412 3.379 -4.191 1.00 . A A . 12 GLN HE22 1 1
11 2080 1 1 12 GLN HG2 H 13.299 1.240 -1.476 1.00 . A A . 12 GLN HG2 1 1
11 2081 1 1 12 GLN HG3 H 13.309 3.002 -1.439 1.00 . A A . 12 GLN HG3 1 1
11 2082 1 1 12 GLN N N 15.474 -0.266 0.025 1.00 . A A . 12 GLN N 1 1
11 2083 1 1 12 GLN NE2 N 14.934 3.336 -3.336 1.00 . A A . 12 GLN NE2 1 1
11 2084 1 1 12 GLN O O 17.907 2.385 -0.012 1.00 . A A . 12 GLN O 1 1
11 2085 1 1 12 GLN OE1 O 15.001 1.092 -3.382 1.00 . A A . 12 GLN OE1 1 1
11 2086 1 1 13 . C C 19.802 1.338 1.637 1.00 . A A . 13 DIV C 1 1
11 2087 1 1 13 . CA C 18.513 1.053 2.448 1.00 . A A . 13 DIV CA 1 1
11 2088 1 1 13 . CB1 C 18.221 2.095 3.491 1.00 . A A . 13 DIV CB1 1 1
11 2089 1 1 13 . CB2 C 18.757 -0.018 3.502 1.00 . A A . 13 DIV CB2 1 1
11 2090 1 1 13 . CG1 C 17.802 3.428 2.891 1.00 . A A . 13 DIV CG1 1 1
11 2091 1 1 13 . H H 16.754 0.053 1.780 1.00 . A A . 13 DIV H 1 1
11 2092 1 1 13 . HB11 H 19.106 2.268 4.087 1.00 . A A . 13 DIV HB11 1 1
11 2093 1 1 13 . HB12 H 17.421 1.760 4.138 1.00 . A A . 13 DIV HB12 1 1
11 2094 1 1 13 . HB21 H 18.986 -0.957 3.022 1.00 . A A . 13 DIV HB21 1 1
11 2095 1 1 13 . HB22 H 17.875 -0.137 4.113 1.00 . A A . 13 DIV HB22 1 1
11 2096 1 1 13 . HB23 H 19.588 0.272 4.130 1.00 . A A . 13 DIV HB23 1 1
11 2097 1 1 13 . HG11 H 16.892 3.301 2.319 1.00 . A A . 13 DIV HG11 1 1
11 2098 1 1 13 . HG12 H 18.585 3.804 2.245 1.00 . A A . 13 DIV HG12 1 1
11 2099 1 1 13 . HG13 H 17.626 4.137 3.685 1.00 . A A . 13 DIV HG13 1 1
11 2100 1 1 13 . N N 17.382 0.769 1.541 1.00 . A A . 13 DIV N 1 1
11 2101 1 1 13 . O O 20.524 2.259 2.010 1.00 . A A . 13 DIV O 1 1
11 2102 1 1 14 . C C 22.129 2.015 0.125 1.00 . A A . 14 0AZ C 1 1
11 2103 1 1 14 . CA C 21.281 0.804 -0.296 1.00 . A A . 14 0AZ CA 1 1
11 2104 1 1 14 . CB C 22.052 -0.493 -0.056 1.00 . A A . 14 0AZ CB 1 1
11 2105 1 1 14 . CD C 19.713 -0.868 0.324 1.00 . A A . 14 0AZ CD 1 1
11 2106 1 1 14 . CG C 20.981 -1.579 -0.132 1.00 . A A . 14 0AZ CG 1 1
11 2107 1 1 14 . HA H 21.027 0.878 -1.357 1.00 . A A . 14 0AZ HA 1 1
11 2108 1 1 14 . HB2 H 22.530 -0.473 0.923 1.00 . A A . 14 0AZ HB2 1 1
11 2109 1 1 14 . HB3 H 22.800 -0.618 -0.826 1.00 . A A . 14 0AZ HB3 1 1
11 2110 1 1 14 . HD1 H 21.122 -3.467 0.363 1.00 . A A . 14 0AZ HD1 1 1
11 2111 1 1 14 . HD22 H 18.949 -0.954 -0.434 1.00 . A A . 14 0AZ HD22 1 1
11 2112 1 1 14 . HD23 H 19.365 -1.305 1.247 1.00 . A A . 14 0AZ HD23 1 1
11 2113 1 1 14 . HG H 20.862 -1.852 -1.170 1.00 . A A . 14 0AZ HG 1 1
11 2114 1 1 14 . N N 20.085 0.566 0.527 1.00 . A A . 14 0AZ N 1 1
11 2115 1 1 14 . O O 23.304 1.828 0.471 1.00 . A A . 14 0AZ O 1 1
11 2116 1 1 14 . OD1 O 21.250 -2.620 0.794 1.00 . A A . 14 0AZ OD1 1 1
11 2117 1 1 15 ABA C C 23.718 4.289 0.574 1.00 . A A . 15 AIB C 1 1
11 2118 1 1 15 ABA CA C 22.192 4.485 0.467 1.00 . A A . 15 AIB CA 1 1
11 2119 1 1 15 ABA H H 20.571 3.309 -0.187 1.00 . A A . 15 AIB H 1 1
11 2120 1 1 15 ABA N N 21.509 3.237 0.089 1.00 . A A . 15 AIB N 1 1
11 2121 1 1 15 ABA O O 24.444 4.694 -0.334 1.00 . A A . 15 AIB O 1 1
11 2122 1 1 16 PRO C C 26.372 3.237 0.482 1.00 . A A . 16 PRO C 1 1
11 2123 1 1 16 PRO CA C 25.682 3.494 1.818 1.00 . A A . 16 PRO CA 1 1
11 2124 1 1 16 PRO CB C 25.796 2.271 2.716 1.00 . A A . 16 PRO CB 1 1
11 2125 1 1 16 PRO CD C 23.542 3.062 2.867 1.00 . A A . 16 PRO CD 1 1
11 2126 1 1 16 PRO CG C 24.646 2.394 3.647 1.00 . A A . 16 PRO CG 1 1
11 2127 1 1 16 PRO HA H 26.146 4.341 2.301 1.00 . A A . 16 PRO HA 1 1
11 2128 1 1 16 PRO HB2 H 25.729 1.373 2.117 1.00 . A A . 16 PRO HB2 1 1
11 2129 1 1 16 PRO HB3 H 26.737 2.293 3.244 1.00 . A A . 16 PRO HB3 1 1
11 2130 1 1 16 PRO HD2 H 22.817 2.329 2.544 1.00 . A A . 16 PRO HD2 1 1
11 2131 1 1 16 PRO HD3 H 23.064 3.819 3.471 1.00 . A A . 16 PRO HD3 1 1
11 2132 1 1 16 PRO HG2 H 24.334 1.414 3.974 1.00 . A A . 16 PRO HG2 1 1
11 2133 1 1 16 PRO HG3 H 24.925 3.002 4.494 1.00 . A A . 16 PRO HG3 1 1
11 2134 1 1 16 PRO N N 24.230 3.680 1.689 1.00 . A A . 16 PRO N 1 1
11 2135 1 1 16 PRO O O 27.527 3.618 0.289 1.00 . A A . 16 PRO O 1 1
11 2136 1 1 17 PDH C C 26.073 0.714 -1.991 1.00 . A A . 17 PDH C 1 1
11 2137 1 1 17 PDH CA C 26.245 2.272 -1.801 1.00 . A A . 17 PDH CA 1 1
11 2138 1 1 17 PDH CB C 26.064 3.245 -2.934 1.00 . A A . 17 PDH CB 1 1
11 2139 1 1 17 PDH CD1 C 27.951 2.479 -4.422 1.00 . A A . 17 PDH CD1 1 1
11 2140 1 1 17 PDH CD2 C 27.826 4.798 -3.842 1.00 . A A . 17 PDH CD2 1 1
11 2141 1 1 17 PDH CE1 C 29.092 2.724 -5.172 1.00 . A A . 17 PDH CE1 1 1
11 2142 1 1 17 PDH CE2 C 28.966 5.049 -4.590 1.00 . A A . 17 PDH CE2 1 1
11 2143 1 1 17 PDH CG C 27.307 3.512 -3.750 1.00 . A A . 17 PDH CG 1 1
11 2144 1 1 17 PDH CZ C 29.599 4.012 -5.255 1.00 . A A . 17 PDH CZ 1 1
11 2145 1 1 17 PDH H1 H 25.140 0.399 -1.548 1.00 . A A . 17 PDH H1 1 1
11 2146 1 1 17 PDH H2 H 26.893 0.202 -1.507 1.00 . A A . 17 PDH H2 1 1
11 2147 1 1 17 PDH HA H 27.179 2.506 -1.810 1.00 . A A . 17 PDH HA 1 1
11 2148 1 1 17 PDH HD1 H 27.555 1.476 -4.357 1.00 . A A . 17 PDH HD1 1 1
11 2149 1 1 17 PDH HD2 H 27.335 5.608 -3.324 1.00 . A A . 17 PDH HD2 1 1
11 2150 1 1 17 PDH HE1 H 29.585 1.914 -5.689 1.00 . A A . 17 PDH HE1 1 1
11 2151 1 1 17 PDH HE2 H 29.361 6.053 -4.653 1.00 . A A . 17 PDH HE2 1 1
11 2152 1 1 17 PDH HN H 24.750 2.306 -0.227 1.00 . A A . 17 PDH HN 1 1
11 2153 1 1 17 PDH HO H 25.353 0.833 -3.809 1.00 . A A . 17 PDH HO 1 1
11 2154 1 1 17 PDH HZ H 30.487 4.206 -5.838 1.00 . A A . 17 PDH HZ 1 1
11 2155 1 1 17 PDH N N 25.664 2.588 -0.436 1.00 . A A . 17 PDH N 1 1
11 2156 1 1 17 PDH O O 26.066 0.366 -3.365 1.00 . A A . 17 PDH O 1 1
12 2157 1 1 1 ACE C C 2.955 3.977 -0.917 1.00 . A A . 1 ACE C 1 1
12 2158 1 1 1 ACE CH3 C 3.532 5.255 -0.258 1.00 . A A . 1 ACE CH3 1 1
12 2159 1 1 1 ACE H1 H 3.305 6.119 -0.871 1.00 . A A . 1 ACE H1 1 1
12 2160 1 1 1 ACE H2 H 4.604 5.167 -0.160 1.00 . A A . 1 ACE H2 1 1
12 2161 1 1 1 ACE H3 H 3.095 5.394 0.719 1.00 . A A . 1 ACE H3 1 1
12 2162 1 1 1 ACE O O 1.886 4.590 -0.941 1.00 . A A . 1 ACE O 1 1
12 2163 1 1 2 PHE C C 2.459 1.899 2.054 1.00 . A A . 2 PHE C 1 1
12 2164 1 1 2 PHE CA C 2.076 2.836 0.912 1.00 . A A . 2 PHE CA 1 1
12 2165 1 1 2 PHE CB C 0.831 2.305 0.204 1.00 . A A . 2 PHE CB 1 1
12 2166 1 1 2 PHE CD1 C -0.491 4.350 0.801 1.00 . A A . 2 PHE CD1 1 1
12 2167 1 1 2 PHE CD2 C -1.578 2.231 0.911 1.00 . A A . 2 PHE CD2 1 1
12 2168 1 1 2 PHE CE1 C -1.654 4.973 1.211 1.00 . A A . 2 PHE CE1 1 1
12 2169 1 1 2 PHE CE2 C -2.745 2.848 1.322 1.00 . A A . 2 PHE CE2 1 1
12 2170 1 1 2 PHE CG C -0.438 2.975 0.646 1.00 . A A . 2 PHE CG 1 1
12 2171 1 1 2 PHE CZ C -2.782 4.220 1.472 1.00 . A A . 2 PHE CZ 1 1
12 2172 1 1 2 PHE H H 3.869 3.227 0.615 1.00 . A A . 2 PHE H 1 1
12 2173 1 1 2 PHE HA H 1.859 3.811 1.321 1.00 . A A . 2 PHE HA 1 1
12 2174 1 1 2 PHE HB2 H 0.935 2.458 -0.859 1.00 . A A . 2 PHE HB2 1 1
12 2175 1 1 2 PHE HB3 H 0.736 1.246 0.403 1.00 . A A . 2 PHE HB3 1 1
12 2176 1 1 2 PHE HD1 H 0.391 4.940 0.596 1.00 . A A . 2 PHE HD1 1 1
12 2177 1 1 2 PHE HD2 H -1.548 1.158 0.793 1.00 . A A . 2 PHE HD2 1 1
12 2178 1 1 2 PHE HE1 H -1.681 6.045 1.328 1.00 . A A . 2 PHE HE1 1 1
12 2179 1 1 2 PHE HE2 H -3.626 2.256 1.525 1.00 . A A . 2 PHE HE2 1 1
12 2180 1 1 2 PHE HZ H -3.693 4.704 1.793 1.00 . A A . 2 PHE HZ 1 1
12 2181 1 1 2 PHE N N 3.177 2.982 -0.035 1.00 . A A . 2 PHE N 1 1
12 2182 1 1 2 PHE O O 3.642 1.540 2.190 1.00 . A A . 2 PHE O 1 1
12 2183 1 1 3 ABA C C 2.040 -0.793 3.533 1.00 . A A . 3 AIB C 1 1
12 2184 1 1 3 ABA CA C 1.630 0.617 4.001 1.00 . A A . 3 AIB CA 1 1
12 2185 1 1 3 ABA H H 0.533 1.852 2.671 1.00 . A A . 3 AIB H 1 1
12 2186 1 1 3 ABA N N 1.436 1.518 2.856 1.00 . A A . 3 AIB N 1 1
12 2187 1 1 3 ABA O O 1.292 -1.750 3.799 1.00 . A A . 3 AIB O 1 1
12 2188 1 1 4 ABA C C 4.693 -1.956 1.159 1.00 . A A . 4 AIB C 1 1
12 2189 1 1 4 ABA CA C 3.726 -2.171 2.339 1.00 . A A . 4 AIB CA 1 1
12 2190 1 1 4 ABA H H 3.762 -0.089 2.664 1.00 . A A . 4 AIB H 1 1
12 2191 1 1 4 ABA N N 3.217 -0.889 2.845 1.00 . A A . 4 AIB N 1 1
12 2192 1 1 4 ABA O O 5.504 -2.857 0.901 1.00 . A A . 4 AIB O 1 1
12 2193 1 1 5 ABA C C 6.657 -1.355 -0.758 1.00 . A A . 5 AIB C 1 1
12 2194 1 1 5 ABA CA C 5.430 -0.425 -0.667 1.00 . A A . 5 AIB CA 1 1
12 2195 1 1 5 ABA H H 3.905 -0.094 0.742 1.00 . A A . 5 AIB H 1 1
12 2196 1 1 5 ABA N N 4.576 -0.768 0.480 1.00 . A A . 5 AIB N 1 1
12 2197 1 1 5 ABA O O 7.752 -0.933 -0.351 1.00 . A A . 5 AIB O 1 1
12 2198 1 1 6 . C C 8.584 -3.403 -0.304 1.00 . A A . 6 DIV C 1 1
12 2199 1 1 6 . CA C 7.536 -3.591 -1.430 1.00 . A A . 6 DIV CA 1 1
12 2200 1 1 6 . CB1 C 7.041 -5.012 -1.608 1.00 . A A . 6 DIV CB1 1 1
12 2201 1 1 6 . CB2 C 8.227 -3.551 -2.787 1.00 . A A . 6 DIV CB2 1 1
12 2202 1 1 6 . CG1 C 8.134 -6.052 -1.411 1.00 . A A . 6 DIV CG1 1 1
12 2203 1 1 6 . H H 5.554 -2.885 -1.593 1.00 . A A . 6 DIV H 1 1
12 2204 1 1 6 . HB11 H 6.631 -5.146 -2.599 1.00 . A A . 6 DIV HB11 1 1
12 2205 1 1 6 . HB12 H 6.268 -5.215 -0.882 1.00 . A A . 6 DIV HB12 1 1
12 2206 1 1 6 . HB21 H 8.559 -2.545 -2.995 1.00 . A A . 6 DIV HB21 1 1
12 2207 1 1 6 . HB22 H 7.541 -3.862 -3.561 1.00 . A A . 6 DIV HB22 1 1
12 2208 1 1 6 . HB23 H 9.081 -4.209 -2.784 1.00 . A A . 6 DIV HB23 1 1
12 2209 1 1 6 . HG11 H 8.546 -5.965 -0.414 1.00 . A A . 6 DIV HG11 1 1
12 2210 1 1 6 . HG12 H 8.918 -5.904 -2.139 1.00 . A A . 6 DIV HG12 1 1
12 2211 1 1 6 . HG13 H 7.712 -7.038 -1.538 1.00 . A A . 6 DIV HG13 1 1
12 2212 1 1 6 . N N 6.448 -2.603 -1.288 1.00 . A A . 6 DIV N 1 1
12 2213 1 1 6 . O O 9.733 -3.057 -0.578 1.00 . A A . 6 DIV O 1 1
12 2214 1 1 7 GLY C C 9.385 -2.039 2.418 1.00 . A A . 7 GLY C 1 1
12 2215 1 1 7 GLY CA C 9.098 -3.491 2.069 1.00 . A A . 7 GLY CA 1 1
12 2216 1 1 7 GLY H H 7.241 -3.922 1.145 1.00 . A A . 7 GLY H 1 1
12 2217 1 1 7 GLY HA2 H 10.027 -3.976 1.810 1.00 . A A . 7 GLY HA2 1 1
12 2218 1 1 7 GLY HA3 H 8.684 -3.981 2.939 1.00 . A A . 7 GLY HA3 1 1
12 2219 1 1 7 GLY N N 8.170 -3.641 0.960 1.00 . A A . 7 GLY N 1 1
12 2220 1 1 7 GLY O O 10.457 -1.731 2.938 1.00 . A A . 7 GLY O 1 1
12 2221 1 1 8 LEU C C 10.013 0.705 2.569 1.00 . A A . 8 LEU C 1 1
12 2222 1 1 8 LEU CA C 8.556 0.279 2.416 1.00 . A A . 8 LEU CA 1 1
12 2223 1 1 8 LEU CB C 7.774 0.644 3.679 1.00 . A A . 8 LEU CB 1 1
12 2224 1 1 8 LEU CD1 C 8.894 -0.280 5.722 1.00 . A A . 8 LEU CD1 1 1
12 2225 1 1 8 LEU CD2 C 6.407 -0.395 5.504 1.00 . A A . 8 LEU CD2 1 1
12 2226 1 1 8 LEU CG C 7.731 -0.442 4.757 1.00 . A A . 8 LEU CG 1 1
12 2227 1 1 8 LEU H H 7.595 -1.474 1.721 1.00 . A A . 8 LEU H 1 1
12 2228 1 1 8 LEU HA H 8.132 0.813 1.580 1.00 . A A . 8 LEU HA 1 1
12 2229 1 1 8 LEU HB2 H 8.223 1.529 4.108 1.00 . A A . 8 LEU HB2 1 1
12 2230 1 1 8 LEU HB3 H 6.760 0.878 3.394 1.00 . A A . 8 LEU HB3 1 1
12 2231 1 1 8 LEU HD11 H 8.929 0.740 6.073 1.00 . A A . 8 LEU HD11 1 1
12 2232 1 1 8 LEU HD12 H 8.761 -0.946 6.562 1.00 . A A . 8 LEU HD12 1 1
12 2233 1 1 8 LEU HD13 H 9.818 -0.519 5.216 1.00 . A A . 8 LEU HD13 1 1
12 2234 1 1 8 LEU HD21 H 5.620 -0.107 4.823 1.00 . A A . 8 LEU HD21 1 1
12 2235 1 1 8 LEU HD22 H 6.189 -1.370 5.914 1.00 . A A . 8 LEU HD22 1 1
12 2236 1 1 8 LEU HD23 H 6.471 0.326 6.305 1.00 . A A . 8 LEU HD23 1 1
12 2237 1 1 8 LEU HG H 7.818 -1.412 4.287 1.00 . A A . 8 LEU HG 1 1
12 2238 1 1 8 LEU N N 8.425 -1.154 2.132 1.00 . A A . 8 LEU N 1 1
12 2239 1 1 8 LEU O O 10.403 1.195 3.643 1.00 . A A . 8 LEU O 1 1
12 2240 1 1 9 ABA C C 13.006 -0.098 0.546 1.00 . A A . 9 AIB C 1 1
12 2241 1 1 9 ABA CA C 12.214 0.860 1.458 1.00 . A A . 9 AIB CA 1 1
12 2242 1 1 9 ABA H H 10.391 0.113 0.677 1.00 . A A . 9 AIB H 1 1
12 2243 1 1 9 ABA N N 10.788 0.507 1.481 1.00 . A A . 9 AIB N 1 1
12 2244 1 1 9 ABA O O 13.948 0.360 -0.122 1.00 . A A . 9 AIB O 1 1
12 2245 1 1 10 ABA C C 13.796 -1.819 -1.606 1.00 . A A . 10 AIB C 1 1
12 2246 1 1 10 ABA CA C 13.263 -2.426 -0.291 1.00 . A A . 10 AIB CA 1 1
12 2247 1 1 10 ABA H H 11.835 -1.709 1.088 1.00 . A A . 10 AIB H 1 1
12 2248 1 1 10 ABA N N 12.600 -1.406 0.536 1.00 . A A . 10 AIB N 1 1
12 2249 1 1 10 ABA O O 14.851 -2.237 -2.081 1.00 . A A . 10 AIB O 1 1
12 2250 1 1 11 HYP C C 14.574 0.884 -3.280 1.00 . A A . 11 HYP C 1 1
12 2251 1 1 11 HYP CA C 13.576 -0.256 -3.482 1.00 . A A . 11 HYP CA 1 1
12 2252 1 1 11 HYP CB C 12.318 0.274 -4.195 1.00 . A A . 11 HYP CB 1 1
12 2253 1 1 11 HYP CD C 11.703 -0.320 -1.988 1.00 . A A . 11 HYP CD 1 1
12 2254 1 1 11 HYP CG C 11.129 -0.227 -3.382 1.00 . A A . 11 HYP CG 1 1
12 2255 1 1 11 HYP HA H 14.037 -1.017 -4.096 1.00 . A A . 11 HYP HA 1 1
12 2256 1 1 11 HYP HB2 H 12.290 -0.109 -5.206 1.00 . A A . 11 HYP HB2 1 1
12 2257 1 1 11 HYP HB3 H 12.347 1.354 -4.220 1.00 . A A . 11 HYP HB3 1 1
12 2258 1 1 11 HYP HD1 H 11.385 -1.862 -4.425 1.00 . A A . 11 HYP HD1 1 1
12 2259 1 1 11 HYP HD22 H 11.728 0.655 -1.524 1.00 . A A . 11 HYP HD22 1 1
12 2260 1 1 11 HYP HD23 H 11.128 -1.010 -1.390 1.00 . A A . 11 HYP HD23 1 1
12 2261 1 1 11 HYP HG H 10.371 0.542 -3.390 1.00 . A A . 11 HYP HG 1 1
12 2262 1 1 11 HYP N N 13.075 -0.830 -2.222 1.00 . A A . 11 HYP N 1 1
12 2263 1 1 11 HYP O O 15.610 0.935 -3.945 1.00 . A A . 11 HYP O 1 1
12 2264 1 1 11 HYP OD1 O 10.751 -1.534 -3.783 1.00 . A A . 11 HYP OD1 1 1
12 2265 1 1 12 GLN C C 16.119 2.684 -1.002 1.00 . A A . 12 GLN C 1 1
12 2266 1 1 12 GLN CA C 15.123 2.959 -2.125 1.00 . A A . 12 GLN CA 1 1
12 2267 1 1 12 GLN CB C 14.285 4.195 -1.787 1.00 . A A . 12 GLN CB 1 1
12 2268 1 1 12 GLN CD C 14.489 4.739 -4.248 1.00 . A A . 12 GLN CD 1 1
12 2269 1 1 12 GLN CG C 13.636 4.846 -3.000 1.00 . A A . 12 GLN CG 1 1
12 2270 1 1 12 GLN H H 13.409 1.731 -1.891 1.00 . A A . 12 GLN H 1 1
12 2271 1 1 12 GLN HA H 15.679 3.155 -3.028 1.00 . A A . 12 GLN HA 1 1
12 2272 1 1 12 GLN HB2 H 13.503 3.908 -1.100 1.00 . A A . 12 GLN HB2 1 1
12 2273 1 1 12 GLN HB3 H 14.920 4.927 -1.310 1.00 . A A . 12 GLN HB3 1 1
12 2274 1 1 12 GLN HE21 H 13.210 3.438 -5.036 1.00 . A A . 12 GLN HE21 1 1
12 2275 1 1 12 GLN HE22 H 14.579 3.830 -6.015 1.00 . A A . 12 GLN HE22 1 1
12 2276 1 1 12 GLN HG2 H 12.690 4.362 -3.189 1.00 . A A . 12 GLN HG2 1 1
12 2277 1 1 12 GLN HG3 H 13.469 5.891 -2.784 1.00 . A A . 12 GLN HG3 1 1
12 2278 1 1 12 GLN N N 14.254 1.811 -2.381 1.00 . A A . 12 GLN N 1 1
12 2279 1 1 12 GLN NE2 N 14.048 3.920 -5.195 1.00 . A A . 12 GLN NE2 1 1
12 2280 1 1 12 GLN O O 16.891 3.589 -0.635 1.00 . A A . 12 GLN O 1 1
12 2281 1 1 12 GLN OE1 O 15.532 5.384 -4.360 1.00 . A A . 12 GLN OE1 1 1
12 2282 1 1 13 . C C 18.450 1.476 0.305 1.00 . A A . 13 DIV C 1 1
12 2283 1 1 13 . CA C 17.000 1.025 0.611 1.00 . A A . 13 DIV CA 1 1
12 2284 1 1 13 . CB1 C 16.536 1.424 1.973 1.00 . A A . 13 DIV CB1 1 1
12 2285 1 1 13 . CB2 C 16.949 -0.457 0.958 1.00 . A A . 13 DIV CB2 1 1
12 2286 1 1 13 . CG1 C 16.431 2.933 2.145 1.00 . A A . 13 DIV CG1 1 1
12 2287 1 1 13 . H H 15.448 0.787 -0.828 1.00 . A A . 13 DIV H 1 1
12 2288 1 1 13 . HB11 H 17.228 1.057 2.716 1.00 . A A . 13 DIV HB11 1 1
12 2289 1 1 13 . HB12 H 15.559 1.004 2.162 1.00 . A A . 13 DIV HB12 1 1
12 2290 1 1 13 . HB21 H 15.966 -0.715 1.323 1.00 . A A . 13 DIV HB21 1 1
12 2291 1 1 13 . HB22 H 17.680 -0.679 1.723 1.00 . A A . 13 DIV HB22 1 1
12 2292 1 1 13 . HB23 H 17.166 -1.045 0.079 1.00 . A A . 13 DIV HB23 1 1
12 2293 1 1 13 . HG11 H 16.130 3.156 3.158 1.00 . A A . 13 DIV HG11 1 1
12 2294 1 1 13 . HG12 H 15.694 3.327 1.460 1.00 . A A . 13 DIV HG12 1 1
12 2295 1 1 13 . HG13 H 17.390 3.395 1.949 1.00 . A A . 13 DIV HG13 1 1
12 2296 1 1 13 . N N 16.091 1.439 -0.476 1.00 . A A . 13 DIV N 1 1
12 2297 1 1 13 . O O 19.105 1.955 1.214 1.00 . A A . 13 DIV O 1 1
12 2298 1 1 14 . C C 21.179 2.342 -0.228 1.00 . A A . 14 0AZ C 1 1
12 2299 1 1 14 . CA C 20.295 1.780 -1.355 1.00 . A A . 14 0AZ CA 1 1
12 2300 1 1 14 . CB C 20.886 0.469 -1.872 1.00 . A A . 14 0AZ CB 1 1
12 2301 1 1 14 . CD C 18.505 0.319 -1.979 1.00 . A A . 14 0AZ CD 1 1
12 2302 1 1 14 . CG C 19.763 -0.130 -2.711 1.00 . A A . 14 0AZ CG 1 1
12 2303 1 1 14 . HA H 20.256 2.501 -2.172 1.00 . A A . 14 0AZ HA 1 1
12 2304 1 1 14 . HB2 H 21.151 -0.182 -1.038 1.00 . A A . 14 0AZ HB2 1 1
12 2305 1 1 14 . HB3 H 21.762 0.674 -2.469 1.00 . A A . 14 0AZ HB3 1 1
12 2306 1 1 14 . HD1 H 19.239 -1.907 -3.366 1.00 . A A . 14 0AZ HD1 1 1
12 2307 1 1 14 . HD22 H 17.807 0.753 -2.680 1.00 . A A . 14 0AZ HD22 1 1
12 2308 1 1 14 . HD23 H 18.054 -0.525 -1.482 1.00 . A A . 14 0AZ HD23 1 1
12 2309 1 1 14 . HG H 19.782 0.348 -3.680 1.00 . A A . 14 0AZ HG 1 1
12 2310 1 1 14 . N N 18.937 1.343 -0.976 1.00 . A A . 14 0AZ N 1 1
12 2311 1 1 14 . O O 22.283 1.821 -0.026 1.00 . A A . 14 0AZ O 1 1
12 2312 1 1 14 . OD1 O 19.800 -1.547 -2.675 1.00 . A A . 14 0AZ OD1 1 1
12 2313 1 1 15 ABA C C 22.568 3.156 2.091 1.00 . A A . 15 AIB C 1 1
12 2314 1 1 15 ABA CA C 21.440 4.061 1.551 1.00 . A A . 15 AIB CA 1 1
12 2315 1 1 15 ABA H H 19.810 3.775 0.242 1.00 . A A . 15 AIB H 1 1
12 2316 1 1 15 ABA N N 20.689 3.409 0.466 1.00 . A A . 15 AIB N 1 1
12 2317 1 1 15 ABA O O 23.727 3.362 1.732 1.00 . A A . 15 AIB O 1 1
12 2318 1 1 16 PRO C C 24.481 1.082 2.581 1.00 . A A . 16 PRO C 1 1
12 2319 1 1 16 PRO CA C 23.310 1.305 3.537 1.00 . A A . 16 PRO CA 1 1
12 2320 1 1 16 PRO CB C 22.589 -0.012 3.815 1.00 . A A . 16 PRO CB 1 1
12 2321 1 1 16 PRO CD C 20.965 1.783 3.609 1.00 . A A . 16 PRO CD 1 1
12 2322 1 1 16 PRO CG C 21.155 0.347 4.040 1.00 . A A . 16 PRO CG 1 1
12 2323 1 1 16 PRO HA H 23.687 1.707 4.466 1.00 . A A . 16 PRO HA 1 1
12 2324 1 1 16 PRO HB2 H 22.702 -0.670 2.967 1.00 . A A . 16 PRO HB2 1 1
12 2325 1 1 16 PRO HB3 H 23.017 -0.478 4.695 1.00 . A A . 16 PRO HB3 1 1
12 2326 1 1 16 PRO HD2 H 20.165 1.850 2.897 1.00 . A A . 16 PRO HD2 1 1
12 2327 1 1 16 PRO HD3 H 20.756 2.410 4.459 1.00 . A A . 16 PRO HD3 1 1
12 2328 1 1 16 PRO HG2 H 20.524 -0.299 3.448 1.00 . A A . 16 PRO HG2 1 1
12 2329 1 1 16 PRO HG3 H 20.915 0.238 5.087 1.00 . A A . 16 PRO HG3 1 1
12 2330 1 1 16 PRO N N 22.257 2.162 2.984 1.00 . A A . 16 PRO N 1 1
12 2331 1 1 16 PRO O O 25.635 1.030 3.007 1.00 . A A . 16 PRO O 1 1
12 2332 1 1 17 PDH C C 24.821 -0.549 -0.559 1.00 . A A . 17 PDH C 1 1
12 2333 1 1 17 PDH CA C 25.263 0.732 0.251 1.00 . A A . 17 PDH CA 1 1
12 2334 1 1 17 PDH CB C 25.909 1.920 -0.414 1.00 . A A . 17 PDH CB 1 1
12 2335 1 1 17 PDH CD1 C 28.340 1.447 -0.884 1.00 . A A . 17 PDH CD1 1 1
12 2336 1 1 17 PDH CD2 C 27.797 2.934 0.912 1.00 . A A . 17 PDH CD2 1 1
12 2337 1 1 17 PDH CE1 C 29.691 1.615 -0.620 1.00 . A A . 17 PDH CE1 1 1
12 2338 1 1 17 PDH CE2 C 29.146 3.106 1.181 1.00 . A A . 17 PDH CE2 1 1
12 2339 1 1 17 PDH CG C 27.380 2.103 -0.122 1.00 . A A . 17 PDH CG 1 1
12 2340 1 1 17 PDH CZ C 30.094 2.446 0.414 1.00 . A A . 17 PDH CZ 1 1
12 2341 1 1 17 PDH H1 H 23.757 -0.700 -0.437 1.00 . A A . 17 PDH H1 1 1
12 2342 1 1 17 PDH H2 H 25.352 -1.412 -0.185 1.00 . A A . 17 PDH H2 1 1
12 2343 1 1 17 PDH HA H 26.105 0.571 0.687 1.00 . A A . 17 PDH HA 1 1
12 2344 1 1 17 PDH HD1 H 28.027 0.799 -1.689 1.00 . A A . 17 PDH HD1 1 1
12 2345 1 1 17 PDH HD2 H 27.058 3.448 1.510 1.00 . A A . 17 PDH HD2 1 1
12 2346 1 1 17 PDH HE1 H 30.427 1.100 -1.218 1.00 . A A . 17 PDH HE1 1 1
12 2347 1 1 17 PDH HE2 H 29.458 3.753 1.988 1.00 . A A . 17 PDH HE2 1 1
12 2348 1 1 17 PDH HN H 23.249 1.008 1.005 1.00 . A A . 17 PDH HN 1 1
12 2349 1 1 17 PDH HO H 26.023 -0.143 -2.050 1.00 . A A . 17 PDH HO 1 1
12 2350 1 1 17 PDH HZ H 31.145 2.579 0.622 1.00 . A A . 17 PDH HZ 1 1
12 2351 1 1 17 PDH N N 24.185 0.955 1.292 1.00 . A A . 17 PDH N 1 1
12 2352 1 1 17 PDH O O 25.105 -0.402 -1.939 1.00 . A A . 17 PDH O 1 1
13 2353 1 1 1 ACE C C 0.512 4.339 -0.561 1.00 . A A . 1 ACE C 1 1
13 2354 1 1 1 ACE CH3 C 0.890 5.356 0.543 1.00 . A A . 1 ACE CH3 1 1
13 2355 1 1 1 ACE H1 H 1.963 5.405 0.645 1.00 . A A . 1 ACE H1 1 1
13 2356 1 1 1 ACE H2 H 0.455 5.056 1.485 1.00 . A A . 1 ACE H2 1 1
13 2357 1 1 1 ACE H3 H 0.516 6.336 0.279 1.00 . A A . 1 ACE H3 1 1
13 2358 1 1 1 ACE O O -0.654 4.585 -0.248 1.00 . A A . 1 ACE O 1 1
13 2359 1 1 2 PHE C C 1.068 1.553 1.643 1.00 . A A . 2 PHE C 1 1
13 2360 1 1 2 PHE CA C 0.243 2.353 0.636 1.00 . A A . 2 PHE CA 1 1
13 2361 1 1 2 PHE CB C -0.591 1.396 -0.219 1.00 . A A . 2 PHE CB 1 1
13 2362 1 1 2 PHE CD1 C -2.542 2.082 -1.637 1.00 . A A . 2 PHE CD1 1 1
13 2363 1 1 2 PHE CD2 C -2.852 1.936 0.724 1.00 . A A . 2 PHE CD2 1 1
13 2364 1 1 2 PHE CE1 C -3.861 2.462 -1.790 1.00 . A A . 2 PHE CE1 1 1
13 2365 1 1 2 PHE CE2 C -4.173 2.316 0.577 1.00 . A A . 2 PHE CE2 1 1
13 2366 1 1 2 PHE CG C -2.023 1.815 -0.380 1.00 . A A . 2 PHE CG 1 1
13 2367 1 1 2 PHE CZ C -4.678 2.580 -0.682 1.00 . A A . 2 PHE CZ 1 1
13 2368 1 1 2 PHE H H 1.824 3.327 0.427 1.00 . A A . 2 PHE H 1 1
13 2369 1 1 2 PHE HA H -0.422 3.012 1.175 1.00 . A A . 2 PHE HA 1 1
13 2370 1 1 2 PHE HB2 H -0.152 1.331 -1.203 1.00 . A A . 2 PHE HB2 1 1
13 2371 1 1 2 PHE HB3 H -0.580 0.417 0.238 1.00 . A A . 2 PHE HB3 1 1
13 2372 1 1 2 PHE HD1 H -1.904 1.991 -2.503 1.00 . A A . 2 PHE HD1 1 1
13 2373 1 1 2 PHE HD2 H -2.458 1.729 1.708 1.00 . A A . 2 PHE HD2 1 1
13 2374 1 1 2 PHE HE1 H -4.254 2.667 -2.775 1.00 . A A . 2 PHE HE1 1 1
13 2375 1 1 2 PHE HE2 H -4.809 2.408 1.444 1.00 . A A . 2 PHE HE2 1 1
13 2376 1 1 2 PHE HZ H -5.709 2.876 -0.800 1.00 . A A . 2 PHE HZ 1 1
13 2377 1 1 2 PHE N N 1.100 3.177 -0.218 1.00 . A A . 2 PHE N 1 1
13 2378 1 1 2 PHE O O 2.282 1.378 1.445 1.00 . A A . 2 PHE O 1 1
13 2379 1 1 3 ABA C C 1.506 -1.072 3.227 1.00 . A A . 3 AIB C 1 1
13 2380 1 1 3 ABA CA C 1.026 0.289 3.767 1.00 . A A . 3 AIB CA 1 1
13 2381 1 1 3 ABA H H -0.577 1.267 2.780 1.00 . A A . 3 AIB H 1 1
13 2382 1 1 3 ABA N N 0.382 1.081 2.709 1.00 . A A . 3 AIB N 1 1
13 2383 1 1 3 ABA O O 1.098 -2.108 3.776 1.00 . A A . 3 AIB O 1 1
13 2384 1 1 4 ABA C C 3.887 -1.922 0.412 1.00 . A A . 4 AIB C 1 1
13 2385 1 1 4 ABA CA C 2.896 -2.258 1.544 1.00 . A A . 4 AIB CA 1 1
13 2386 1 1 4 ABA H H 2.645 -0.177 1.773 1.00 . A A . 4 AIB H 1 1
13 2387 1 1 4 ABA N N 2.362 -1.036 2.162 1.00 . A A . 4 AIB N 1 1
13 2388 1 1 4 ABA O O 4.812 -2.720 0.189 1.00 . A A . 4 AIB O 1 1
13 2389 1 1 5 ABA C C 5.859 -1.086 -1.402 1.00 . A A . 5 AIB C 1 1
13 2390 1 1 5 ABA CA C 4.527 -0.308 -1.380 1.00 . A A . 5 AIB CA 1 1
13 2391 1 1 5 ABA H H 2.905 -0.163 -0.050 1.00 . A A . 5 AIB H 1 1
13 2392 1 1 5 ABA N N 3.664 -0.752 -0.274 1.00 . A A . 5 AIB N 1 1
13 2393 1 1 5 ABA O O 6.867 -0.558 -0.903 1.00 . A A . 5 AIB O 1 1
13 2394 1 1 6 . C C 7.979 -2.919 -0.872 1.00 . A A . 6 DIV C 1 1
13 2395 1 1 6 . CA C 7.037 -3.182 -2.072 1.00 . A A . 6 DIV CA 1 1
13 2396 1 1 6 . CB1 C 6.747 -4.633 -2.313 1.00 . A A . 6 DIV CB1 1 1
13 2397 1 1 6 . CB2 C 7.778 -3.053 -3.397 1.00 . A A . 6 DIV CB2 1 1
13 2398 1 1 6 . CG1 C 6.022 -5.299 -1.153 1.00 . A A . 6 DIV CG1 1 1
13 2399 1 1 6 . H H 5.001 -2.698 -2.364 1.00 . A A . 6 DIV H 1 1
13 2400 1 1 6 . HB11 H 7.672 -5.170 -2.469 1.00 . A A . 6 DIV HB11 1 1
13 2401 1 1 6 . HB12 H 6.126 -4.739 -3.191 1.00 . A A . 6 DIV HB12 1 1
13 2402 1 1 6 . HB21 H 8.601 -3.753 -3.426 1.00 . A A . 6 DIV HB21 1 1
13 2403 1 1 6 . HB22 H 8.161 -2.050 -3.507 1.00 . A A . 6 DIV HB22 1 1
13 2404 1 1 6 . HB23 H 7.103 -3.266 -4.213 1.00 . A A . 6 DIV HB23 1 1
13 2405 1 1 6 . HG11 H 6.643 -5.266 -0.269 1.00 . A A . 6 DIV HG11 1 1
13 2406 1 1 6 . HG12 H 5.818 -6.329 -1.406 1.00 . A A . 6 DIV HG12 1 1
13 2407 1 1 6 . HG13 H 5.088 -4.788 -0.959 1.00 . A A . 6 DIV HG13 1 1
13 2408 1 1 6 . N N 5.834 -2.329 -1.982 1.00 . A A . 6 DIV N 1 1
13 2409 1 1 6 . O O 9.111 -2.468 -1.054 1.00 . A A . 6 DIV O 1 1
13 2410 1 1 7 GLY C C 8.459 -1.544 1.910 1.00 . A A . 7 GLY C 1 1
13 2411 1 1 7 GLY CA C 8.323 -3.007 1.534 1.00 . A A . 7 GLY CA 1 1
13 2412 1 1 7 GLY H H 6.587 -3.583 0.468 1.00 . A A . 7 GLY H 1 1
13 2413 1 1 7 GLY HA2 H 9.306 -3.412 1.346 1.00 . A A . 7 GLY HA2 1 1
13 2414 1 1 7 GLY HA3 H 7.882 -3.538 2.364 1.00 . A A . 7 GLY HA3 1 1
13 2415 1 1 7 GLY N N 7.497 -3.216 0.356 1.00 . A A . 7 GLY N 1 1
13 2416 1 1 7 GLY O O 9.428 -1.156 2.561 1.00 . A A . 7 GLY O 1 1
13 2417 1 1 8 LEU C C 8.908 1.253 1.878 1.00 . A A . 8 LEU C 1 1
13 2418 1 1 8 LEU CA C 7.488 0.696 1.808 1.00 . A A . 8 LEU CA 1 1
13 2419 1 1 8 LEU CB C 6.743 0.988 3.118 1.00 . A A . 8 LEU CB 1 1
13 2420 1 1 8 LEU CD1 C 7.463 0.567 5.481 1.00 . A A . 8 LEU CD1 1 1
13 2421 1 1 8 LEU CD2 C 5.546 -0.716 4.515 1.00 . A A . 8 LEU CD2 1 1
13 2422 1 1 8 LEU CG C 6.889 -0.065 4.222 1.00 . A A . 8 LEU CG 1 1
13 2423 1 1 8 LEU H H 6.735 -1.107 1.001 1.00 . A A . 8 LEU H 1 1
13 2424 1 1 8 LEU HA H 6.970 1.193 1.003 1.00 . A A . 8 LEU HA 1 1
13 2425 1 1 8 LEU HB2 H 7.101 1.930 3.506 1.00 . A A . 8 LEU HB2 1 1
13 2426 1 1 8 LEU HB3 H 5.691 1.090 2.893 1.00 . A A . 8 LEU HB3 1 1
13 2427 1 1 8 LEU HD11 H 8.419 1.015 5.255 1.00 . A A . 8 LEU HD11 1 1
13 2428 1 1 8 LEU HD12 H 6.786 1.326 5.843 1.00 . A A . 8 LEU HD12 1 1
13 2429 1 1 8 LEU HD13 H 7.591 -0.193 6.239 1.00 . A A . 8 LEU HD13 1 1
13 2430 1 1 8 LEU HD21 H 4.793 -0.297 3.864 1.00 . A A . 8 LEU HD21 1 1
13 2431 1 1 8 LEU HD22 H 5.617 -1.781 4.347 1.00 . A A . 8 LEU HD22 1 1
13 2432 1 1 8 LEU HD23 H 5.273 -0.533 5.544 1.00 . A A . 8 LEU HD23 1 1
13 2433 1 1 8 LEU HG H 7.571 -0.833 3.897 1.00 . A A . 8 LEU HG 1 1
13 2434 1 1 8 LEU N N 7.482 -0.734 1.511 1.00 . A A . 8 LEU N 1 1
13 2435 1 1 8 LEU O O 9.390 1.585 2.973 1.00 . A A . 8 LEU O 1 1
13 2436 1 1 9 ABA C C 11.966 0.800 0.867 1.00 . A A . 9 AIB C 1 1
13 2437 1 1 9 ABA CA C 10.911 1.885 0.567 1.00 . A A . 9 AIB CA 1 1
13 2438 1 1 9 ABA H H 9.080 1.075 -0.129 1.00 . A A . 9 AIB H 1 1
13 2439 1 1 9 ABA N N 9.545 1.354 0.687 1.00 . A A . 9 AIB N 1 1
13 2440 1 1 9 ABA O O 13.130 0.984 0.475 1.00 . A A . 9 AIB O 1 1
13 2441 1 1 10 ABA C C 13.606 -1.517 0.906 1.00 . A A . 10 AIB C 1 1
13 2442 1 1 10 ABA CA C 12.441 -1.405 1.911 1.00 . A A . 10 AIB CA 1 1
13 2443 1 1 10 ABA H H 10.597 -0.389 1.846 1.00 . A A . 10 AIB H 1 1
13 2444 1 1 10 ABA N N 11.537 -0.301 1.558 1.00 . A A . 10 AIB N 1 1
13 2445 1 1 10 ABA O O 14.734 -1.790 1.315 1.00 . A A . 10 AIB O 1 1
13 2446 1 1 11 HYP C C 15.325 -0.130 -1.439 1.00 . A A . 11 HYP C 1 1
13 2447 1 1 11 HYP CA C 14.474 -1.398 -1.385 1.00 . A A . 11 HYP CA 1 1
13 2448 1 1 11 HYP CB C 13.795 -1.625 -2.745 1.00 . A A . 11 HYP CB 1 1
13 2449 1 1 11 HYP CD C 12.078 -1.246 -1.172 1.00 . A A . 11 HYP CD 1 1
13 2450 1 1 11 HYP CG C 12.364 -2.037 -2.426 1.00 . A A . 11 HYP CG 1 1
13 2451 1 1 11 HYP HA H 15.112 -2.241 -1.159 1.00 . A A . 11 HYP HA 1 1
13 2452 1 1 11 HYP HB2 H 14.317 -2.403 -3.284 1.00 . A A . 11 HYP HB2 1 1
13 2453 1 1 11 HYP HB3 H 13.821 -0.710 -3.317 1.00 . A A . 11 HYP HB3 1 1
13 2454 1 1 11 HYP HD1 H 12.951 -3.896 -2.602 1.00 . A A . 11 HYP HD1 1 1
13 2455 1 1 11 HYP HD22 H 11.821 -0.227 -1.420 1.00 . A A . 11 HYP HD22 1 1
13 2456 1 1 11 HYP HD23 H 11.282 -1.711 -0.610 1.00 . A A . 11 HYP HD23 1 1
13 2457 1 1 11 HYP HG H 11.725 -1.670 -3.218 1.00 . A A . 11 HYP HG 1 1
13 2458 1 1 11 HYP N N 13.360 -1.301 -0.423 1.00 . A A . 11 HYP N 1 1
13 2459 1 1 11 HYP O O 15.790 0.267 -2.506 1.00 . A A . 11 HYP O 1 1
13 2460 1 1 11 HYP OD1 O 12.289 -3.414 -2.098 1.00 . A A . 11 HYP OD1 1 1
13 2461 1 1 12 GLN C C 17.682 1.449 0.442 1.00 . A A . 12 GLN C 1 1
13 2462 1 1 12 GLN CA C 16.331 1.719 -0.216 1.00 . A A . 12 GLN CA 1 1
13 2463 1 1 12 GLN CB C 15.581 2.797 0.570 1.00 . A A . 12 GLN CB 1 1
13 2464 1 1 12 GLN CD C 14.948 3.764 -1.678 1.00 . A A . 12 GLN CD 1 1
13 2465 1 1 12 GLN CG C 14.523 3.525 -0.243 1.00 . A A . 12 GLN CG 1 1
13 2466 1 1 12 GLN H H 15.143 0.141 0.532 1.00 . A A . 12 GLN H 1 1
13 2467 1 1 12 GLN HA H 16.496 2.068 -1.222 1.00 . A A . 12 GLN HA 1 1
13 2468 1 1 12 GLN HB2 H 15.097 2.335 1.418 1.00 . A A . 12 GLN HB2 1 1
13 2469 1 1 12 GLN HB3 H 16.294 3.526 0.928 1.00 . A A . 12 GLN HB3 1 1
13 2470 1 1 12 GLN HE21 H 16.353 5.036 -1.080 1.00 . A A . 12 GLN HE21 1 1
13 2471 1 1 12 GLN HE22 H 16.243 4.789 -2.786 1.00 . A A . 12 GLN HE22 1 1
13 2472 1 1 12 GLN HG2 H 13.621 2.933 -0.246 1.00 . A A . 12 GLN HG2 1 1
13 2473 1 1 12 GLN HG3 H 14.324 4.479 0.222 1.00 . A A . 12 GLN HG3 1 1
13 2474 1 1 12 GLN N N 15.532 0.501 -0.287 1.00 . A A . 12 GLN N 1 1
13 2475 1 1 12 GLN NE2 N 15.949 4.615 -1.867 1.00 . A A . 12 GLN NE2 1 1
13 2476 1 1 12 GLN O O 18.506 2.373 0.558 1.00 . A A . 12 GLN O 1 1
13 2477 1 1 12 GLN OE1 O 14.381 3.190 -2.609 1.00 . A A . 12 GLN OE1 1 1
13 2478 1 1 13 . C C 20.350 0.446 0.884 1.00 . A A . 13 DIV C 1 1
13 2479 1 1 13 . CA C 19.127 -0.243 1.537 1.00 . A A . 13 DIV CA 1 1
13 2480 1 1 13 . CB1 C 19.059 -0.079 3.034 1.00 . A A . 13 DIV CB1 1 1
13 2481 1 1 13 . CB2 C 19.323 -1.754 1.607 1.00 . A A . 13 DIV CB2 1 1
13 2482 1 1 13 . CG1 C 17.750 -0.570 3.633 1.00 . A A . 13 DIV CG1 1 1
13 2483 1 1 13 . H H 17.171 -0.485 0.745 1.00 . A A . 13 DIV H 1 1
13 2484 1 1 13 . HB11 H 19.152 0.969 3.281 1.00 . A A . 13 DIV HB11 1 1
13 2485 1 1 13 . HB12 H 19.865 -0.620 3.509 1.00 . A A . 13 DIV HB12 1 1
13 2486 1 1 13 . HB21 H 18.403 -2.230 1.910 1.00 . A A . 13 DIV HB21 1 1
13 2487 1 1 13 . HB22 H 20.101 -1.998 2.317 1.00 . A A . 13 DIV HB22 1 1
13 2488 1 1 13 . HB23 H 19.608 -2.127 0.635 1.00 . A A . 13 DIV HB23 1 1
13 2489 1 1 13 . HG11 H 17.762 -0.401 4.699 1.00 . A A . 13 DIV HG11 1 1
13 2490 1 1 13 . HG12 H 17.633 -1.626 3.442 1.00 . A A . 13 DIV HG12 1 1
13 2491 1 1 13 . HG13 H 16.921 -0.029 3.196 1.00 . A A . 13 DIV HG13 1 1
13 2492 1 1 13 . N N 17.878 0.180 0.871 1.00 . A A . 13 DIV N 1 1
13 2493 1 1 13 . O O 21.218 0.901 1.624 1.00 . A A . 13 DIV O 1 1
13 2494 1 1 14 . C C 22.548 1.883 -0.225 1.00 . A A . 14 0AZ C 1 1
13 2495 1 1 14 . CA C 21.542 1.200 -1.165 1.00 . A A . 14 0AZ CA 1 1
13 2496 1 1 14 . CB C 22.188 0.007 -1.870 1.00 . A A . 14 0AZ CB 1 1
13 2497 1 1 14 . CD C 19.849 -0.417 -1.489 1.00 . A A . 14 0AZ CD 1 1
13 2498 1 1 14 . CG C 21.001 -0.787 -2.421 1.00 . A A . 14 0AZ CG 1 1
13 2499 1 1 14 . HA H 21.193 1.913 -1.917 1.00 . A A . 14 0AZ HA 1 1
13 2500 1 1 14 . HB2 H 22.766 -0.583 -1.161 1.00 . A A . 14 0AZ HB2 1 1
13 2501 1 1 14 . HB3 H 22.831 0.358 -2.664 1.00 . A A . 14 0AZ HB3 1 1
13 2502 1 1 14 . HD1 H 21.025 -2.622 -3.128 1.00 . A A . 14 0AZ HD1 1 1
13 2503 1 1 14 . HD22 H 19.058 0.055 -2.052 1.00 . A A . 14 0AZ HD22 1 1
13 2504 1 1 14 . HD23 H 19.477 -1.303 -1.002 1.00 . A A . 14 0AZ HD23 1 1
13 2505 1 1 14 . HG H 20.776 -0.402 -3.405 1.00 . A A . 14 0AZ HG 1 1
13 2506 1 1 14 . N N 20.418 0.538 -0.493 1.00 . A A . 14 0AZ N 1 1
13 2507 1 1 14 . O O 23.729 1.513 -0.244 1.00 . A A . 14 0AZ O 1 1
13 2508 1 1 14 . OD1 O 21.224 -2.182 -2.297 1.00 . A A . 14 0AZ OD1 1 1
13 2509 1 1 15 ABA C C 24.364 3.202 1.458 1.00 . A A . 15 AIB C 1 1
13 2510 1 1 15 ABA CA C 22.880 3.620 1.536 1.00 . A A . 15 AIB CA 1 1
13 2511 1 1 15 ABA H H 21.093 3.103 0.545 1.00 . A A . 15 AIB H 1 1
13 2512 1 1 15 ABA N N 22.046 2.870 0.580 1.00 . A A . 15 AIB N 1 1
13 2513 1 1 15 ABA O O 25.159 3.916 0.845 1.00 . A A . 15 AIB O 1 1
13 2514 1 1 16 PRO C C 26.893 2.038 0.762 1.00 . A A . 16 PRO C 1 1
13 2515 1 1 16 PRO CA C 26.189 1.660 2.062 1.00 . A A . 16 PRO CA 1 1
13 2516 1 1 16 PRO CB C 26.132 0.145 2.213 1.00 . A A . 16 PRO CB 1 1
13 2517 1 1 16 PRO CD C 23.972 0.987 2.782 1.00 . A A . 16 PRO CD 1 1
13 2518 1 1 16 PRO CG C 24.981 -0.079 3.119 1.00 . A A . 16 PRO CG 1 1
13 2519 1 1 16 PRO HA H 26.732 2.083 2.893 1.00 . A A . 16 PRO HA 1 1
13 2520 1 1 16 PRO HB2 H 25.979 -0.314 1.247 1.00 . A A . 16 PRO HB2 1 1
13 2521 1 1 16 PRO HB3 H 27.054 -0.213 2.651 1.00 . A A . 16 PRO HB3 1 1
13 2522 1 1 16 PRO HD2 H 23.219 0.591 2.117 1.00 . A A . 16 PRO HD2 1 1
13 2523 1 1 16 PRO HD3 H 23.516 1.364 3.685 1.00 . A A . 16 PRO HD3 1 1
13 2524 1 1 16 PRO HG2 H 24.562 -1.060 2.944 1.00 . A A . 16 PRO HG2 1 1
13 2525 1 1 16 PRO HG3 H 25.298 0.017 4.146 1.00 . A A . 16 PRO HG3 1 1
13 2526 1 1 16 PRO N N 24.769 2.058 2.100 1.00 . A A . 16 PRO N 1 1
13 2527 1 1 16 PRO O O 28.088 2.331 0.760 1.00 . A A . 16 PRO O 1 1
13 2528 1 1 17 PDH C C 26.147 1.325 -2.710 1.00 . A A . 17 PDH C 1 1
13 2529 1 1 17 PDH CA C 26.746 2.372 -1.691 1.00 . A A . 17 PDH CA 1 1
13 2530 1 1 17 PDH CB C 26.976 3.811 -2.063 1.00 . A A . 17 PDH CB 1 1
13 2531 1 1 17 PDH CD1 C 28.375 3.692 -4.158 1.00 . A A . 17 PDH CD1 1 1
13 2532 1 1 17 PDH CD2 C 29.337 4.673 -2.197 1.00 . A A . 17 PDH CD2 1 1
13 2533 1 1 17 PDH CE1 C 29.552 3.922 -4.854 1.00 . A A . 17 PDH CE1 1 1
13 2534 1 1 17 PDH CE2 C 30.516 4.906 -2.889 1.00 . A A . 17 PDH CE2 1 1
13 2535 1 1 17 PDH CG C 28.255 4.065 -2.823 1.00 . A A . 17 PDH CG 1 1
13 2536 1 1 17 PDH CZ C 30.623 4.530 -4.218 1.00 . A A . 17 PDH CZ 1 1
13 2537 1 1 17 PDH H1 H 25.515 0.628 -2.177 1.00 . A A . 17 PDH H1 1 1
13 2538 1 1 17 PDH H2 H 26.954 0.787 -3.186 1.00 . A A . 17 PDH H2 1 1
13 2539 1 1 17 PDH HA H 27.704 2.283 -1.648 1.00 . A A . 17 PDH HA 1 1
13 2540 1 1 17 PDH HD1 H 27.541 3.218 -4.653 1.00 . A A . 17 PDH HD1 1 1
13 2541 1 1 17 PDH HD2 H 29.254 4.967 -1.161 1.00 . A A . 17 PDH HD2 1 1
13 2542 1 1 17 PDH HE1 H 29.634 3.627 -5.890 1.00 . A A . 17 PDH HE1 1 1
13 2543 1 1 17 PDH HE2 H 31.350 5.380 -2.391 1.00 . A A . 17 PDH HE2 1 1
13 2544 1 1 17 PDH HN H 25.208 1.778 -0.283 1.00 . A A . 17 PDH HN 1 1
13 2545 1 1 17 PDH HO H 25.825 2.765 -3.996 1.00 . A A . 17 PDH HO 1 1
13 2546 1 1 17 PDH HZ H 31.542 4.710 -4.758 1.00 . A A . 17 PDH HZ 1 1
13 2547 1 1 17 PDH N N 26.155 2.022 -0.341 1.00 . A A . 17 PDH N 1 1
13 2548 1 1 17 PDH O O 25.375 1.967 -3.708 1.00 . A A . 17 PDH O 1 1
14 2549 1 1 1 ACE C C 2.616 4.945 1.645 1.00 . A A . 1 ACE C 1 1
14 2550 1 1 1 ACE CH3 C 3.453 4.434 2.840 1.00 . A A . 1 ACE CH3 1 1
14 2551 1 1 1 ACE H1 H 3.015 3.531 3.237 1.00 . A A . 1 ACE H1 1 1
14 2552 1 1 1 ACE H2 H 3.477 5.186 3.617 1.00 . A A . 1 ACE H2 1 1
14 2553 1 1 1 ACE H3 H 4.463 4.228 2.520 1.00 . A A . 1 ACE H3 1 1
14 2554 1 1 1 ACE O O 1.718 5.100 2.473 1.00 . A A . 1 ACE O 1 1
14 2555 1 1 2 PHE C C 1.875 1.759 1.703 1.00 . A A . 2 PHE C 1 1
14 2556 1 1 2 PHE CA C 1.451 3.028 0.960 1.00 . A A . 2 PHE CA 1 1
14 2557 1 1 2 PHE CB C 0.805 2.653 -0.379 1.00 . A A . 2 PHE CB 1 1
14 2558 1 1 2 PHE CD1 C -1.300 3.131 -1.660 1.00 . A A . 2 PHE CD1 1 1
14 2559 1 1 2 PHE CD2 C -0.394 4.855 -0.284 1.00 . A A . 2 PHE CD2 1 1
14 2560 1 1 2 PHE CE1 C -2.335 3.967 -2.033 1.00 . A A . 2 PHE CE1 1 1
14 2561 1 1 2 PHE CE2 C -1.428 5.696 -0.654 1.00 . A A . 2 PHE CE2 1 1
14 2562 1 1 2 PHE CG C -0.319 3.565 -0.782 1.00 . A A . 2 PHE CG 1 1
14 2563 1 1 2 PHE CZ C -2.399 5.251 -1.530 1.00 . A A . 2 PHE CZ 1 1
14 2564 1 1 2 PHE H H 3.309 3.298 0.917 1.00 . A A . 2 PHE H 1 1
14 2565 1 1 2 PHE HA H 0.721 3.548 1.561 1.00 . A A . 2 PHE HA 1 1
14 2566 1 1 2 PHE HB2 H 1.553 2.685 -1.158 1.00 . A A . 2 PHE HB2 1 1
14 2567 1 1 2 PHE HB3 H 0.410 1.650 -0.309 1.00 . A A . 2 PHE HB3 1 1
14 2568 1 1 2 PHE HD1 H -1.252 2.126 -2.053 1.00 . A A . 2 PHE HD1 1 1
14 2569 1 1 2 PHE HD2 H 0.365 5.204 0.400 1.00 . A A . 2 PHE HD2 1 1
14 2570 1 1 2 PHE HE1 H -3.093 3.617 -2.719 1.00 . A A . 2 PHE HE1 1 1
14 2571 1 1 2 PHE HE2 H -1.475 6.700 -0.259 1.00 . A A . 2 PHE HE2 1 1
14 2572 1 1 2 PHE HZ H -3.207 5.906 -1.820 1.00 . A A . 2 PHE HZ 1 1
14 2573 1 1 2 PHE N N 2.585 3.940 0.746 1.00 . A A . 2 PHE N 1 1
14 2574 1 1 2 PHE O O 3.005 1.278 1.512 1.00 . A A . 2 PHE O 1 1
14 2575 1 1 3 ABA C C 1.329 -1.208 2.410 1.00 . A A . 3 AIB C 1 1
14 2576 1 1 3 ABA CA C 1.184 0.025 3.323 1.00 . A A . 3 AIB CA 1 1
14 2577 1 1 3 ABA H H 0.077 1.691 2.620 1.00 . A A . 3 AIB H 1 1
14 2578 1 1 3 ABA N N 0.943 1.242 2.536 1.00 . A A . 3 AIB N 1 1
14 2579 1 1 3 ABA O O 0.492 -2.122 2.507 1.00 . A A . 3 AIB O 1 1
14 2580 1 1 4 ABA C C 3.558 -1.880 -0.544 1.00 . A A . 4 AIB C 1 1
14 2581 1 1 4 ABA CA C 2.644 -2.318 0.617 1.00 . A A . 4 AIB CA 1 1
14 2582 1 1 4 ABA H H 3.016 -0.448 1.517 1.00 . A A . 4 AIB H 1 1
14 2583 1 1 4 ABA N N 2.388 -1.206 1.544 1.00 . A A . 4 AIB N 1 1
14 2584 1 1 4 ABA O O 4.239 -2.745 -1.116 1.00 . A A . 4 AIB O 1 1
14 2585 1 1 5 ABA C C 5.687 -0.778 -2.110 1.00 . A A . 5 AIB C 1 1
14 2586 1 1 5 ABA CA C 4.369 0.007 -1.952 1.00 . A A . 5 AIB CA 1 1
14 2587 1 1 5 ABA H H 2.980 0.095 -0.371 1.00 . A A . 5 AIB H 1 1
14 2588 1 1 5 ABA N N 3.547 -0.545 -0.864 1.00 . A A . 5 AIB N 1 1
14 2589 1 1 5 ABA O O 6.705 -0.350 -1.545 1.00 . A A . 5 AIB O 1 1
14 2590 1 1 6 . C C 7.743 -2.754 -1.863 1.00 . A A . 6 DIV C 1 1
14 2591 1 1 6 . CA C 6.826 -2.758 -3.110 1.00 . A A . 6 DIV CA 1 1
14 2592 1 1 6 . CB1 C 6.488 -4.137 -3.629 1.00 . A A . 6 DIV CB1 1 1
14 2593 1 1 6 . CB2 C 7.632 -2.376 -4.345 1.00 . A A . 6 DIV CB2 1 1
14 2594 1 1 6 . CG1 C 7.650 -5.113 -3.537 1.00 . A A . 6 DIV CG1 1 1
14 2595 1 1 6 . H H 4.797 -2.203 -3.306 1.00 . A A . 6 DIV H 1 1
14 2596 1 1 6 . HB11 H 6.179 -4.085 -4.665 1.00 . A A . 6 DIV HB11 1 1
14 2597 1 1 6 . HB12 H 5.676 -4.548 -3.046 1.00 . A A . 6 DIV HB12 1 1
14 2598 1 1 6 . HB21 H 7.055 -2.565 -5.238 1.00 . A A . 6 DIV HB21 1 1
14 2599 1 1 6 . HB22 H 8.544 -2.953 -4.382 1.00 . A A . 6 DIV HB22 1 1
14 2600 1 1 6 . HB23 H 7.883 -1.327 -4.303 1.00 . A A . 6 DIV HB23 1 1
14 2601 1 1 6 . HG11 H 7.333 -6.079 -3.903 1.00 . A A . 6 DIV HG11 1 1
14 2602 1 1 6 . HG12 H 7.968 -5.209 -2.507 1.00 . A A . 6 DIV HG12 1 1
14 2603 1 1 6 . HG13 H 8.474 -4.759 -4.137 1.00 . A A . 6 DIV HG13 1 1
14 2604 1 1 6 . N N 5.638 -1.912 -2.878 1.00 . A A . 6 DIV N 1 1
14 2605 1 1 6 . O O 8.931 -2.449 -1.964 1.00 . A A . 6 DIV O 1 1
14 2606 1 1 7 GLY C C 8.282 -1.731 1.053 1.00 . A A . 7 GLY C 1 1
14 2607 1 1 7 GLY CA C 7.976 -3.122 0.522 1.00 . A A . 7 GLY CA 1 1
14 2608 1 1 7 GLY H H 6.220 -3.343 -0.637 1.00 . A A . 7 GLY H 1 1
14 2609 1 1 7 GLY HA2 H 8.909 -3.623 0.309 1.00 . A A . 7 GLY HA2 1 1
14 2610 1 1 7 GLY HA3 H 7.450 -3.682 1.284 1.00 . A A . 7 GLY HA3 1 1
14 2611 1 1 7 GLY N N 7.174 -3.100 -0.687 1.00 . A A . 7 GLY N 1 1
14 2612 1 1 7 GLY O O 9.323 -1.518 1.667 1.00 . A A . 7 GLY O 1 1
14 2613 1 1 8 LEU C C 9.030 1.017 1.160 1.00 . A A . 8 LEU C 1 1
14 2614 1 1 8 LEU CA C 7.569 0.594 1.278 1.00 . A A . 8 LEU CA 1 1
14 2615 1 1 8 LEU CB C 7.086 0.758 2.724 1.00 . A A . 8 LEU CB 1 1
14 2616 1 1 8 LEU CD1 C 8.966 0.349 4.337 1.00 . A A . 8 LEU CD1 1 1
14 2617 1 1 8 LEU CD2 C 6.678 -0.524 4.838 1.00 . A A . 8 LEU CD2 1 1
14 2618 1 1 8 LEU CG C 7.686 -0.218 3.742 1.00 . A A . 8 LEU CG 1 1
14 2619 1 1 8 LEU H H 6.563 -1.005 0.319 1.00 . A A . 8 LEU H 1 1
14 2620 1 1 8 LEU HA H 6.976 1.234 0.641 1.00 . A A . 8 LEU HA 1 1
14 2621 1 1 8 LEU HB2 H 7.320 1.763 3.045 1.00 . A A . 8 LEU HB2 1 1
14 2622 1 1 8 LEU HB3 H 6.013 0.638 2.737 1.00 . A A . 8 LEU HB3 1 1
14 2623 1 1 8 LEU HD11 H 8.829 1.398 4.555 1.00 . A A . 8 LEU HD11 1 1
14 2624 1 1 8 LEU HD12 H 9.202 -0.179 5.250 1.00 . A A . 8 LEU HD12 1 1
14 2625 1 1 8 LEU HD13 H 9.776 0.230 3.633 1.00 . A A . 8 LEU HD13 1 1
14 2626 1 1 8 LEU HD21 H 5.800 0.090 4.703 1.00 . A A . 8 LEU HD21 1 1
14 2627 1 1 8 LEU HD22 H 6.398 -1.567 4.788 1.00 . A A . 8 LEU HD22 1 1
14 2628 1 1 8 LEU HD23 H 7.119 -0.317 5.801 1.00 . A A . 8 LEU HD23 1 1
14 2629 1 1 8 LEU HG H 7.932 -1.143 3.246 1.00 . A A . 8 LEU HG 1 1
14 2630 1 1 8 LEU N N 7.377 -0.781 0.818 1.00 . A A . 8 LEU N 1 1
14 2631 1 1 8 LEU O O 9.575 1.635 2.090 1.00 . A A . 8 LEU O 1 1
14 2632 1 1 9 ABA C C 11.954 0.641 0.887 1.00 . A A . 9 AIB C 1 1
14 2633 1 1 9 ABA CA C 11.031 1.014 -0.293 1.00 . A A . 9 AIB CA 1 1
14 2634 1 1 9 ABA H H 9.115 0.196 -0.683 1.00 . A A . 9 AIB H 1 1
14 2635 1 1 9 ABA N N 9.631 0.677 -0.003 1.00 . A A . 9 AIB N 1 1
14 2636 1 1 9 ABA O O 13.007 1.280 1.043 1.00 . A A . 9 AIB O 1 1
14 2637 1 1 10 ABA C C 13.743 -1.279 2.415 1.00 . A A . 10 AIB C 1 1
14 2638 1 1 10 ABA CA C 12.326 -0.844 2.843 1.00 . A A . 10 AIB CA 1 1
14 2639 1 1 10 ABA H H 10.691 -0.862 1.514 1.00 . A A . 10 AIB H 1 1
14 2640 1 1 10 ABA N N 11.539 -0.388 1.688 1.00 . A A . 10 AIB N 1 1
14 2641 1 1 10 ABA O O 14.719 -0.863 3.039 1.00 . A A . 10 AIB O 1 1
14 2642 1 1 11 HYP C C 15.898 -1.530 0.006 1.00 . A A . 11 HYP C 1 1
14 2643 1 1 11 HYP CA C 15.229 -2.537 0.938 1.00 . A A . 11 HYP CA 1 1
14 2644 1 1 11 HYP CB C 15.021 -3.877 0.203 1.00 . A A . 11 HYP CB 1 1
14 2645 1 1 11 HYP CD C 12.895 -2.852 0.521 1.00 . A A . 11 HYP CD 1 1
14 2646 1 1 11 HYP CG C 13.532 -4.206 0.310 1.00 . A A . 11 HYP CG 1 1
14 2647 1 1 11 HYP HA H 15.864 -2.697 1.796 1.00 . A A . 11 HYP HA 1 1
14 2648 1 1 11 HYP HB2 H 15.622 -4.639 0.675 1.00 . A A . 11 HYP HB2 1 1
14 2649 1 1 11 HYP HB3 H 15.323 -3.769 -0.829 1.00 . A A . 11 HYP HB3 1 1
14 2650 1 1 11 HYP HD1 H 13.851 -4.723 2.172 1.00 . A A . 11 HYP HD1 1 1
14 2651 1 1 11 HYP HD22 H 12.744 -2.355 -0.426 1.00 . A A . 11 HYP HD22 1 1
14 2652 1 1 11 HYP HD23 H 11.958 -2.958 1.046 1.00 . A A . 11 HYP HD23 1 1
14 2653 1 1 11 HYP HG H 13.208 -4.589 -0.647 1.00 . A A . 11 HYP HG 1 1
14 2654 1 1 11 HYP N N 13.883 -2.122 1.347 1.00 . A A . 11 HYP N 1 1
14 2655 1 1 11 HYP O O 16.705 -1.906 -0.844 1.00 . A A . 11 HYP O 1 1
14 2656 1 1 11 HYP OD1 O 13.267 -4.993 1.459 1.00 . A A . 11 HYP OD1 1 1
14 2657 1 1 12 GLN C C 17.236 1.555 0.078 1.00 . A A . 12 GLN C 1 1
14 2658 1 1 12 GLN CA C 16.155 0.788 -0.676 1.00 . A A . 12 GLN CA 1 1
14 2659 1 1 12 GLN CB C 15.077 1.754 -1.173 1.00 . A A . 12 GLN CB 1 1
14 2660 1 1 12 GLN CD C 15.255 0.862 -3.530 1.00 . A A . 12 GLN CD 1 1
14 2661 1 1 12 GLN CG C 14.328 1.249 -2.395 1.00 . A A . 12 GLN CG 1 1
14 2662 1 1 12 GLN H H 14.918 -0.002 0.857 1.00 . A A . 12 GLN H 1 1
14 2663 1 1 12 GLN HA H 16.607 0.303 -1.527 1.00 . A A . 12 GLN HA 1 1
14 2664 1 1 12 GLN HB2 H 14.365 1.921 -0.382 1.00 . A A . 12 GLN HB2 1 1
14 2665 1 1 12 GLN HB3 H 15.545 2.694 -1.428 1.00 . A A . 12 GLN HB3 1 1
14 2666 1 1 12 GLN HE21 H 14.991 2.637 -4.386 1.00 . A A . 12 GLN HE21 1 1
14 2667 1 1 12 GLN HE22 H 16.048 1.552 -5.217 1.00 . A A . 12 GLN HE22 1 1
14 2668 1 1 12 GLN HG2 H 13.751 0.382 -2.114 1.00 . A A . 12 GLN HG2 1 1
14 2669 1 1 12 GLN HG3 H 13.662 2.027 -2.742 1.00 . A A . 12 GLN HG3 1 1
14 2670 1 1 12 GLN N N 15.567 -0.251 0.164 1.00 . A A . 12 GLN N 1 1
14 2671 1 1 12 GLN NE2 N 15.451 1.776 -4.473 1.00 . A A . 12 GLN NE2 1 1
14 2672 1 1 12 GLN O O 18.146 2.118 -0.554 1.00 . A A . 12 GLN O 1 1
14 2673 1 1 12 GLN OE1 O 15.788 -0.247 -3.560 1.00 . A A . 12 GLN OE1 1 1
14 2674 1 1 13 . C C 19.531 1.976 1.832 1.00 . A A . 13 DIV C 1 1
14 2675 1 1 13 . CA C 18.082 2.254 2.301 1.00 . A A . 13 DIV CA 1 1
14 2676 1 1 13 . CB1 C 17.804 3.711 2.494 1.00 . A A . 13 DIV CB1 1 1
14 2677 1 1 13 . CB2 C 17.904 1.971 3.787 1.00 . A A . 13 DIV CB2 1 1
14 2678 1 1 13 . CG1 C 17.879 4.509 1.201 1.00 . A A . 13 DIV CG1 1 1
14 2679 1 1 13 . H H 16.361 1.085 1.837 1.00 . A A . 13 DIV H 1 1
14 2680 1 1 13 . HB11 H 18.526 4.131 3.177 1.00 . A A . 13 DIV HB11 1 1
14 2681 1 1 13 . HB12 H 16.813 3.842 2.904 1.00 . A A . 13 DIV HB12 1 1
14 2682 1 1 13 . HB21 H 16.914 2.272 4.100 1.00 . A A . 13 DIV HB21 1 1
14 2683 1 1 13 . HB22 H 18.638 2.525 4.354 1.00 . A A . 13 DIV HB22 1 1
14 2684 1 1 13 . HB23 H 18.029 0.918 3.979 1.00 . A A . 13 DIV HB23 1 1
14 2685 1 1 13 . HG11 H 18.868 4.418 0.769 1.00 . A A . 13 DIV HG11 1 1
14 2686 1 1 13 . HG12 H 17.677 5.549 1.412 1.00 . A A . 13 DIV HG12 1 1
14 2687 1 1 13 . HG13 H 17.143 4.139 0.500 1.00 . A A . 13 DIV HG13 1 1
14 2688 1 1 13 . N N 17.114 1.560 1.426 1.00 . A A . 13 DIV N 1 1
14 2689 1 1 13 . O O 20.328 2.912 1.822 1.00 . A A . 13 DIV O 1 1
14 2690 1 1 14 . C C 22.028 1.652 0.536 1.00 . A A . 14 0AZ C 1 1
14 2691 1 1 14 . CA C 21.216 0.413 0.917 1.00 . A A . 14 0AZ CA 1 1
14 2692 1 1 14 . CB C 21.816 -0.302 2.125 1.00 . A A . 14 0AZ CB 1 1
14 2693 1 1 14 . CD C 19.422 -0.557 2.077 1.00 . A A . 14 0AZ CD 1 1
14 2694 1 1 14 . CG C 20.691 -1.228 2.596 1.00 . A A . 14 0AZ CG 1 1
14 2695 1 1 14 . HA H 21.184 -0.271 0.067 1.00 . A A . 14 0AZ HA 1 1
14 2696 1 1 14 . HB2 H 22.087 0.419 2.896 1.00 . A A . 14 0AZ HB2 1 1
14 2697 1 1 14 . HB3 H 22.688 -0.861 1.822 1.00 . A A . 14 0AZ HB3 1 1
14 2698 1 1 14 . HD1 H 20.399 -2.140 4.307 1.00 . A A . 14 0AZ HD1 1 1
14 2699 1 1 14 . HD22 H 18.929 -1.201 1.365 1.00 . A A . 14 0AZ HD22 1 1
14 2700 1 1 14 . HD23 H 18.763 -0.346 2.903 1.00 . A A . 14 0AZ HD23 1 1
14 2701 1 1 14 . HG H 20.807 -2.172 2.085 1.00 . A A . 14 0AZ HG 1 1
14 2702 1 1 14 . N N 19.872 0.703 1.412 1.00 . A A . 14 0AZ N 1 1
14 2703 1 1 14 . O O 23.176 1.791 0.986 1.00 . A A . 14 0AZ O 1 1
14 2704 1 1 14 . OD1 O 20.616 -1.253 4.012 1.00 . A A . 14 0AZ OD1 1 1
14 2705 1 1 15 ABA C C 23.553 3.739 -0.571 1.00 . A A . 15 AIB C 1 1
14 2706 1 1 15 ABA CA C 22.023 3.773 -0.762 1.00 . A A . 15 AIB CA 1 1
14 2707 1 1 15 ABA H H 20.482 2.335 -0.594 1.00 . A A . 15 AIB H 1 1
14 2708 1 1 15 ABA N N 21.394 2.528 -0.293 1.00 . A A . 15 AIB N 1 1
14 2709 1 1 15 ABA O O 24.275 3.485 -1.534 1.00 . A A . 15 AIB O 1 1
14 2710 1 1 16 PRO C C 26.201 2.861 0.033 1.00 . A A . 16 PRO C 1 1
14 2711 1 1 16 PRO CA C 25.531 3.956 0.857 1.00 . A A . 16 PRO CA 1 1
14 2712 1 1 16 PRO CB C 25.693 3.664 2.343 1.00 . A A . 16 PRO CB 1 1
14 2713 1 1 16 PRO CD C 23.405 4.255 1.988 1.00 . A A . 16 PRO CD 1 1
14 2714 1 1 16 PRO CG C 24.537 4.343 2.977 1.00 . A A . 16 PRO CG 1 1
14 2715 1 1 16 PRO HA H 25.983 4.910 0.624 1.00 . A A . 16 PRO HA 1 1
14 2716 1 1 16 PRO HB2 H 25.668 2.596 2.509 1.00 . A A . 16 PRO HB2 1 1
14 2717 1 1 16 PRO HB3 H 26.631 4.069 2.694 1.00 . A A . 16 PRO HB3 1 1
14 2718 1 1 16 PRO HD2 H 22.742 3.443 2.249 1.00 . A A . 16 PRO HD2 1 1
14 2719 1 1 16 PRO HD3 H 22.862 5.188 1.963 1.00 . A A . 16 PRO HD3 1 1
14 2720 1 1 16 PRO HG2 H 24.272 3.837 3.894 1.00 . A A . 16 PRO HG2 1 1
14 2721 1 1 16 PRO HG3 H 24.782 5.376 3.175 1.00 . A A . 16 PRO HG3 1 1
14 2722 1 1 16 PRO N N 24.073 3.990 0.672 1.00 . A A . 16 PRO N 1 1
14 2723 1 1 16 PRO O O 27.369 2.982 -0.341 1.00 . A A . 16 PRO O 1 1
14 2724 1 1 17 PDH C C 24.922 -0.504 -0.967 1.00 . A A . 17 PDH C 1 1
14 2725 1 1 17 PDH CA C 26.004 0.643 -1.067 1.00 . A A . 17 PDH CA 1 1
14 2726 1 1 17 PDH CB C 26.737 0.955 -2.336 1.00 . A A . 17 PDH CB 1 1
14 2727 1 1 17 PDH CD1 C 28.697 -0.106 -3.518 1.00 . A A . 17 PDH CD1 1 1
14 2728 1 1 17 PDH CD2 C 29.031 0.728 -1.298 1.00 . A A . 17 PDH CD2 1 1
14 2729 1 1 17 PDH CE1 C 30.023 -0.508 -3.569 1.00 . A A . 17 PDH CE1 1 1
14 2730 1 1 17 PDH CE2 C 30.358 0.328 -1.345 1.00 . A A . 17 PDH CE2 1 1
14 2731 1 1 17 PDH CG C 28.186 0.516 -2.384 1.00 . A A . 17 PDH CG 1 1
14 2732 1 1 17 PDH CZ C 30.853 -0.291 -2.481 1.00 . A A . 17 PDH CZ 1 1
14 2733 1 1 17 PDH H1 H 23.937 -0.080 -1.106 1.00 . A A . 17 PDH H1 1 1
14 2734 1 1 17 PDH H2 H 24.980 -0.965 0.007 1.00 . A A . 17 PDH H2 1 1
14 2735 1 1 17 PDH HA H 26.838 0.343 -0.700 1.00 . A A . 17 PDH HA 1 1
14 2736 1 1 17 PDH HD1 H 28.050 -0.275 -4.367 1.00 . A A . 17 PDH HD1 1 1
14 2737 1 1 17 PDH HD2 H 28.645 1.210 -0.413 1.00 . A A . 17 PDH HD2 1 1
14 2738 1 1 17 PDH HE1 H 30.408 -0.990 -4.456 1.00 . A A . 17 PDH HE1 1 1
14 2739 1 1 17 PDH HE2 H 31.003 0.497 -0.496 1.00 . A A . 17 PDH HE2 1 1
14 2740 1 1 17 PDH HN H 24.541 1.755 0.061 1.00 . A A . 17 PDH HN 1 1
14 2741 1 1 17 PDH HO H 24.781 -2.334 -1.648 1.00 . A A . 17 PDH HO 1 1
14 2742 1 1 17 PDH HZ H 31.887 -0.603 -2.519 1.00 . A A . 17 PDH HZ 1 1
14 2743 1 1 17 PDH N N 25.458 1.794 -0.253 1.00 . A A . 17 PDH N 1 1
14 2744 1 1 17 PDH O O 25.134 -1.497 -1.955 1.00 . A A . 17 PDH O 1 1
15 2745 1 1 1 ACE C C 0.631 4.247 1.287 1.00 . A A . 1 ACE C 1 1
15 2746 1 1 1 ACE CH3 C 2.151 4.522 1.269 1.00 . A A . 1 ACE CH3 1 1
15 2747 1 1 1 ACE H1 H 2.556 4.282 0.298 1.00 . A A . 1 ACE H1 1 1
15 2748 1 1 1 ACE H2 H 2.642 3.921 2.019 1.00 . A A . 1 ACE H2 1 1
15 2749 1 1 1 ACE H3 H 2.335 5.568 1.479 1.00 . A A . 1 ACE H3 1 1
15 2750 1 1 1 ACE O O 0.666 4.701 2.431 1.00 . A A . 1 ACE O 1 1
15 2751 1 1 2 PHE C C 1.910 1.677 2.647 1.00 . A A . 2 PHE C 1 1
15 2752 1 1 2 PHE CA C 0.497 2.147 2.298 1.00 . A A . 2 PHE CA 1 1
15 2753 1 1 2 PHE CB C -0.440 0.939 2.185 1.00 . A A . 2 PHE CB 1 1
15 2754 1 1 2 PHE CD1 C -2.396 2.033 3.313 1.00 . A A . 2 PHE CD1 1 1
15 2755 1 1 2 PHE CD2 C -1.745 -0.145 4.034 1.00 . A A . 2 PHE CD2 1 1
15 2756 1 1 2 PHE CE1 C -3.418 2.038 4.244 1.00 . A A . 2 PHE CE1 1 1
15 2757 1 1 2 PHE CE2 C -2.764 -0.145 4.967 1.00 . A A . 2 PHE CE2 1 1
15 2758 1 1 2 PHE CG C -1.550 0.942 3.198 1.00 . A A . 2 PHE CG 1 1
15 2759 1 1 2 PHE CZ C -3.601 0.948 5.072 1.00 . A A . 2 PHE CZ 1 1
15 2760 1 1 2 PHE H H 1.294 2.550 0.650 1.00 . A A . 2 PHE H 1 1
15 2761 1 1 2 PHE HA H 0.143 2.787 3.092 1.00 . A A . 2 PHE HA 1 1
15 2762 1 1 2 PHE HB2 H -0.893 0.925 1.203 1.00 . A A . 2 PHE HB2 1 1
15 2763 1 1 2 PHE HB3 H 0.133 0.033 2.323 1.00 . A A . 2 PHE HB3 1 1
15 2764 1 1 2 PHE HD1 H -2.253 2.885 2.665 1.00 . A A . 2 PHE HD1 1 1
15 2765 1 1 2 PHE HD2 H -1.090 -1.001 3.952 1.00 . A A . 2 PHE HD2 1 1
15 2766 1 1 2 PHE HE1 H -4.070 2.895 4.324 1.00 . A A . 2 PHE HE1 1 1
15 2767 1 1 2 PHE HE2 H -2.906 -0.999 5.614 1.00 . A A . 2 PHE HE2 1 1
15 2768 1 1 2 PHE HZ H -4.398 0.951 5.801 1.00 . A A . 2 PHE HZ 1 1
15 2769 1 1 2 PHE N N 0.483 2.928 1.056 1.00 . A A . 2 PHE N 1 1
15 2770 1 1 2 PHE O O 2.715 1.417 1.737 1.00 . A A . 2 PHE O 1 1
15 2771 1 1 3 ABA C C 3.785 -0.313 4.045 1.00 . A A . 3 AIB C 1 1
15 2772 1 1 3 ABA CA C 3.482 1.136 4.477 1.00 . A A . 3 AIB CA 1 1
15 2773 1 1 3 ABA H H 1.474 1.804 4.616 1.00 . A A . 3 AIB H 1 1
15 2774 1 1 3 ABA N N 2.175 1.577 3.971 1.00 . A A . 3 AIB N 1 1
15 2775 1 1 3 ABA O O 3.869 -1.190 4.921 1.00 . A A . 3 AIB O 1 1
15 2776 1 1 4 ABA C C 4.776 -1.763 0.716 1.00 . A A . 4 AIB C 1 1
15 2777 1 1 4 ABA CA C 4.224 -1.860 2.152 1.00 . A A . 4 AIB CA 1 1
15 2778 1 1 4 ABA H H 3.858 0.211 2.061 1.00 . A A . 4 AIB H 1 1
15 2779 1 1 4 ABA N N 3.939 -0.529 2.704 1.00 . A A . 4 AIB N 1 1
15 2780 1 1 4 ABA O O 5.624 -2.595 0.353 1.00 . A A . 4 AIB O 1 1
15 2781 1 1 5 ABA C C 6.071 -1.220 -1.726 1.00 . A A . 5 AIB C 1 1
15 2782 1 1 5 ABA CA C 4.712 -0.543 -1.457 1.00 . A A . 5 AIB CA 1 1
15 2783 1 1 5 ABA H H 3.599 -0.123 0.276 1.00 . A A . 5 AIB H 1 1
15 2784 1 1 5 ABA N N 4.277 -0.751 -0.067 1.00 . A A . 5 AIB N 1 1
15 2785 1 1 5 ABA O O 7.109 -0.570 -1.528 1.00 . A A . 5 AIB O 1 1
15 2786 1 1 6 . C C 8.359 -2.971 -1.431 1.00 . A A . 6 DIV C 1 1
15 2787 1 1 6 . CA C 7.257 -3.283 -2.474 1.00 . A A . 6 DIV CA 1 1
15 2788 1 1 6 . CB1 C 7.011 -4.755 -2.689 1.00 . A A . 6 DIV CB1 1 1
15 2789 1 1 6 . CB2 C 7.796 -3.059 -3.883 1.00 . A A . 6 DIV CB2 1 1
15 2790 1 1 6 . CG1 C 5.848 -5.050 -3.625 1.00 . A A . 6 DIV CG1 1 1
15 2791 1 1 6 . H H 5.173 -2.981 -2.315 1.00 . A A . 6 DIV H 1 1
15 2792 1 1 6 . HB11 H 6.787 -5.220 -1.741 1.00 . A A . 6 DIV HB11 1 1
15 2793 1 1 6 . HB12 H 7.894 -5.220 -3.104 1.00 . A A . 6 DIV HB12 1 1
15 2794 1 1 6 . HB21 H 8.249 -2.080 -3.945 1.00 . A A . 6 DIV HB21 1 1
15 2795 1 1 6 . HB22 H 6.990 -3.117 -4.596 1.00 . A A . 6 DIV HB22 1 1
15 2796 1 1 6 . HB23 H 8.539 -3.806 -4.120 1.00 . A A . 6 DIV HB23 1 1
15 2797 1 1 6 . HG11 H 6.068 -4.668 -4.609 1.00 . A A . 6 DIV HG11 1 1
15 2798 1 1 6 . HG12 H 4.947 -4.586 -3.250 1.00 . A A . 6 DIV HG12 1 1
15 2799 1 1 6 . HG13 H 5.701 -6.118 -3.683 1.00 . A A . 6 DIV HG13 1 1
15 2800 1 1 6 . N N 6.031 -2.515 -2.175 1.00 . A A . 6 DIV N 1 1
15 2801 1 1 6 . O O 9.356 -2.326 -1.751 1.00 . A A . 6 DIV O 1 1
15 2802 1 1 7 GLY C C 9.242 -1.732 1.236 1.00 . A A . 7 GLY C 1 1
15 2803 1 1 7 GLY CA C 9.156 -3.196 0.849 1.00 . A A . 7 GLY CA 1 1
15 2804 1 1 7 GLY H H 7.354 -3.962 0.046 1.00 . A A . 7 GLY H 1 1
15 2805 1 1 7 GLY HA2 H 10.119 -3.520 0.488 1.00 . A A . 7 GLY HA2 1 1
15 2806 1 1 7 GLY HA3 H 8.900 -3.773 1.725 1.00 . A A . 7 GLY HA3 1 1
15 2807 1 1 7 GLY N N 8.163 -3.444 -0.181 1.00 . A A . 7 GLY N 1 1
15 2808 1 1 7 GLY O O 10.267 -1.278 1.746 1.00 . A A . 7 GLY O 1 1
15 2809 1 1 8 LEU C C 9.476 1.091 1.180 1.00 . A A . 8 LEU C 1 1
15 2810 1 1 8 LEU CA C 8.107 0.426 1.317 1.00 . A A . 8 LEU CA 1 1
15 2811 1 1 8 LEU CB C 7.569 0.628 2.737 1.00 . A A . 8 LEU CB 1 1
15 2812 1 1 8 LEU CD1 C 9.074 1.162 4.670 1.00 . A A . 8 LEU CD1 1 1
15 2813 1 1 8 LEU CD2 C 7.615 -0.868 4.748 1.00 . A A . 8 LEU CD2 1 1
15 2814 1 1 8 LEU CG C 8.439 0.046 3.854 1.00 . A A . 8 LEU CG 1 1
15 2815 1 1 8 LEU H H 7.380 -1.422 0.586 1.00 . A A . 8 LEU H 1 1
15 2816 1 1 8 LEU HA H 7.428 0.894 0.620 1.00 . A A . 8 LEU HA 1 1
15 2817 1 1 8 LEU HB2 H 7.462 1.690 2.910 1.00 . A A . 8 LEU HB2 1 1
15 2818 1 1 8 LEU HB3 H 6.593 0.171 2.798 1.00 . A A . 8 LEU HB3 1 1
15 2819 1 1 8 LEU HD11 H 8.654 2.111 4.372 1.00 . A A . 8 LEU HD11 1 1
15 2820 1 1 8 LEU HD12 H 8.880 0.996 5.719 1.00 . A A . 8 LEU HD12 1 1
15 2821 1 1 8 LEU HD13 H 10.141 1.171 4.499 1.00 . A A . 8 LEU HD13 1 1
15 2822 1 1 8 LEU HD21 H 6.605 -0.490 4.818 1.00 . A A . 8 LEU HD21 1 1
15 2823 1 1 8 LEU HD22 H 7.600 -1.863 4.330 1.00 . A A . 8 LEU HD22 1 1
15 2824 1 1 8 LEU HD23 H 8.056 -0.898 5.734 1.00 . A A . 8 LEU HD23 1 1
15 2825 1 1 8 LEU HG H 9.232 -0.539 3.414 1.00 . A A . 8 LEU HG 1 1
15 2826 1 1 8 LEU N N 8.163 -0.997 0.993 1.00 . A A . 8 LEU N 1 1
15 2827 1 1 8 LEU O O 10.084 1.468 2.196 1.00 . A A . 8 LEU O 1 1
15 2828 1 1 9 ABA C C 12.395 0.925 -0.079 1.00 . A A . 9 AIB C 1 1
15 2829 1 1 9 ABA CA C 11.214 1.864 -0.401 1.00 . A A . 9 AIB CA 1 1
15 2830 1 1 9 ABA H H 9.369 0.911 -0.829 1.00 . A A . 9 AIB H 1 1
15 2831 1 1 9 ABA N N 9.925 1.230 -0.089 1.00 . A A . 9 AIB N 1 1
15 2832 1 1 9 ABA O O 13.533 1.416 0.006 1.00 . A A . 9 AIB O 1 1
15 2833 1 1 10 ABA C C 14.231 -1.419 -0.684 1.00 . A A . 10 AIB C 1 1
15 2834 1 1 10 ABA CA C 13.132 -1.399 0.399 1.00 . A A . 10 AIB CA 1 1
15 2835 1 1 10 ABA H H 11.173 -0.731 0.011 1.00 . A A . 10 AIB H 1 1
15 2836 1 1 10 ABA N N 12.098 -0.401 0.091 1.00 . A A . 10 AIB N 1 1
15 2837 1 1 10 ABA O O 15.414 -1.443 -0.344 1.00 . A A . 10 AIB O 1 1
15 2838 1 1 11 HYP C C 15.555 -0.053 -3.250 1.00 . A A . 11 HYP C 1 1
15 2839 1 1 11 HYP CA C 14.911 -1.422 -3.041 1.00 . A A . 11 HYP CA 1 1
15 2840 1 1 11 HYP CB C 14.183 -1.854 -4.325 1.00 . A A . 11 HYP CB 1 1
15 2841 1 1 11 HYP CD C 12.539 -1.521 -2.660 1.00 . A A . 11 HYP CD 1 1
15 2842 1 1 11 HYP CG C 12.816 -2.364 -3.881 1.00 . A A . 11 HYP CG 1 1
15 2843 1 1 11 HYP HA H 15.682 -2.141 -2.807 1.00 . A A . 11 HYP HA 1 1
15 2844 1 1 11 HYP HB2 H 14.751 -2.631 -4.816 1.00 . A A . 11 HYP HB2 1 1
15 2845 1 1 11 HYP HB3 H 14.087 -1.006 -4.986 1.00 . A A . 11 HYP HB3 1 1
15 2846 1 1 11 HYP HD1 H 13.530 -3.812 -2.765 1.00 . A A . 11 HYP HD1 1 1
15 2847 1 1 11 HYP HD22 H 12.167 -0.550 -2.950 1.00 . A A . 11 HYP HD22 1 1
15 2848 1 1 11 HYP HD23 H 11.832 -2.019 -2.016 1.00 . A A . 11 HYP HD23 1 1
15 2849 1 1 11 HYP HG H 12.100 -2.105 -4.646 1.00 . A A . 11 HYP HG 1 1
15 2850 1 1 11 HYP N N 13.864 -1.406 -2.003 1.00 . A A . 11 HYP N 1 1
15 2851 1 1 11 HYP O O 16.298 0.150 -4.210 1.00 . A A . 11 HYP O 1 1
15 2852 1 1 11 HYP OD1 O 12.884 -3.719 -3.470 1.00 . A A . 11 HYP OD1 1 1
15 2853 1 1 12 GLN C C 16.733 2.547 -1.280 1.00 . A A . 12 GLN C 1 1
15 2854 1 1 12 GLN CA C 15.821 2.229 -2.461 1.00 . A A . 12 GLN CA 1 1
15 2855 1 1 12 GLN CB C 14.693 3.259 -2.541 1.00 . A A . 12 GLN CB 1 1
15 2856 1 1 12 GLN CD C 14.609 3.578 -5.045 1.00 . A A . 12 GLN CD 1 1
15 2857 1 1 12 GLN CG C 13.853 3.147 -3.803 1.00 . A A . 12 GLN CG 1 1
15 2858 1 1 12 GLN H H 14.665 0.671 -1.612 1.00 . A A . 12 GLN H 1 1
15 2859 1 1 12 GLN HA H 16.402 2.276 -3.369 1.00 . A A . 12 GLN HA 1 1
15 2860 1 1 12 GLN HB2 H 14.042 3.129 -1.689 1.00 . A A . 12 GLN HB2 1 1
15 2861 1 1 12 GLN HB3 H 15.122 4.250 -2.505 1.00 . A A . 12 GLN HB3 1 1
15 2862 1 1 12 GLN HE21 H 14.262 1.814 -5.895 1.00 . A A . 12 GLN HE21 1 1
15 2863 1 1 12 GLN HE22 H 15.173 2.938 -6.841 1.00 . A A . 12 GLN HE22 1 1
15 2864 1 1 12 GLN HG2 H 13.545 2.120 -3.926 1.00 . A A . 12 GLN HG2 1 1
15 2865 1 1 12 GLN HG3 H 12.980 3.774 -3.696 1.00 . A A . 12 GLN HG3 1 1
15 2866 1 1 12 GLN N N 15.266 0.884 -2.355 1.00 . A A . 12 GLN N 1 1
15 2867 1 1 12 GLN NE2 N 14.689 2.687 -6.027 1.00 . A A . 12 GLN NE2 1 1
15 2868 1 1 12 GLN O O 17.896 2.936 -1.485 1.00 . A A . 12 GLN O 1 1
15 2869 1 1 12 GLN OE1 O 15.112 4.698 -5.123 1.00 . A A . 12 GLN OE1 1 1
15 2870 1 1 13 . C C 18.397 2.193 1.053 1.00 . A A . 13 DIV C 1 1
15 2871 1 1 13 . CA C 16.922 2.646 1.190 1.00 . A A . 13 DIV CA 1 1
15 2872 1 1 13 . CB1 C 16.758 4.055 1.704 1.00 . A A . 13 DIV CB1 1 1
15 2873 1 1 13 . CB2 C 16.298 2.048 2.442 1.00 . A A . 13 DIV CB2 1 1
15 2874 1 1 13 . CG1 C 17.135 5.103 0.668 1.00 . A A . 13 DIV CG1 1 1
15 2875 1 1 13 . H H 15.250 2.066 -0.001 1.00 . A A . 13 DIV H 1 1
15 2876 1 1 13 . HB11 H 17.392 4.202 2.565 1.00 . A A . 13 DIV HB11 1 1
15 2877 1 1 13 . HB12 H 15.729 4.232 1.988 1.00 . A A . 13 DIV HB12 1 1
15 2878 1 1 13 . HB21 H 16.282 0.971 2.365 1.00 . A A . 13 DIV HB21 1 1
15 2879 1 1 13 . HB22 H 15.286 2.411 2.554 1.00 . A A . 13 DIV HB22 1 1
15 2880 1 1 13 . HB23 H 16.875 2.334 3.309 1.00 . A A . 13 DIV HB23 1 1
15 2881 1 1 13 . HG11 H 18.176 4.990 0.395 1.00 . A A . 13 DIV HG11 1 1
15 2882 1 1 13 . HG12 H 16.982 6.087 1.087 1.00 . A A . 13 DIV HG12 1 1
15 2883 1 1 13 . HG13 H 16.515 4.991 -0.212 1.00 . A A . 13 DIV HG13 1 1
15 2884 1 1 13 . N N 16.178 2.376 -0.060 1.00 . A A . 13 DIV N 1 1
15 2885 1 1 13 . O O 19.272 2.926 1.509 1.00 . A A . 13 DIV O 1 1
15 2886 1 1 14 . C C 21.149 1.485 0.745 1.00 . A A . 14 0AZ C 1 1
15 2887 1 1 14 . CA C 20.058 0.524 0.241 1.00 . A A . 14 0AZ CA 1 1
15 2888 1 1 14 . CB C 20.029 -0.745 1.092 1.00 . A A . 14 0AZ CB 1 1
15 2889 1 1 14 . CD C 17.806 -0.214 0.355 1.00 . A A . 14 0AZ CD 1 1
15 2890 1 1 14 . CG C 18.692 -1.395 0.737 1.00 . A A . 14 0AZ CG 1 1
15 2891 1 1 14 . HA H 20.255 0.248 -0.798 1.00 . A A . 14 0AZ HA 1 1
15 2892 1 1 14 . HB2 H 20.079 -0.491 2.150 1.00 . A A . 14 0AZ HB2 1 1
15 2893 1 1 14 . HB3 H 20.861 -1.380 0.828 1.00 . A A . 14 0AZ HB3 1 1
15 2894 1 1 14 . HD1 H 18.695 -2.707 2.202 1.00 . A A . 14 0AZ HD1 1 1
15 2895 1 1 14 . HD22 H 17.424 -0.349 -0.646 1.00 . A A . 14 0AZ HD22 1 1
15 2896 1 1 14 . HD23 H 16.989 -0.133 1.053 1.00 . A A . 14 0AZ HD23 1 1
15 2897 1 1 14 . HG H 18.844 -2.004 -0.142 1.00 . A A . 14 0AZ HG 1 1
15 2898 1 1 14 . N N 18.678 0.998 0.420 1.00 . A A . 14 0AZ N 1 1
15 2899 1 1 14 . O O 21.908 1.106 1.652 1.00 . A A . 14 0AZ O 1 1
15 2900 1 1 14 . OD1 O 18.113 -2.018 1.873 1.00 . A A . 14 0AZ OD1 1 1
15 2901 1 1 15 ABA C C 23.328 3.141 1.374 1.00 . A A . 15 AIB C 1 1
15 2902 1 1 15 ABA CA C 22.188 3.739 0.523 1.00 . A A . 15 AIB CA 1 1
15 2903 1 1 15 ABA H H 20.562 2.952 -0.560 1.00 . A A . 15 AIB H 1 1
15 2904 1 1 15 ABA N N 21.200 2.715 0.147 1.00 . A A . 15 AIB N 1 1
15 2905 1 1 15 ABA O O 24.404 2.868 0.840 1.00 . A A . 15 AIB O 1 1
15 2906 1 1 16 PRO C C 25.014 1.306 2.780 1.00 . A A . 16 PRO C 1 1
15 2907 1 1 16 PRO CA C 24.212 2.370 3.524 1.00 . A A . 16 PRO CA 1 1
15 2908 1 1 16 PRO CB C 23.493 1.747 4.716 1.00 . A A . 16 PRO CB 1 1
15 2909 1 1 16 PRO CD C 21.905 3.119 3.574 1.00 . A A . 16 PRO CD 1 1
15 2910 1 1 16 PRO CG C 22.321 2.626 4.935 1.00 . A A . 16 PRO CG 1 1
15 2911 1 1 16 PRO HA H 24.882 3.143 3.871 1.00 . A A . 16 PRO HA 1 1
15 2912 1 1 16 PRO HB2 H 23.192 0.737 4.471 1.00 . A A . 16 PRO HB2 1 1
15 2913 1 1 16 PRO HB3 H 24.148 1.738 5.576 1.00 . A A . 16 PRO HB3 1 1
15 2914 1 1 16 PRO HD2 H 21.078 2.531 3.202 1.00 . A A . 16 PRO HD2 1 1
15 2915 1 1 16 PRO HD3 H 21.628 4.162 3.630 1.00 . A A . 16 PRO HD3 1 1
15 2916 1 1 16 PRO HG2 H 21.520 2.063 5.390 1.00 . A A . 16 PRO HG2 1 1
15 2917 1 1 16 PRO HG3 H 22.601 3.458 5.564 1.00 . A A . 16 PRO HG3 1 1
15 2918 1 1 16 PRO N N 23.120 2.932 2.714 1.00 . A A . 16 PRO N 1 1
15 2919 1 1 16 PRO O O 26.221 1.174 2.984 1.00 . A A . 16 PRO O 1 1
15 2920 1 1 17 PDH C C 25.256 -1.733 2.152 1.00 . A A . 17 PDH C 1 1
15 2921 1 1 17 PDH CA C 25.024 -0.549 1.133 1.00 . A A . 17 PDH CA 1 1
15 2922 1 1 17 PDH CB C 24.641 -0.787 -0.295 1.00 . A A . 17 PDH CB 1 1
15 2923 1 1 17 PDH CD1 C 26.276 0.805 -1.350 1.00 . A A . 17 PDH CD1 1 1
15 2924 1 1 17 PDH CD2 C 23.967 0.979 -1.956 1.00 . A A . 17 PDH CD2 1 1
15 2925 1 1 17 PDH CE1 C 26.581 1.856 -2.201 1.00 . A A . 17 PDH CE1 1 1
15 2926 1 1 17 PDH CE2 C 24.266 2.029 -2.809 1.00 . A A . 17 PDH CE2 1 1
15 2927 1 1 17 PDH CG C 24.967 0.356 -1.217 1.00 . A A . 17 PDH CG 1 1
15 2928 1 1 17 PDH CZ C 25.575 2.468 -2.932 1.00 . A A . 17 PDH CZ 1 1
15 2929 1 1 17 PDH H1 H 24.305 -2.176 2.408 1.00 . A A . 17 PDH H1 1 1
15 2930 1 1 17 PDH H2 H 25.725 -1.349 3.047 1.00 . A A . 17 PDH H2 1 1
15 2931 1 1 17 PDH HA H 25.873 -0.232 0.795 1.00 . A A . 17 PDH HA 1 1
15 2932 1 1 17 PDH HD1 H 27.060 0.329 -0.780 1.00 . A A . 17 PDH HD1 1 1
15 2933 1 1 17 PDH HD2 H 22.946 0.637 -1.860 1.00 . A A . 17 PDH HD2 1 1
15 2934 1 1 17 PDH HE1 H 27.602 2.197 -2.296 1.00 . A A . 17 PDH HE1 1 1
15 2935 1 1 17 PDH HE2 H 23.481 2.506 -3.377 1.00 . A A . 17 PDH HE2 1 1
15 2936 1 1 17 PDH HN H 23.377 0.692 1.803 1.00 . A A . 17 PDH HN 1 1
15 2937 1 1 17 PDH HO H 26.410 -2.446 0.737 1.00 . A A . 17 PDH HO 1 1
15 2938 1 1 17 PDH HZ H 25.810 3.286 -3.597 1.00 . A A . 17 PDH HZ 1 1
15 2939 1 1 17 PDH N N 24.340 0.546 1.924 1.00 . A A . 17 PDH N 1 1
15 2940 1 1 17 PDH O O 26.090 -2.735 1.595 1.00 . A A . 17 PDH O 1 1
16 2941 1 1 1 ACE C C 1.317 5.132 1.271 1.00 . A A . 1 ACE C 1 1
16 2942 1 1 1 ACE CH3 C 2.430 5.175 2.340 1.00 . A A . 1 ACE CH3 1 1
16 2943 1 1 1 ACE H1 H 3.388 4.972 1.885 1.00 . A A . 1 ACE H1 1 1
16 2944 1 1 1 ACE H2 H 2.234 4.436 3.105 1.00 . A A . 1 ACE H2 1 1
16 2945 1 1 1 ACE H3 H 2.457 6.156 2.797 1.00 . A A . 1 ACE H3 1 1
16 2946 1 1 1 ACE O O 0.544 5.303 2.214 1.00 . A A . 1 ACE O 1 1
16 2947 1 1 2 PHE C C 1.517 1.932 2.119 1.00 . A A . 2 PHE C 1 1
16 2948 1 1 2 PHE CA C 0.640 2.885 1.304 1.00 . A A . 2 PHE CA 1 1
16 2949 1 1 2 PHE CB C -0.142 2.093 0.252 1.00 . A A . 2 PHE CB 1 1
16 2950 1 1 2 PHE CD1 C -1.874 3.772 -0.430 1.00 . A A . 2 PHE CD1 1 1
16 2951 1 1 2 PHE CD2 C -2.608 1.712 0.522 1.00 . A A . 2 PHE CD2 1 1
16 2952 1 1 2 PHE CE1 C -3.186 4.184 -0.560 1.00 . A A . 2 PHE CE1 1 1
16 2953 1 1 2 PHE CE2 C -3.923 2.119 0.393 1.00 . A A . 2 PHE CE2 1 1
16 2954 1 1 2 PHE CG C -1.570 2.534 0.111 1.00 . A A . 2 PHE CG 1 1
16 2955 1 1 2 PHE CZ C -4.212 3.356 -0.148 1.00 . A A . 2 PHE CZ 1 1
16 2956 1 1 2 PHE H H 2.320 3.551 0.803 1.00 . A A . 2 PHE H 1 1
16 2957 1 1 2 PHE HA H -0.062 3.360 1.969 1.00 . A A . 2 PHE HA 1 1
16 2958 1 1 2 PHE HB2 H 0.338 2.212 -0.708 1.00 . A A . 2 PHE HB2 1 1
16 2959 1 1 2 PHE HB3 H -0.140 1.048 0.524 1.00 . A A . 2 PHE HB3 1 1
16 2960 1 1 2 PHE HD1 H -1.072 4.419 -0.752 1.00 . A A . 2 PHE HD1 1 1
16 2961 1 1 2 PHE HD2 H -2.384 0.744 0.944 1.00 . A A . 2 PHE HD2 1 1
16 2962 1 1 2 PHE HE1 H -3.409 5.153 -0.982 1.00 . A A . 2 PHE HE1 1 1
16 2963 1 1 2 PHE HE2 H -4.723 1.469 0.715 1.00 . A A . 2 PHE HE2 1 1
16 2964 1 1 2 PHE HZ H -5.239 3.676 -0.248 1.00 . A A . 2 PHE HZ 1 1
16 2965 1 1 2 PHE N N 1.431 3.938 0.652 1.00 . A A . 2 PHE N 1 1
16 2966 1 1 2 PHE O O 2.647 1.624 1.703 1.00 . A A . 2 PHE O 1 1
16 2967 1 1 3 ABA C C 1.855 -0.822 3.515 1.00 . A A . 3 AIB C 1 1
16 2968 1 1 3 ABA CA C 1.673 0.561 4.169 1.00 . A A . 3 AIB CA 1 1
16 2969 1 1 3 ABA H H 0.066 1.781 3.515 1.00 . A A . 3 AIB H 1 1
16 2970 1 1 3 ABA N N 0.967 1.484 3.270 1.00 . A A . 3 AIB N 1 1
16 2971 1 1 3 ABA O O 1.288 -1.802 4.029 1.00 . A A . 3 AIB O 1 1
16 2972 1 1 4 ABA C C 3.547 -1.857 0.303 1.00 . A A . 4 AIB C 1 1
16 2973 1 1 4 ABA CA C 2.894 -2.125 1.673 1.00 . A A . 4 AIB CA 1 1
16 2974 1 1 4 ABA H H 3.061 -0.055 2.040 1.00 . A A . 4 AIB H 1 1
16 2975 1 1 4 ABA N N 2.639 -0.871 2.396 1.00 . A A . 4 AIB N 1 1
16 2976 1 1 4 ABA O O 4.221 -2.761 -0.214 1.00 . A A . 4 AIB O 1 1
16 2977 1 1 5 ABA C C 5.106 -1.098 -1.924 1.00 . A A . 5 AIB C 1 1
16 2978 1 1 5 ABA CA C 3.887 -0.230 -1.553 1.00 . A A . 5 AIB CA 1 1
16 2979 1 1 5 ABA H H 2.777 0.058 0.210 1.00 . A A . 5 AIB H 1 1
16 2980 1 1 5 ABA N N 3.327 -0.619 -0.252 1.00 . A A . 5 AIB N 1 1
16 2981 1 1 5 ABA O O 6.243 -0.663 -1.682 1.00 . A A . 5 AIB O 1 1
16 2982 1 1 6 . C C 7.113 -3.144 -1.934 1.00 . A A . 6 DIV C 1 1
16 2983 1 1 6 . CA C 5.915 -3.242 -2.909 1.00 . A A . 6 DIV CA 1 1
16 2984 1 1 6 . CB1 C 5.445 -4.637 -3.157 1.00 . A A . 6 DIV CB1 1 1
16 2985 1 1 6 . CB2 C 6.377 -3.080 -4.350 1.00 . A A . 6 DIV CB2 1 1
16 2986 1 1 6 . CG1 C 4.861 -5.295 -1.914 1.00 . A A . 6 DIV CG1 1 1
16 2987 1 1 6 . H H 3.914 -2.604 -2.675 1.00 . A A . 6 DIV H 1 1
16 2988 1 1 6 . HB11 H 6.271 -5.246 -3.492 1.00 . A A . 6 DIV HB11 1 1
16 2989 1 1 6 . HB12 H 4.678 -4.633 -3.918 1.00 . A A . 6 DIV HB12 1 1
16 2990 1 1 6 . HB21 H 6.790 -2.091 -4.491 1.00 . A A . 6 DIV HB21 1 1
16 2991 1 1 6 . HB22 H 5.540 -3.215 -5.019 1.00 . A A . 6 DIV HB22 1 1
16 2992 1 1 6 . HB23 H 7.134 -3.816 -4.575 1.00 . A A . 6 DIV HB23 1 1
16 2993 1 1 6 . HG11 H 4.554 -6.302 -2.157 1.00 . A A . 6 DIV HG11 1 1
16 2994 1 1 6 . HG12 H 4.004 -4.733 -1.570 1.00 . A A . 6 DIV HG12 1 1
16 2995 1 1 6 . HG13 H 5.608 -5.331 -1.132 1.00 . A A . 6 DIV HG13 1 1
16 2996 1 1 6 . N N 4.841 -2.312 -2.505 1.00 . A A . 6 DIV N 1 1
16 2997 1 1 6 . O O 8.228 -2.829 -2.348 1.00 . A A . 6 DIV O 1 1
16 2998 1 1 7 GLY C C 8.352 -1.939 0.673 1.00 . A A . 7 GLY C 1 1
16 2999 1 1 7 GLY CA C 7.939 -3.361 0.338 1.00 . A A . 7 GLY CA 1 1
16 3000 1 1 7 GLY H H 5.960 -3.679 -0.335 1.00 . A A . 7 GLY H 1 1
16 3001 1 1 7 GLY HA2 H 8.795 -3.889 -0.056 1.00 . A A . 7 GLY HA2 1 1
16 3002 1 1 7 GLY HA3 H 7.615 -3.851 1.244 1.00 . A A . 7 GLY HA3 1 1
16 3003 1 1 7 GLY N N 6.865 -3.425 -0.636 1.00 . A A . 7 GLY N 1 1
16 3004 1 1 7 GLY O O 9.476 -1.705 1.103 1.00 . A A . 7 GLY O 1 1
16 3005 1 1 8 LEU C C 9.156 0.810 0.461 1.00 . A A . 8 LEU C 1 1
16 3006 1 1 8 LEU CA C 7.707 0.418 0.770 1.00 . A A . 8 LEU CA 1 1
16 3007 1 1 8 LEU CB C 7.365 0.756 2.229 1.00 . A A . 8 LEU CB 1 1
16 3008 1 1 8 LEU CD1 C 8.992 0.467 4.114 1.00 . A A . 8 LEU CD1 1 1
16 3009 1 1 8 LEU CD2 C 6.782 -0.697 4.188 1.00 . A A . 8 LEU CD2 1 1
16 3010 1 1 8 LEU CG C 7.908 -0.207 3.288 1.00 . A A . 8 LEU CG 1 1
16 3011 1 1 8 LEU H H 6.557 -1.247 0.141 1.00 . A A . 8 LEU H 1 1
16 3012 1 1 8 LEU HA H 7.062 0.999 0.128 1.00 . A A . 8 LEU HA 1 1
16 3013 1 1 8 LEU HB2 H 7.749 1.742 2.444 1.00 . A A . 8 LEU HB2 1 1
16 3014 1 1 8 LEU HB3 H 6.288 0.785 2.322 1.00 . A A . 8 LEU HB3 1 1
16 3015 1 1 8 LEU HD11 H 8.839 1.537 4.105 1.00 . A A . 8 LEU HD11 1 1
16 3016 1 1 8 LEU HD12 H 8.947 0.106 5.130 1.00 . A A . 8 LEU HD12 1 1
16 3017 1 1 8 LEU HD13 H 9.961 0.239 3.693 1.00 . A A . 8 LEU HD13 1 1
16 3018 1 1 8 LEU HD21 H 5.902 -0.891 3.592 1.00 . A A . 8 LEU HD21 1 1
16 3019 1 1 8 LEU HD22 H 7.087 -1.605 4.686 1.00 . A A . 8 LEU HD22 1 1
16 3020 1 1 8 LEU HD23 H 6.556 0.059 4.926 1.00 . A A . 8 LEU HD23 1 1
16 3021 1 1 8 LEU HG H 8.346 -1.064 2.802 1.00 . A A . 8 LEU HG 1 1
16 3022 1 1 8 LEU N N 7.440 -0.993 0.484 1.00 . A A . 8 LEU N 1 1
16 3023 1 1 8 LEU O O 9.745 1.627 1.190 1.00 . A A . 8 LEU O 1 1
16 3024 1 1 9 ABA C C 12.104 0.205 -0.017 1.00 . A A . 9 AIB C 1 1
16 3025 1 1 9 ABA CA C 11.058 0.528 -1.103 1.00 . A A . 9 AIB CA 1 1
16 3026 1 1 9 ABA H H 9.141 -0.382 -1.172 1.00 . A A . 9 AIB H 1 1
16 3027 1 1 9 ABA N N 9.690 0.235 -0.644 1.00 . A A . 9 AIB N 1 1
16 3028 1 1 9 ABA O O 13.235 0.708 -0.118 1.00 . A A . 9 AIB O 1 1
16 3029 1 1 10 ABA C C 13.986 -1.459 1.547 1.00 . A A . 10 AIB C 1 1
16 3030 1 1 10 ABA CA C 12.608 -1.019 2.086 1.00 . A A . 10 AIB CA 1 1
16 3031 1 1 10 ABA H H 10.794 -0.999 1.020 1.00 . A A . 10 AIB H 1 1
16 3032 1 1 10 ABA N N 11.707 -0.628 0.993 1.00 . A A . 10 AIB N 1 1
16 3033 1 1 10 ABA O O 15.004 -1.179 2.180 1.00 . A A . 10 AIB O 1 1
16 3034 1 1 11 HYP C C 16.108 -1.438 -0.853 1.00 . A A . 11 HYP C 1 1
16 3035 1 1 11 HYP CA C 15.361 -2.573 -0.152 1.00 . A A . 11 HYP CA 1 1
16 3036 1 1 11 HYP CB C 15.045 -3.693 -1.160 1.00 . A A . 11 HYP CB 1 1
16 3037 1 1 11 HYP CD C 12.988 -2.738 -0.488 1.00 . A A . 11 HYP CD 1 1
16 3038 1 1 11 HYP CG C 13.579 -4.052 -0.940 1.00 . A A . 11 HYP CG 1 1
16 3039 1 1 11 HYP HA H 15.983 -2.969 0.637 1.00 . A A . 11 HYP HA 1 1
16 3040 1 1 11 HYP HB2 H 15.687 -4.540 -0.970 1.00 . A A . 11 HYP HB2 1 1
16 3041 1 1 11 HYP HB3 H 15.211 -3.330 -2.164 1.00 . A A . 11 HYP HB3 1 1
16 3042 1 1 11 HYP HD1 H 13.610 -4.543 0.957 1.00 . A A . 11 HYP HD1 1 1
16 3043 1 1 11 HYP HD22 H 12.787 -2.103 -1.338 1.00 . A A . 11 HYP HD22 1 1
16 3044 1 1 11 HYP HD23 H 12.086 -2.909 0.079 1.00 . A A . 11 HYP HD23 1 1
16 3045 1 1 11 HYP HG H 13.152 -4.309 -1.897 1.00 . A A . 11 HYP HG 1 1
16 3046 1 1 11 HYP N N 14.048 -2.152 0.368 1.00 . A A . 11 HYP N 1 1
16 3047 1 1 11 HYP O O 17.088 -1.678 -1.558 1.00 . A A . 11 HYP O 1 1
16 3048 1 1 11 HYP OD1 O 13.433 -4.982 0.121 1.00 . A A . 11 HYP OD1 1 1
16 3049 1 1 12 GLN C C 17.427 1.480 -0.429 1.00 . A A . 12 GLN C 1 1
16 3050 1 1 12 GLN CA C 16.278 0.952 -1.282 1.00 . A A . 12 GLN CA 1 1
16 3051 1 1 12 GLN CB C 15.249 2.060 -1.516 1.00 . A A . 12 GLN CB 1 1
16 3052 1 1 12 GLN CD C 14.966 1.601 -3.984 1.00 . A A . 12 GLN CD 1 1
16 3053 1 1 12 GLN CG C 14.275 1.757 -2.643 1.00 . A A . 12 GLN CG 1 1
16 3054 1 1 12 GLN H H 14.860 -0.072 -0.090 1.00 . A A . 12 GLN H 1 1
16 3055 1 1 12 GLN HA H 16.674 0.637 -2.237 1.00 . A A . 12 GLN HA 1 1
16 3056 1 1 12 GLN HB2 H 14.683 2.205 -0.608 1.00 . A A . 12 GLN HB2 1 1
16 3057 1 1 12 GLN HB3 H 15.770 2.975 -1.754 1.00 . A A . 12 GLN HB3 1 1
16 3058 1 1 12 GLN HE21 H 13.215 1.322 -4.883 1.00 . A A . 12 GLN HE21 1 1
16 3059 1 1 12 GLN HE22 H 14.602 1.270 -5.910 1.00 . A A . 12 GLN HE22 1 1
16 3060 1 1 12 GLN HG2 H 13.755 0.840 -2.415 1.00 . A A . 12 GLN HG2 1 1
16 3061 1 1 12 GLN HG3 H 13.563 2.565 -2.714 1.00 . A A . 12 GLN HG3 1 1
16 3062 1 1 12 GLN N N 15.645 -0.206 -0.660 1.00 . A A . 12 GLN N 1 1
16 3063 1 1 12 GLN NE2 N 14.182 1.375 -5.032 1.00 . A A . 12 GLN NE2 1 1
16 3064 1 1 12 GLN O O 18.358 2.105 -0.965 1.00 . A A . 12 GLN O 1 1
16 3065 1 1 12 GLN OE1 O 16.190 1.684 -4.077 1.00 . A A . 12 GLN OE1 1 1
16 3066 1 1 13 . C C 19.750 1.730 1.174 1.00 . A A . 13 DIV C 1 1
16 3067 1 1 13 . CA C 18.364 1.656 1.861 1.00 . A A . 13 DIV CA 1 1
16 3068 1 1 13 . CB1 C 17.977 2.901 2.621 1.00 . A A . 13 DIV CB1 1 1
16 3069 1 1 13 . CB2 C 18.461 0.769 3.100 1.00 . A A . 13 DIV CB2 1 1
16 3070 1 1 13 . CG1 C 16.564 2.840 3.177 1.00 . A A . 13 DIV CG1 1 1
16 3071 1 1 13 . H H 16.563 0.715 1.229 1.00 . A A . 13 DIV H 1 1
16 3072 1 1 13 . HB11 H 18.034 3.757 1.965 1.00 . A A . 13 DIV HB11 1 1
16 3073 1 1 13 . HB12 H 18.653 3.049 3.451 1.00 . A A . 13 DIV HB12 1 1
16 3074 1 1 13 . HB21 H 18.202 1.313 3.999 1.00 . A A . 13 DIV HB21 1 1
16 3075 1 1 13 . HB22 H 19.471 0.397 3.195 1.00 . A A . 13 DIV HB22 1 1
16 3076 1 1 13 . HB23 H 17.789 -0.069 2.993 1.00 . A A . 13 DIV HB23 1 1
16 3077 1 1 13 . HG11 H 15.856 2.766 2.363 1.00 . A A . 13 DIV HG11 1 1
16 3078 1 1 13 . HG12 H 16.364 3.740 3.742 1.00 . A A . 13 DIV HG12 1 1
16 3079 1 1 13 . HG13 H 16.460 1.981 3.827 1.00 . A A . 13 DIV HG13 1 1
16 3080 1 1 13 . N N 17.335 1.216 0.895 1.00 . A A . 13 DIV N 1 1
16 3081 1 1 13 . O O 20.404 2.764 1.290 1.00 . A A . 13 DIV O 1 1
16 3082 1 1 14 . C C 22.386 1.865 0.055 1.00 . A A . 14 0AZ C 1 1
16 3083 1 1 14 . CA C 21.499 0.635 -0.223 1.00 . A A . 14 0AZ CA 1 1
16 3084 1 1 14 . CB C 22.136 -0.610 0.399 1.00 . A A . 14 0AZ CB 1 1
16 3085 1 1 14 . CD C 19.744 -0.779 0.539 1.00 . A A . 14 0AZ CD 1 1
16 3086 1 1 14 . CG C 21.002 -1.634 0.433 1.00 . A A . 14 0AZ CG 1 1
16 3087 1 1 14 . HA H 21.390 0.474 -1.301 1.00 . A A . 14 0AZ HA 1 1
16 3088 1 1 14 . HB2 H 22.500 -0.387 1.402 1.00 . A A . 14 0AZ HB2 1 1
16 3089 1 1 14 . HB3 H 22.954 -0.947 -0.221 1.00 . A A . 14 0AZ HB3 1 1
16 3090 1 1 14 . HD1 H 21.674 -2.024 2.230 1.00 . A A . 14 0AZ HD1 1 1
16 3091 1 1 14 . HD22 H 19.075 -1.006 -0.277 1.00 . A A . 14 0AZ HD22 1 1
16 3092 1 1 14 . HD23 H 19.251 -0.967 1.482 1.00 . A A . 14 0AZ HD23 1 1
16 3093 1 1 14 . HG H 20.987 -2.141 -0.521 1.00 . A A . 14 0AZ HG 1 1
16 3094 1 1 14 . N N 20.198 0.640 0.460 1.00 . A A . 14 0AZ N 1 1
16 3095 1 1 14 . O O 23.415 1.704 0.724 1.00 . A A . 14 0AZ O 1 1
16 3096 1 1 14 . OD1 O 21.078 -2.436 1.600 1.00 . A A . 14 0AZ OD1 1 1
16 3097 1 1 15 ABA C C 24.055 4.080 0.480 1.00 . A A . 15 AIB C 1 1
16 3098 1 1 15 ABA CA C 22.724 4.323 -0.262 1.00 . A A . 15 AIB CA 1 1
16 3099 1 1 15 ABA H H 21.135 3.144 -0.970 1.00 . A A . 15 AIB H 1 1
16 3100 1 1 15 ABA N N 21.970 3.072 -0.457 1.00 . A A . 15 AIB N 1 1
16 3101 1 1 15 ABA O O 25.117 4.152 -0.139 1.00 . A A . 15 AIB O 1 1
16 3102 1 1 16 PRO C C 26.336 2.835 1.726 1.00 . A A . 16 PRO C 1 1
16 3103 1 1 16 PRO CA C 25.293 3.595 2.545 1.00 . A A . 16 PRO CA 1 1
16 3104 1 1 16 PRO CB C 24.871 2.774 3.759 1.00 . A A . 16 PRO CB 1 1
16 3105 1 1 16 PRO CD C 22.871 3.600 2.752 1.00 . A A . 16 PRO CD 1 1
16 3106 1 1 16 PRO CG C 23.507 3.266 4.074 1.00 . A A . 16 PRO CG 1 1
16 3107 1 1 16 PRO HA H 25.717 4.532 2.874 1.00 . A A . 16 PRO HA 1 1
16 3108 1 1 16 PRO HB2 H 24.868 1.724 3.506 1.00 . A A . 16 PRO HB2 1 1
16 3109 1 1 16 PRO HB3 H 25.555 2.955 4.576 1.00 . A A . 16 PRO HB3 1 1
16 3110 1 1 16 PRO HD2 H 22.253 2.780 2.417 1.00 . A A . 16 PRO HD2 1 1
16 3111 1 1 16 PRO HD3 H 22.283 4.503 2.838 1.00 . A A . 16 PRO HD3 1 1
16 3112 1 1 16 PRO HG2 H 22.945 2.492 4.575 1.00 . A A . 16 PRO HG2 1 1
16 3113 1 1 16 PRO HG3 H 23.568 4.148 4.693 1.00 . A A . 16 PRO HG3 1 1
16 3114 1 1 16 PRO N N 24.027 3.808 1.820 1.00 . A A . 16 PRO N 1 1
16 3115 1 1 16 PRO O O 27.539 3.007 1.926 1.00 . A A . 16 PRO O 1 1
16 3116 1 1 17 PDH C C 26.037 -0.186 -0.333 1.00 . A A . 17 PDH C 1 1
16 3117 1 1 17 PDH CA C 26.799 1.172 -0.063 1.00 . A A . 17 PDH CA 1 1
16 3118 1 1 17 PDH CB C 27.627 1.850 -1.121 1.00 . A A . 17 PDH CB 1 1
16 3119 1 1 17 PDH CD1 C 29.496 3.511 -0.800 1.00 . A A . 17 PDH CD1 1 1
16 3120 1 1 17 PDH CD2 C 29.894 1.222 -0.223 1.00 . A A . 17 PDH CD2 1 1
16 3121 1 1 17 PDH CE1 C 30.789 3.834 -0.420 1.00 . A A . 17 PDH CE1 1 1
16 3122 1 1 17 PDH CE2 C 31.187 1.539 0.159 1.00 . A A . 17 PDH CE2 1 1
16 3123 1 1 17 PDH CG C 29.036 2.203 -0.706 1.00 . A A . 17 PDH CG 1 1
16 3124 1 1 17 PDH CZ C 31.636 2.847 0.061 1.00 . A A . 17 PDH CZ 1 1
16 3125 1 1 17 PDH H1 H 25.102 0.022 -0.832 1.00 . A A . 17 PDH H1 1 1
16 3126 1 1 17 PDH H2 H 25.841 -0.679 0.609 1.00 . A A . 17 PDH H2 1 1
16 3127 1 1 17 PDH HA H 27.619 0.997 0.408 1.00 . A A . 17 PDH HA 1 1
16 3128 1 1 17 PDH HD1 H 28.836 4.280 -1.174 1.00 . A A . 17 PDH HD1 1 1
16 3129 1 1 17 PDH HD2 H 29.545 0.203 -0.147 1.00 . A A . 17 PDH HD2 1 1
16 3130 1 1 17 PDH HE1 H 31.137 4.855 -0.497 1.00 . A A . 17 PDH HE1 1 1
16 3131 1 1 17 PDH HE2 H 31.845 0.769 0.533 1.00 . A A . 17 PDH HE2 1 1
16 3132 1 1 17 PDH HN H 24.902 1.895 0.702 1.00 . A A . 17 PDH HN 1 1
16 3133 1 1 17 PDH HO H 26.229 -1.682 -1.583 1.00 . A A . 17 PDH HO 1 1
16 3134 1 1 17 PDH HZ H 32.644 3.096 0.357 1.00 . A A . 17 PDH HZ 1 1
16 3135 1 1 17 PDH N N 25.871 1.992 0.813 1.00 . A A . 17 PDH N 1 1
16 3136 1 1 17 PDH O O 26.807 -1.051 -1.148 1.00 . A A . 17 PDH O 1 1
17 3137 1 1 1 ACE C C -0.434 3.949 1.450 1.00 . A A . 1 ACE C 1 1
17 3138 1 1 1 ACE CH3 C 0.991 4.223 1.981 1.00 . A A . 1 ACE CH3 1 1
17 3139 1 1 1 ACE H1 H 1.666 4.393 1.155 1.00 . A A . 1 ACE H1 1 1
17 3140 1 1 1 ACE H2 H 1.338 3.378 2.556 1.00 . A A . 1 ACE H2 1 1
17 3141 1 1 1 ACE H3 H 0.981 5.100 2.615 1.00 . A A . 1 ACE H3 1 1
17 3142 1 1 1 ACE O O -0.759 3.918 2.637 1.00 . A A . 1 ACE O 1 1
17 3143 1 1 2 PHE C C 0.724 1.085 2.105 1.00 . A A . 2 PHE C 1 1
17 3144 1 1 2 PHE CA C -0.581 1.621 1.520 1.00 . A A . 2 PHE CA 1 1
17 3145 1 1 2 PHE CB C -1.262 0.537 0.679 1.00 . A A . 2 PHE CB 1 1
17 3146 1 1 2 PHE CD1 C -3.702 -0.042 0.575 1.00 . A A . 2 PHE CD1 1 1
17 3147 1 1 2 PHE CD2 C -2.519 -0.496 2.596 1.00 . A A . 2 PHE CD2 1 1
17 3148 1 1 2 PHE CE1 C -4.859 -0.546 1.134 1.00 . A A . 2 PHE CE1 1 1
17 3149 1 1 2 PHE CE2 C -3.675 -1.001 3.161 1.00 . A A . 2 PHE CE2 1 1
17 3150 1 1 2 PHE CG C -2.518 -0.011 1.297 1.00 . A A . 2 PHE CG 1 1
17 3151 1 1 2 PHE CZ C -4.846 -1.026 2.430 1.00 . A A . 2 PHE CZ 1 1
17 3152 1 1 2 PHE H H 0.572 2.640 0.452 1.00 . A A . 2 PHE H 1 1
17 3153 1 1 2 PHE HA H -1.236 1.889 2.335 1.00 . A A . 2 PHE HA 1 1
17 3154 1 1 2 PHE HB2 H -1.523 0.950 -0.285 1.00 . A A . 2 PHE HB2 1 1
17 3155 1 1 2 PHE HB3 H -0.574 -0.283 0.539 1.00 . A A . 2 PHE HB3 1 1
17 3156 1 1 2 PHE HD1 H -3.713 0.332 -0.439 1.00 . A A . 2 PHE HD1 1 1
17 3157 1 1 2 PHE HD2 H -1.604 -0.476 3.170 1.00 . A A . 2 PHE HD2 1 1
17 3158 1 1 2 PHE HE1 H -5.774 -0.564 0.560 1.00 . A A . 2 PHE HE1 1 1
17 3159 1 1 2 PHE HE2 H -3.662 -1.375 4.174 1.00 . A A . 2 PHE HE2 1 1
17 3160 1 1 2 PHE HZ H -5.749 -1.421 2.869 1.00 . A A . 2 PHE HZ 1 1
17 3161 1 1 2 PHE N N -0.357 2.826 0.714 1.00 . A A . 2 PHE N 1 1
17 3162 1 1 2 PHE O O 1.744 1.043 1.398 1.00 . A A . 2 PHE O 1 1
17 3163 1 1 3 ABA C C 2.346 -1.135 3.444 1.00 . A A . 3 AIB C 1 1
17 3164 1 1 3 ABA CA C 1.825 0.151 4.115 1.00 . A A . 3 AIB CA 1 1
17 3165 1 1 3 ABA H H -0.192 0.765 3.879 1.00 . A A . 3 AIB H 1 1
17 3166 1 1 3 ABA N N 0.659 0.690 3.399 1.00 . A A . 3 AIB N 1 1
17 3167 1 1 3 ABA O O 2.210 -2.215 4.042 1.00 . A A . 3 AIB O 1 1
17 3168 1 1 4 ABA C C 4.264 -1.671 0.226 1.00 . A A . 4 AIB C 1 1
17 3169 1 1 4 ABA CA C 3.464 -2.133 1.461 1.00 . A A . 4 AIB CA 1 1
17 3170 1 1 4 ABA H H 2.999 -0.100 1.797 1.00 . A A . 4 AIB H 1 1
17 3171 1 1 4 ABA N N 2.928 -0.989 2.213 1.00 . A A . 4 AIB N 1 1
17 3172 1 1 4 ABA O O 5.183 -2.399 -0.182 1.00 . A A . 4 AIB O 1 1
17 3173 1 1 5 ABA C C 5.949 -0.566 -1.739 1.00 . A A . 5 AIB C 1 1
17 3174 1 1 5 ABA CA C 4.564 0.076 -1.526 1.00 . A A . 5 AIB CA 1 1
17 3175 1 1 5 ABA H H 3.146 0.055 0.024 1.00 . A A . 5 AIB H 1 1
17 3176 1 1 5 ABA N N 3.890 -0.478 -0.342 1.00 . A A . 5 AIB N 1 1
17 3177 1 1 5 ABA O O 6.945 -0.009 -1.249 1.00 . A A . 5 AIB O 1 1
17 3178 1 1 6 . C C 8.211 -2.331 -1.552 1.00 . A A . 6 DIV C 1 1
17 3179 1 1 6 . CA C 7.245 -2.438 -2.757 1.00 . A A . 6 DIV CA 1 1
17 3180 1 1 6 . CB1 C 7.047 -3.834 -3.309 1.00 . A A . 6 DIV CB1 1 1
17 3181 1 1 6 . CB2 C 7.955 -1.932 -4.005 1.00 . A A . 6 DIV CB2 1 1
17 3182 1 1 6 . CG1 C 8.326 -4.654 -3.334 1.00 . A A . 6 DIV CG1 1 1
17 3183 1 1 6 . H H 5.159 -2.120 -2.842 1.00 . A A . 6 DIV H 1 1
17 3184 1 1 6 . HB11 H 6.667 -3.785 -4.321 1.00 . A A . 6 DIV HB11 1 1
17 3185 1 1 6 . HB12 H 6.333 -4.366 -2.699 1.00 . A A . 6 DIV HB12 1 1
17 3186 1 1 6 . HB21 H 8.051 -0.857 -3.954 1.00 . A A . 6 DIV HB21 1 1
17 3187 1 1 6 . HB22 H 7.391 -2.192 -4.889 1.00 . A A . 6 DIV HB22 1 1
17 3188 1 1 6 . HB23 H 8.940 -2.368 -4.070 1.00 . A A . 6 DIV HB23 1 1
17 3189 1 1 6 . HG11 H 8.107 -5.642 -3.714 1.00 . A A . 6 DIV HG11 1 1
17 3190 1 1 6 . HG12 H 8.727 -4.738 -2.333 1.00 . A A . 6 DIV HG12 1 1
17 3191 1 1 6 . HG13 H 9.053 -4.180 -3.974 1.00 . A A . 6 DIV HG13 1 1
17 3192 1 1 6 . N N 5.984 -1.725 -2.472 1.00 . A A . 6 DIV N 1 1
17 3193 1 1 6 . O O 9.255 -1.686 -1.649 1.00 . A A . 6 DIV O 1 1
17 3194 1 1 7 GLY C C 8.808 -1.488 1.295 1.00 . A A . 7 GLY C 1 1
17 3195 1 1 7 GLY CA C 8.704 -2.900 0.753 1.00 . A A . 7 GLY CA 1 1
17 3196 1 1 7 GLY H H 7.000 -3.471 -0.363 1.00 . A A . 7 GLY H 1 1
17 3197 1 1 7 GLY HA2 H 9.691 -3.244 0.483 1.00 . A A . 7 GLY HA2 1 1
17 3198 1 1 7 GLY HA3 H 8.304 -3.546 1.522 1.00 . A A . 7 GLY HA3 1 1
17 3199 1 1 7 GLY N N 7.846 -2.966 -0.416 1.00 . A A . 7 GLY N 1 1
17 3200 1 1 7 GLY O O 9.800 -1.127 1.928 1.00 . A A . 7 GLY O 1 1
17 3201 1 1 8 LEU C C 9.095 1.377 1.287 1.00 . A A . 8 LEU C 1 1
17 3202 1 1 8 LEU CA C 7.743 0.696 1.491 1.00 . A A . 8 LEU CA 1 1
17 3203 1 1 8 LEU CB C 7.325 0.772 2.963 1.00 . A A . 8 LEU CB 1 1
17 3204 1 1 8 LEU CD1 C 9.028 -0.490 4.299 1.00 . A A . 8 LEU CD1 1 1
17 3205 1 1 8 LEU CD2 C 6.614 -0.573 4.949 1.00 . A A . 8 LEU CD2 1 1
17 3206 1 1 8 LEU CG C 7.595 -0.486 3.791 1.00 . A A . 8 LEU CG 1 1
17 3207 1 1 8 LEU H H 7.018 -1.037 0.525 1.00 . A A . 8 LEU H 1 1
17 3208 1 1 8 LEU HA H 7.006 1.215 0.896 1.00 . A A . 8 LEU HA 1 1
17 3209 1 1 8 LEU HB2 H 7.850 1.597 3.421 1.00 . A A . 8 LEU HB2 1 1
17 3210 1 1 8 LEU HB3 H 6.265 0.978 3.001 1.00 . A A . 8 LEU HB3 1 1
17 3211 1 1 8 LEU HD11 H 9.595 0.271 3.782 1.00 . A A . 8 LEU HD11 1 1
17 3212 1 1 8 LEU HD12 H 9.034 -0.285 5.360 1.00 . A A . 8 LEU HD12 1 1
17 3213 1 1 8 LEU HD13 H 9.472 -1.457 4.117 1.00 . A A . 8 LEU HD13 1 1
17 3214 1 1 8 LEU HD21 H 5.949 0.277 4.922 1.00 . A A . 8 LEU HD21 1 1
17 3215 1 1 8 LEU HD22 H 6.038 -1.483 4.866 1.00 . A A . 8 LEU HD22 1 1
17 3216 1 1 8 LEU HD23 H 7.159 -0.576 5.882 1.00 . A A . 8 LEU HD23 1 1
17 3217 1 1 8 LEU HG H 7.456 -1.358 3.169 1.00 . A A . 8 LEU HG 1 1
17 3218 1 1 8 LEU N N 7.777 -0.688 1.038 1.00 . A A . 8 LEU N 1 1
17 3219 1 1 8 LEU O O 9.686 1.886 2.254 1.00 . A A . 8 LEU O 1 1
17 3220 1 1 9 ABA C C 12.017 1.301 0.325 1.00 . A A . 9 AIB C 1 1
17 3221 1 1 9 ABA CA C 10.827 1.993 -0.370 1.00 . A A . 9 AIB CA 1 1
17 3222 1 1 9 ABA H H 9.007 0.950 -0.686 1.00 . A A . 9 AIB H 1 1
17 3223 1 1 9 ABA N N 9.550 1.374 0.012 1.00 . A A . 9 AIB N 1 1
17 3224 1 1 9 ABA O O 13.146 1.807 0.214 1.00 . A A . 9 AIB O 1 1
17 3225 1 1 10 ABA C C 14.008 -0.848 0.836 1.00 . A A . 10 AIB C 1 1
17 3226 1 1 10 ABA CA C 12.780 -0.600 1.736 1.00 . A A . 10 AIB CA 1 1
17 3227 1 1 10 ABA H H 10.820 -0.198 1.080 1.00 . A A . 10 AIB H 1 1
17 3228 1 1 10 ABA N N 11.739 0.157 1.025 1.00 . A A . 10 AIB N 1 1
17 3229 1 1 10 ABA O O 15.135 -0.839 1.332 1.00 . A A . 10 AIB O 1 1
17 3230 1 1 11 HYP C C 15.705 -0.034 -1.785 1.00 . A A . 11 HYP C 1 1
17 3231 1 1 11 HYP CA C 14.995 -1.319 -1.356 1.00 . A A . 11 HYP CA 1 1
17 3232 1 1 11 HYP CB C 14.439 -2.042 -2.595 1.00 . A A . 11 HYP CB 1 1
17 3233 1 1 11 HYP CD C 12.590 -1.354 -1.280 1.00 . A A . 11 HYP CD 1 1
17 3234 1 1 11 HYP CG C 13.005 -2.433 -2.252 1.00 . A A . 11 HYP CG 1 1
17 3235 1 1 11 HYP HA H 15.708 -1.961 -0.861 1.00 . A A . 11 HYP HA 1 1
17 3236 1 1 11 HYP HB2 H 15.043 -2.914 -2.800 1.00 . A A . 11 HYP HB2 1 1
17 3237 1 1 11 HYP HB3 H 14.472 -1.374 -3.444 1.00 . A A . 11 HYP HB3 1 1
17 3238 1 1 11 HYP HD1 H 13.853 -3.903 -1.287 1.00 . A A . 11 HYP HD1 1 1
17 3239 1 1 11 HYP HD22 H 12.265 -0.471 -1.811 1.00 . A A . 11 HYP HD22 1 1
17 3240 1 1 11 HYP HD23 H 11.802 -1.716 -0.637 1.00 . A A . 11 HYP HD23 1 1
17 3241 1 1 11 HYP HG H 12.411 -2.333 -3.148 1.00 . A A . 11 HYP HG 1 1
17 3242 1 1 11 HYP N N 13.821 -1.077 -0.500 1.00 . A A . 11 HYP N 1 1
17 3243 1 1 11 HYP O O 16.276 0.029 -2.873 1.00 . A A . 11 HYP O 1 1
17 3244 1 1 11 HYP OD1 O 12.964 -3.673 -1.567 1.00 . A A . 11 HYP OD1 1 1
17 3245 1 1 12 GLN C C 17.645 2.391 -0.481 1.00 . A A . 12 GLN C 1 1
17 3246 1 1 12 GLN CA C 16.329 2.254 -1.247 1.00 . A A . 12 GLN CA 1 1
17 3247 1 1 12 GLN CB C 15.404 3.429 -0.921 1.00 . A A . 12 GLN CB 1 1
17 3248 1 1 12 GLN CD C 14.769 3.350 -3.365 1.00 . A A . 12 GLN CD 1 1
17 3249 1 1 12 GLN CG C 14.305 3.639 -1.951 1.00 . A A . 12 GLN CG 1 1
17 3250 1 1 12 GLN H H 15.211 0.889 -0.078 1.00 . A A . 12 GLN H 1 1
17 3251 1 1 12 GLN HA H 16.544 2.260 -2.305 1.00 . A A . 12 GLN HA 1 1
17 3252 1 1 12 GLN HB2 H 14.939 3.253 0.037 1.00 . A A . 12 GLN HB2 1 1
17 3253 1 1 12 GLN HB3 H 15.993 4.332 -0.865 1.00 . A A . 12 GLN HB3 1 1
17 3254 1 1 12 GLN HE21 H 13.627 1.725 -3.432 1.00 . A A . 12 GLN HE21 1 1
17 3255 1 1 12 GLN HE22 H 14.543 2.058 -4.858 1.00 . A A . 12 GLN HE22 1 1
17 3256 1 1 12 GLN HG2 H 13.480 2.984 -1.720 1.00 . A A . 12 GLN HG2 1 1
17 3257 1 1 12 GLN HG3 H 13.972 4.666 -1.900 1.00 . A A . 12 GLN HG3 1 1
17 3258 1 1 12 GLN N N 15.676 0.988 -0.934 1.00 . A A . 12 GLN N 1 1
17 3259 1 1 12 GLN NE2 N 14.262 2.268 -3.943 1.00 . A A . 12 GLN NE2 1 1
17 3260 1 1 12 GLN O O 18.583 3.041 -0.972 1.00 . A A . 12 GLN O 1 1
17 3261 1 1 12 GLN OE1 O 15.575 4.089 -3.930 1.00 . A A . 12 GLN OE1 1 1
17 3262 1 1 13 . C C 20.163 1.581 0.756 1.00 . A A . 13 DIV C 1 1
17 3263 1 1 13 . CA C 18.875 1.798 1.591 1.00 . A A . 13 DIV CA 1 1
17 3264 1 1 13 . CB1 C 18.934 2.992 2.499 1.00 . A A . 13 DIV CB1 1 1
17 3265 1 1 13 . CB2 C 18.817 0.834 2.767 1.00 . A A . 13 DIV CB2 1 1
17 3266 1 1 13 . CG1 C 18.957 4.309 1.737 1.00 . A A . 13 DIV CG1 1 1
17 3267 1 1 13 . H H 16.886 1.279 1.024 1.00 . A A . 13 DIV H 1 1
17 3268 1 1 13 . HB11 H 19.830 2.946 3.103 1.00 . A A . 13 DIV HB11 1 1
17 3269 1 1 13 . HB12 H 18.071 3.006 3.150 1.00 . A A . 13 DIV HB12 1 1
17 3270 1 1 13 . HB21 H 19.699 0.953 3.380 1.00 . A A . 13 DIV HB21 1 1
17 3271 1 1 13 . HB22 H 18.771 -0.182 2.404 1.00 . A A . 13 DIV HB22 1 1
17 3272 1 1 13 . HB23 H 17.940 1.039 3.363 1.00 . A A . 13 DIV HB23 1 1
17 3273 1 1 13 . HG11 H 19.826 4.346 1.093 1.00 . A A . 13 DIV HG11 1 1
17 3274 1 1 13 . HG12 H 19.001 5.126 2.441 1.00 . A A . 13 DIV HG12 1 1
17 3275 1 1 13 . HG13 H 18.060 4.402 1.139 1.00 . A A . 13 DIV HG13 1 1
17 3276 1 1 13 . N N 17.680 1.767 0.720 1.00 . A A . 13 DIV N 1 1
17 3277 1 1 13 . O O 21.181 2.166 1.099 1.00 . A A . 13 DIV O 1 1
17 3278 1 1 14 . C C 22.543 1.378 -0.853 1.00 . A A . 14 0AZ C 1 1
17 3279 1 1 14 . CA C 21.299 0.548 -1.211 1.00 . A A . 14 0AZ CA 1 1
17 3280 1 1 14 . CB C 21.572 -0.936 -0.982 1.00 . A A . 14 0AZ CB 1 1
17 3281 1 1 14 . CD C 19.295 -0.491 -0.419 1.00 . A A . 14 0AZ CD 1 1
17 3282 1 1 14 . CG C 20.186 -1.567 -1.023 1.00 . A A . 14 0AZ CG 1 1
17 3283 1 1 14 . HA H 21.051 0.708 -2.263 1.00 . A A . 14 0AZ HA 1 1
17 3284 1 1 14 . HB2 H 22.052 -1.089 -0.016 1.00 . A A . 14 0AZ HB2 1 1
17 3285 1 1 14 . HB3 H 22.204 -1.316 -1.772 1.00 . A A . 14 0AZ HB3 1 1
17 3286 1 1 14 . HD1 H 20.009 -3.497 -0.705 1.00 . A A . 14 0AZ HD1 1 1
17 3287 1 1 14 . HD22 H 18.428 -0.338 -1.044 1.00 . A A . 14 0AZ HD22 1 1
17 3288 1 1 14 . HD23 H 18.989 -0.793 0.569 1.00 . A A . 14 0AZ HD23 1 1
17 3289 1 1 14 . HG H 19.911 -1.697 -2.059 1.00 . A A . 14 0AZ HG 1 1
17 3290 1 1 14 . N N 20.118 0.762 -0.353 1.00 . A A . 14 0AZ N 1 1
17 3291 1 1 14 . O O 23.614 0.791 -0.617 1.00 . A A . 14 0AZ O 1 1
17 3292 1 1 14 . OD1 O 20.122 -2.704 -0.177 1.00 . A A . 14 0AZ OD1 1 1
17 3293 1 1 15 ABA C C 24.434 3.039 0.558 1.00 . A A . 15 AIB C 1 1
17 3294 1 1 15 ABA CA C 23.503 3.642 -0.515 1.00 . A A . 15 AIB CA 1 1
17 3295 1 1 15 ABA H H 21.520 3.134 -1.023 1.00 . A A . 15 AIB H 1 1
17 3296 1 1 15 ABA N N 22.392 2.733 -0.827 1.00 . A A . 15 AIB N 1 1
17 3297 1 1 15 ABA O O 25.504 2.536 0.218 1.00 . A A . 15 AIB O 1 1
17 3298 1 1 16 PRO C C 25.633 1.247 2.423 1.00 . A A . 16 PRO C 1 1
17 3299 1 1 16 PRO CA C 24.910 2.505 2.899 1.00 . A A . 16 PRO CA 1 1
17 3300 1 1 16 PRO CB C 23.942 2.166 4.042 1.00 . A A . 16 PRO CB 1 1
17 3301 1 1 16 PRO CD C 22.933 3.777 2.548 1.00 . A A . 16 PRO CD 1 1
17 3302 1 1 16 PRO CG C 22.682 2.927 3.764 1.00 . A A . 16 PRO CG 1 1
17 3303 1 1 16 PRO HA H 25.638 3.225 3.245 1.00 . A A . 16 PRO HA 1 1
17 3304 1 1 16 PRO HB2 H 23.761 1.102 4.053 1.00 . A A . 16 PRO HB2 1 1
17 3305 1 1 16 PRO HB3 H 24.380 2.466 4.983 1.00 . A A . 16 PRO HB3 1 1
17 3306 1 1 16 PRO HD2 H 22.056 3.812 1.923 1.00 . A A . 16 PRO HD2 1 1
17 3307 1 1 16 PRO HD3 H 23.228 4.773 2.834 1.00 . A A . 16 PRO HD3 1 1
17 3308 1 1 16 PRO HG2 H 21.875 2.237 3.572 1.00 . A A . 16 PRO HG2 1 1
17 3309 1 1 16 PRO HG3 H 22.441 3.552 4.612 1.00 . A A . 16 PRO HG3 1 1
17 3310 1 1 16 PRO N N 24.043 3.075 1.869 1.00 . A A . 16 PRO N 1 1
17 3311 1 1 16 PRO O O 26.746 0.954 2.862 1.00 . A A . 16 PRO O 1 1
17 3312 1 1 17 PDH C C 24.581 -1.923 1.343 1.00 . A A . 17 PDH C 1 1
17 3313 1 1 17 PDH CA C 25.596 -0.770 0.972 1.00 . A A . 17 PDH CA 1 1
17 3314 1 1 17 PDH CB C 26.329 -0.747 -0.337 1.00 . A A . 17 PDH CB 1 1
17 3315 1 1 17 PDH CD1 C 28.779 -0.573 0.216 1.00 . A A . 17 PDH CD1 1 1
17 3316 1 1 17 PDH CD2 C 27.707 1.304 -0.813 1.00 . A A . 17 PDH CD2 1 1
17 3317 1 1 17 PDH CE1 C 29.979 0.121 0.239 1.00 . A A . 17 PDH CE1 1 1
17 3318 1 1 17 PDH CE2 C 28.905 2.003 -0.793 1.00 . A A . 17 PDH CE2 1 1
17 3319 1 1 17 PDH CG C 27.631 0.011 -0.310 1.00 . A A . 17 PDH CG 1 1
17 3320 1 1 17 PDH CZ C 30.041 1.409 -0.266 1.00 . A A . 17 PDH CZ 1 1
17 3321 1 1 17 PDH H1 H 23.773 -1.930 0.626 1.00 . A A . 17 PDH H1 1 1
17 3322 1 1 17 PDH H2 H 24.185 -1.748 2.331 1.00 . A A . 17 PDH H2 1 1
17 3323 1 1 17 PDH HA H 26.453 -0.935 1.388 1.00 . A A . 17 PDH HA 1 1
17 3324 1 1 17 PDH HD1 H 28.730 -1.577 0.608 1.00 . A A . 17 PDH HD1 1 1
17 3325 1 1 17 PDH HD2 H 26.823 1.767 -1.226 1.00 . A A . 17 PDH HD2 1 1
17 3326 1 1 17 PDH HE1 H 30.864 -0.343 0.650 1.00 . A A . 17 PDH HE1 1 1
17 3327 1 1 17 PDH HE2 H 28.952 3.007 -1.186 1.00 . A A . 17 PDH HE2 1 1
17 3328 1 1 17 PDH HN H 24.108 0.789 1.217 1.00 . A A . 17 PDH HN 1 1
17 3329 1 1 17 PDH HO H 24.746 -3.775 0.725 1.00 . A A . 17 PDH HO 1 1
17 3330 1 1 17 PDH HZ H 30.975 1.952 -0.249 1.00 . A A . 17 PDH HZ 1 1
17 3331 1 1 17 PDH N N 24.993 0.506 1.526 1.00 . A A . 17 PDH N 1 1
17 3332 1 1 17 PDH O O 25.216 -3.190 1.323 1.00 . A A . 17 PDH O 1 1
18 3333 1 1 1 ACE C C 1.755 4.536 0.985 1.00 . A A . 1 ACE C 1 1
18 3334 1 1 1 ACE CH3 C 2.678 5.148 2.069 1.00 . A A . 1 ACE CH3 1 1
18 3335 1 1 1 ACE H1 H 2.432 6.194 2.207 1.00 . A A . 1 ACE H1 1 1
18 3336 1 1 1 ACE H2 H 3.709 5.066 1.764 1.00 . A A . 1 ACE H2 1 1
18 3337 1 1 1 ACE H3 H 2.539 4.628 3.005 1.00 . A A . 1 ACE H3 1 1
18 3338 1 1 1 ACE O O 0.829 4.937 1.689 1.00 . A A . 1 ACE O 1 1
18 3339 1 1 2 PHE C C 2.179 1.437 2.628 1.00 . A A . 2 PHE C 1 1
18 3340 1 1 2 PHE CA C 1.293 2.408 1.847 1.00 . A A . 2 PHE CA 1 1
18 3341 1 1 2 PHE CB C 0.222 1.627 1.085 1.00 . A A . 2 PHE CB 1 1
18 3342 1 1 2 PHE CD1 C -1.506 2.478 -0.524 1.00 . A A . 2 PHE CD1 1 1
18 3343 1 1 2 PHE CD2 C -1.657 3.149 1.760 1.00 . A A . 2 PHE CD2 1 1
18 3344 1 1 2 PHE CE1 C -2.636 3.217 -0.819 1.00 . A A . 2 PHE CE1 1 1
18 3345 1 1 2 PHE CE2 C -2.787 3.890 1.469 1.00 . A A . 2 PHE CE2 1 1
18 3346 1 1 2 PHE CG C -1.004 2.435 0.767 1.00 . A A . 2 PHE CG 1 1
18 3347 1 1 2 PHE CZ C -3.278 3.924 0.178 1.00 . A A . 2 PHE CZ 1 1
18 3348 1 1 2 PHE H H 2.963 3.066 1.309 1.00 . A A . 2 PHE H 1 1
18 3349 1 1 2 PHE HA H 0.809 3.070 2.548 1.00 . A A . 2 PHE HA 1 1
18 3350 1 1 2 PHE HB2 H 0.638 1.276 0.152 1.00 . A A . 2 PHE HB2 1 1
18 3351 1 1 2 PHE HB3 H -0.084 0.778 1.679 1.00 . A A . 2 PHE HB3 1 1
18 3352 1 1 2 PHE HD1 H -1.005 1.926 -1.305 1.00 . A A . 2 PHE HD1 1 1
18 3353 1 1 2 PHE HD2 H -1.275 3.123 2.769 1.00 . A A . 2 PHE HD2 1 1
18 3354 1 1 2 PHE HE1 H -3.015 3.242 -1.830 1.00 . A A . 2 PHE HE1 1 1
18 3355 1 1 2 PHE HE2 H -3.287 4.442 2.252 1.00 . A A . 2 PHE HE2 1 1
18 3356 1 1 2 PHE HZ H -4.160 4.502 -0.051 1.00 . A A . 2 PHE HZ 1 1
18 3357 1 1 2 PHE N N 2.079 3.228 0.916 1.00 . A A . 2 PHE N 1 1
18 3358 1 1 2 PHE O O 3.314 1.159 2.205 1.00 . A A . 2 PHE O 1 1
18 3359 1 1 3 ABA C C 2.597 -1.340 3.916 1.00 . A A . 3 AIB C 1 1
18 3360 1 1 3 ABA CA C 2.352 0.002 4.632 1.00 . A A . 3 AIB CA 1 1
18 3361 1 1 3 ABA H H 0.730 1.223 4.019 1.00 . A A . 3 AIB H 1 1
18 3362 1 1 3 ABA N N 1.634 0.944 3.763 1.00 . A A . 3 AIB N 1 1
18 3363 1 1 3 ABA O O 2.135 -2.378 4.422 1.00 . A A . 3 AIB O 1 1
18 3364 1 1 4 ABA C C 4.092 -2.129 0.550 1.00 . A A . 4 AIB C 1 1
18 3365 1 1 4 ABA CA C 3.626 -2.494 1.973 1.00 . A A . 4 AIB CA 1 1
18 3366 1 1 4 ABA H H 3.656 -0.432 2.409 1.00 . A A . 4 AIB H 1 1
18 3367 1 1 4 ABA N N 3.318 -1.289 2.757 1.00 . A A . 4 AIB N 1 1
18 3368 1 1 4 ABA O O 4.801 -2.940 -0.069 1.00 . A A . 4 AIB O 1 1
18 3369 1 1 5 ABA C C 5.415 -1.028 -1.715 1.00 . A A . 5 AIB C 1 1
18 3370 1 1 5 ABA CA C 4.054 -0.447 -1.279 1.00 . A A . 5 AIB CA 1 1
18 3371 1 1 5 ABA H H 3.117 -0.313 0.601 1.00 . A A . 5 AIB H 1 1
18 3372 1 1 5 ABA N N 3.682 -0.917 0.062 1.00 . A A . 5 AIB N 1 1
18 3373 1 1 5 ABA O O 6.449 -0.409 -1.416 1.00 . A A . 5 AIB O 1 1
18 3374 1 1 6 . C C 7.754 -2.703 -1.863 1.00 . A A . 6 DIV C 1 1
18 3375 1 1 6 . CA C 6.613 -2.872 -2.895 1.00 . A A . 6 DIV CA 1 1
18 3376 1 1 6 . CB1 C 6.394 -4.299 -3.349 1.00 . A A . 6 DIV CB1 1 1
18 3377 1 1 6 . CB2 C 7.069 -2.394 -4.267 1.00 . A A . 6 DIV CB2 1 1
18 3378 1 1 6 . CG1 C 7.689 -5.076 -3.520 1.00 . A A . 6 DIV CG1 1 1
18 3379 1 1 6 . H H 4.529 -2.654 -2.625 1.00 . A A . 6 DIV H 1 1
18 3380 1 1 6 . HB11 H 5.870 -4.316 -4.295 1.00 . A A . 6 DIV HB11 1 1
18 3381 1 1 6 . HB12 H 5.799 -4.820 -2.614 1.00 . A A . 6 DIV HB12 1 1
18 3382 1 1 6 . HB21 H 7.156 -1.318 -4.266 1.00 . A A . 6 DIV HB21 1 1
18 3383 1 1 6 . HB22 H 6.351 -2.688 -5.019 1.00 . A A . 6 DIV HB22 1 1
18 3384 1 1 6 . HB23 H 8.029 -2.825 -4.505 1.00 . A A . 6 DIV HB23 1 1
18 3385 1 1 6 . HG11 H 8.229 -5.100 -2.583 1.00 . A A . 6 DIV HG11 1 1
18 3386 1 1 6 . HG12 H 8.301 -4.608 -4.277 1.00 . A A . 6 DIV HG12 1 1
18 3387 1 1 6 . HG13 H 7.460 -6.087 -3.823 1.00 . A A . 6 DIV HG13 1 1
18 3388 1 1 6 . N N 5.383 -2.207 -2.415 1.00 . A A . 6 DIV N 1 1
18 3389 1 1 6 . O O 8.801 -2.135 -2.180 1.00 . A A . 6 DIV O 1 1
18 3390 1 1 7 GLY C C 8.767 -1.665 0.863 1.00 . A A . 7 GLY C 1 1
18 3391 1 1 7 GLY CA C 8.567 -3.093 0.393 1.00 . A A . 7 GLY CA 1 1
18 3392 1 1 7 GLY H H 6.691 -3.659 -0.406 1.00 . A A . 7 GLY H 1 1
18 3393 1 1 7 GLY HA2 H 9.499 -3.463 -0.008 1.00 . A A . 7 GLY HA2 1 1
18 3394 1 1 7 GLY HA3 H 8.285 -3.702 1.239 1.00 . A A . 7 GLY HA3 1 1
18 3395 1 1 7 GLY N N 7.540 -3.207 -0.628 1.00 . A A . 7 GLY N 1 1
18 3396 1 1 7 GLY O O 9.827 -1.317 1.379 1.00 . A A . 7 GLY O 1 1
18 3397 1 1 8 LEU C C 9.100 1.235 0.664 1.00 . A A . 8 LEU C 1 1
18 3398 1 1 8 LEU CA C 7.792 0.563 1.090 1.00 . A A . 8 LEU CA 1 1
18 3399 1 1 8 LEU CB C 7.598 0.691 2.606 1.00 . A A . 8 LEU CB 1 1
18 3400 1 1 8 LEU CD1 C 9.994 0.683 3.345 1.00 . A A . 8 LEU CD1 1 1
18 3401 1 1 8 LEU CD2 C 8.199 -0.045 4.923 1.00 . A A . 8 LEU CD2 1 1
18 3402 1 1 8 LEU CG C 8.647 -0.012 3.470 1.00 . A A . 8 LEU CG 1 1
18 3403 1 1 8 LEU H H 6.925 -1.184 0.266 1.00 . A A . 8 LEU H 1 1
18 3404 1 1 8 LEU HA H 6.976 1.068 0.597 1.00 . A A . 8 LEU HA 1 1
18 3405 1 1 8 LEU HB2 H 7.601 1.741 2.859 1.00 . A A . 8 LEU HB2 1 1
18 3406 1 1 8 LEU HB3 H 6.629 0.284 2.857 1.00 . A A . 8 LEU HB3 1 1
18 3407 1 1 8 LEU HD11 H 9.852 1.753 3.390 1.00 . A A . 8 LEU HD11 1 1
18 3408 1 1 8 LEU HD12 H 10.636 0.370 4.156 1.00 . A A . 8 LEU HD12 1 1
18 3409 1 1 8 LEU HD13 H 10.449 0.419 2.403 1.00 . A A . 8 LEU HD13 1 1
18 3410 1 1 8 LEU HD21 H 7.136 0.138 4.975 1.00 . A A . 8 LEU HD21 1 1
18 3411 1 1 8 LEU HD22 H 8.419 -1.014 5.346 1.00 . A A . 8 LEU HD22 1 1
18 3412 1 1 8 LEU HD23 H 8.723 0.719 5.479 1.00 . A A . 8 LEU HD23 1 1
18 3413 1 1 8 LEU HG H 8.762 -1.031 3.133 1.00 . A A . 8 LEU HG 1 1
18 3414 1 1 8 LEU N N 7.743 -0.840 0.683 1.00 . A A . 8 LEU N 1 1
18 3415 1 1 8 LEU O O 9.540 2.196 1.319 1.00 . A A . 8 LEU O 1 1
18 3416 1 1 9 ABA C C 12.168 0.727 -0.247 1.00 . A A . 9 AIB C 1 1
18 3417 1 1 9 ABA CA C 10.936 1.272 -0.997 1.00 . A A . 9 AIB CA 1 1
18 3418 1 1 9 ABA H H 9.260 -0.026 -0.908 1.00 . A A . 9 AIB H 1 1
18 3419 1 1 9 ABA N N 9.687 0.725 -0.446 1.00 . A A . 9 AIB N 1 1
18 3420 1 1 9 ABA O O 13.257 1.300 -0.399 1.00 . A A . 9 AIB O 1 1
18 3421 1 1 10 ABA C C 14.313 -1.197 0.422 1.00 . A A . 10 AIB C 1 1
18 3422 1 1 10 ABA CA C 13.062 -0.994 1.304 1.00 . A A . 10 AIB CA 1 1
18 3423 1 1 10 ABA H H 11.080 -0.791 0.621 1.00 . A A . 10 AIB H 1 1
18 3424 1 1 10 ABA N N 11.971 -0.373 0.541 1.00 . A A . 10 AIB N 1 1
18 3425 1 1 10 ABA O O 15.427 -0.954 0.885 1.00 . A A . 10 AIB O 1 1
18 3426 1 1 11 HYP C C 15.947 -0.543 -2.217 1.00 . A A . 11 HYP C 1 1
18 3427 1 1 11 HYP CA C 15.338 -1.851 -1.714 1.00 . A A . 11 HYP CA 1 1
18 3428 1 1 11 HYP CB C 14.820 -2.676 -2.903 1.00 . A A . 11 HYP CB 1 1
18 3429 1 1 11 HYP CD C 12.953 -2.192 -1.553 1.00 . A A . 11 HYP CD 1 1
18 3430 1 1 11 HYP CG C 13.509 -3.288 -2.431 1.00 . A A . 11 HYP CG 1 1
18 3431 1 1 11 HYP HA H 16.098 -2.414 -1.193 1.00 . A A . 11 HYP HA 1 1
18 3432 1 1 11 HYP HB2 H 15.543 -3.439 -3.154 1.00 . A A . 11 HYP HB2 1 1
18 3433 1 1 11 HYP HB3 H 14.669 -2.027 -3.753 1.00 . A A . 11 HYP HB3 1 1
18 3434 1 1 11 HYP HD1 H 12.917 -4.903 -1.482 1.00 . A A . 11 HYP HD1 1 1
18 3435 1 1 11 HYP HD22 H 12.479 -1.431 -2.156 1.00 . A A . 11 HYP HD22 1 1
18 3436 1 1 11 HYP HD23 H 12.250 -2.601 -0.841 1.00 . A A . 11 HYP HD23 1 1
18 3437 1 1 11 HYP HG H 12.863 -3.402 -3.290 1.00 . A A . 11 HYP HG 1 1
18 3438 1 1 11 HYP N N 14.151 -1.647 -0.861 1.00 . A A . 11 HYP N 1 1
18 3439 1 1 11 HYP O O 16.914 -0.560 -2.978 1.00 . A A . 11 HYP O 1 1
18 3440 1 1 11 HYP OD1 O 13.739 -4.425 -1.615 1.00 . A A . 11 HYP OD1 1 1
18 3441 1 1 12 GLN C C 17.035 2.355 -1.326 1.00 . A A . 12 GLN C 1 1
18 3442 1 1 12 GLN CA C 15.900 1.886 -2.231 1.00 . A A . 12 GLN CA 1 1
18 3443 1 1 12 GLN CB C 14.786 2.936 -2.258 1.00 . A A . 12 GLN CB 1 1
18 3444 1 1 12 GLN CD C 14.596 2.578 -4.748 1.00 . A A . 12 GLN CD 1 1
18 3445 1 1 12 GLN CG C 13.850 2.793 -3.446 1.00 . A A . 12 GLN CG 1 1
18 3446 1 1 12 GLN H H 14.616 0.551 -1.195 1.00 . A A . 12 GLN H 1 1
18 3447 1 1 12 GLN HA H 16.289 1.765 -3.231 1.00 . A A . 12 GLN HA 1 1
18 3448 1 1 12 GLN HB2 H 14.205 2.856 -1.355 1.00 . A A . 12 GLN HB2 1 1
18 3449 1 1 12 GLN HB3 H 15.235 3.917 -2.301 1.00 . A A . 12 GLN HB3 1 1
18 3450 1 1 12 GLN HE21 H 14.794 4.543 -4.990 1.00 . A A . 12 GLN HE21 1 1
18 3451 1 1 12 GLN HE22 H 15.485 3.560 -6.231 1.00 . A A . 12 GLN HE22 1 1
18 3452 1 1 12 GLN HG2 H 13.199 1.946 -3.278 1.00 . A A . 12 GLN HG2 1 1
18 3453 1 1 12 GLN HG3 H 13.255 3.691 -3.531 1.00 . A A . 12 GLN HG3 1 1
18 3454 1 1 12 GLN N N 15.386 0.588 -1.800 1.00 . A A . 12 GLN N 1 1
18 3455 1 1 12 GLN NE2 N 14.999 3.671 -5.388 1.00 . A A . 12 GLN NE2 1 1
18 3456 1 1 12 GLN O O 18.172 2.519 -1.799 1.00 . A A . 12 GLN O 1 1
18 3457 1 1 12 GLN OE1 O 14.813 1.443 -5.172 1.00 . A A . 12 GLN OE1 1 1
18 3458 1 1 13 . C C 19.087 2.457 0.643 1.00 . A A . 13 DIV C 1 1
18 3459 1 1 13 . CA C 17.681 3.020 0.972 1.00 . A A . 13 DIV CA 1 1
18 3460 1 1 13 . CB1 C 17.648 4.510 1.203 1.00 . A A . 13 DIV CB1 1 1
18 3461 1 1 13 . CB2 C 17.305 2.683 2.410 1.00 . A A . 13 DIV CB2 1 1
18 3462 1 1 13 . CG1 C 16.242 5.067 1.371 1.00 . A A . 13 DIV CG1 1 1
18 3463 1 1 13 . H H 15.774 2.409 0.252 1.00 . A A . 13 DIV H 1 1
18 3464 1 1 13 . HB11 H 18.095 5.013 0.359 1.00 . A A . 13 DIV HB11 1 1
18 3465 1 1 13 . HB12 H 18.209 4.760 2.094 1.00 . A A . 13 DIV HB12 1 1
18 3466 1 1 13 . HB21 H 17.931 3.232 3.098 1.00 . A A . 13 DIV HB21 1 1
18 3467 1 1 13 . HB22 H 17.441 1.626 2.580 1.00 . A A . 13 DIV HB22 1 1
18 3468 1 1 13 . HB23 H 16.271 2.936 2.587 1.00 . A A . 13 DIV HB23 1 1
18 3469 1 1 13 . HG11 H 15.791 4.653 2.260 1.00 . A A . 13 DIV HG11 1 1
18 3470 1 1 13 . HG12 H 15.640 4.815 0.509 1.00 . A A . 13 DIV HG12 1 1
18 3471 1 1 13 . HG13 H 16.294 6.142 1.467 1.00 . A A . 13 DIV HG13 1 1
18 3472 1 1 13 . N N 16.699 2.563 -0.033 1.00 . A A . 13 DIV N 1 1
18 3473 1 1 13 . O O 20.047 3.217 0.709 1.00 . A A . 13 DIV O 1 1
18 3474 1 1 14 . C C 21.732 1.426 0.116 1.00 . A A . 14 0AZ C 1 1
18 3475 1 1 14 . CA C 20.497 0.522 -0.060 1.00 . A A . 14 0AZ CA 1 1
18 3476 1 1 14 . CB C 20.542 -0.622 0.956 1.00 . A A . 14 0AZ CB 1 1
18 3477 1 1 14 . CD C 18.260 0.006 0.541 1.00 . A A . 14 0AZ CD 1 1
18 3478 1 1 14 . CG C 19.120 -1.184 0.953 1.00 . A A . 14 0AZ CG 1 1
18 3479 1 1 14 . HA H 20.485 0.098 -1.068 1.00 . A A . 14 0AZ HA 1 1
18 3480 1 1 14 . HB2 H 20.817 -0.241 1.938 1.00 . A A . 14 0AZ HB2 1 1
18 3481 1 1 14 . HB3 H 21.261 -1.362 0.636 1.00 . A A . 14 0AZ HB3 1 1
18 3482 1 1 14 . HD1 H 18.133 -2.324 2.214 1.00 . A A . 14 0AZ HD1 1 1
18 3483 1 1 14 . HD22 H 17.707 -0.234 -0.355 1.00 . A A . 14 0AZ HD22 1 1
18 3484 1 1 14 . HD23 H 17.578 0.257 1.338 1.00 . A A . 14 0AZ HD23 1 1
18 3485 1 1 14 . HG H 19.063 -1.930 0.173 1.00 . A A . 14 0AZ HG 1 1
18 3486 1 1 14 . N N 19.205 1.131 0.282 1.00 . A A . 14 0AZ N 1 1
18 3487 1 1 14 . O O 22.587 1.097 0.943 1.00 . A A . 14 0AZ O 1 1
18 3488 1 1 14 . OD1 O 18.727 -1.570 2.259 1.00 . A A . 14 0AZ OD1 1 1
18 3489 1 1 15 ABA C C 23.865 3.206 0.580 1.00 . A A . 15 AIB C 1 1
18 3490 1 1 15 ABA CA C 22.930 3.489 -0.617 1.00 . A A . 15 AIB CA 1 1
18 3491 1 1 15 ABA H H 21.086 2.747 -1.312 1.00 . A A . 15 AIB H 1 1
18 3492 1 1 15 ABA N N 21.802 2.543 -0.673 1.00 . A A . 15 AIB N 1 1
18 3493 1 1 15 ABA O O 25.021 2.839 0.366 1.00 . A A . 15 AIB O 1 1
18 3494 1 1 16 PRO C C 25.204 1.950 2.843 1.00 . A A . 16 PRO C 1 1
18 3495 1 1 16 PRO CA C 24.314 3.183 3.000 1.00 . A A . 16 PRO CA 1 1
18 3496 1 1 16 PRO CB C 23.376 3.013 4.197 1.00 . A A . 16 PRO CB 1 1
18 3497 1 1 16 PRO CD C 22.004 3.580 2.352 1.00 . A A . 16 PRO CD 1 1
18 3498 1 1 16 PRO CG C 22.170 3.789 3.827 1.00 . A A . 16 PRO CG 1 1
18 3499 1 1 16 PRO HA H 24.944 4.045 3.164 1.00 . A A . 16 PRO HA 1 1
18 3500 1 1 16 PRO HB2 H 23.147 1.965 4.336 1.00 . A A . 16 PRO HB2 1 1
18 3501 1 1 16 PRO HB3 H 23.844 3.410 5.088 1.00 . A A . 16 PRO HB3 1 1
18 3502 1 1 16 PRO HD2 H 21.418 2.693 2.167 1.00 . A A . 16 PRO HD2 1 1
18 3503 1 1 16 PRO HD3 H 21.537 4.444 1.901 1.00 . A A . 16 PRO HD3 1 1
18 3504 1 1 16 PRO HG2 H 21.310 3.415 4.362 1.00 . A A . 16 PRO HG2 1 1
18 3505 1 1 16 PRO HG3 H 22.325 4.837 4.043 1.00 . A A . 16 PRO HG3 1 1
18 3506 1 1 16 PRO N N 23.404 3.409 1.855 1.00 . A A . 16 PRO N 1 1
18 3507 1 1 16 PRO O O 26.365 1.961 3.254 1.00 . A A . 16 PRO O 1 1
18 3508 1 1 17 PDH C C 24.466 -1.561 2.480 1.00 . A A . 17 PDH C 1 1
18 3509 1 1 17 PDH CA C 25.437 -0.394 2.051 1.00 . A A . 17 PDH CA 1 1
18 3510 1 1 17 PDH CB C 26.373 -0.522 0.892 1.00 . A A . 17 PDH CB 1 1
18 3511 1 1 17 PDH CD1 C 28.143 1.113 1.608 1.00 . A A . 17 PDH CD1 1 1
18 3512 1 1 17 PDH CD2 C 27.083 1.432 -0.515 1.00 . A A . 17 PDH CD2 1 1
18 3513 1 1 17 PDH CE1 C 28.921 2.239 1.393 1.00 . A A . 17 PDH CE1 1 1
18 3514 1 1 17 PDH CE2 C 27.859 2.558 -0.736 1.00 . A A . 17 PDH CE2 1 1
18 3515 1 1 17 PDH CG C 27.216 0.698 0.659 1.00 . A A . 17 PDH CG 1 1
18 3516 1 1 17 PDH CZ C 28.779 2.962 0.218 1.00 . A A . 17 PDH CZ 1 1
18 3517 1 1 17 PDH H1 H 24.013 -1.991 1.599 1.00 . A A . 17 PDH H1 1 1
18 3518 1 1 17 PDH H2 H 23.694 -1.166 3.124 1.00 . A A . 17 PDH H2 1 1
18 3519 1 1 17 PDH HA H 26.227 -0.393 2.609 1.00 . A A . 17 PDH HA 1 1
18 3520 1 1 17 PDH HD1 H 28.253 0.549 2.522 1.00 . A A . 17 PDH HD1 1 1
18 3521 1 1 17 PDH HD2 H 26.366 1.117 -1.258 1.00 . A A . 17 PDH HD2 1 1
18 3522 1 1 17 PDH HE1 H 29.638 2.553 2.138 1.00 . A A . 17 PDH HE1 1 1
18 3523 1 1 17 PDH HE2 H 27.747 3.119 -1.651 1.00 . A A . 17 PDH HE2 1 1
18 3524 1 1 17 PDH HN H 23.729 0.937 1.955 1.00 . A A . 17 PDH HN 1 1
18 3525 1 1 17 PDH HO H 24.673 -3.398 3.126 1.00 . A A . 17 PDH HO 1 1
18 3526 1 1 17 PDH HZ H 29.384 3.841 0.048 1.00 . A A . 17 PDH HZ 1 1
18 3527 1 1 17 PDH N N 24.660 0.891 2.258 1.00 . A A . 17 PDH N 1 1
18 3528 1 1 17 PDH O O 25.166 -2.576 3.177 1.00 . A A . 17 PDH O 1 1
19 3529 1 1 1 ACE C C 3.285 4.620 1.539 1.00 . A A . 1 ACE C 1 1
19 3530 1 1 1 ACE CH3 C 4.393 4.587 2.619 1.00 . A A . 1 ACE CH3 1 1
19 3531 1 1 1 ACE H1 H 4.043 4.052 3.490 1.00 . A A . 1 ACE H1 1 1
19 3532 1 1 1 ACE H2 H 4.650 5.599 2.908 1.00 . A A . 1 ACE H2 1 1
19 3533 1 1 1 ACE H3 H 5.272 4.099 2.229 1.00 . A A . 1 ACE H3 1 1
19 3534 1 1 1 ACE O O 2.644 5.272 2.363 1.00 . A A . 1 ACE O 1 1
19 3535 1 1 2 PHE C C 2.265 1.428 2.679 1.00 . A A . 2 PHE C 1 1
19 3536 1 1 2 PHE CA C 1.920 2.813 2.132 1.00 . A A . 2 PHE CA 1 1
19 3537 1 1 2 PHE CB C 0.596 2.745 1.362 1.00 . A A . 2 PHE CB 1 1
19 3538 1 1 2 PHE CD1 C -0.670 4.035 3.106 1.00 . A A . 2 PHE CD1 1 1
19 3539 1 1 2 PHE CD2 C -1.695 2.101 2.161 1.00 . A A . 2 PHE CD2 1 1
19 3540 1 1 2 PHE CE1 C -1.781 4.238 3.903 1.00 . A A . 2 PHE CE1 1 1
19 3541 1 1 2 PHE CE2 C -2.808 2.299 2.955 1.00 . A A . 2 PHE CE2 1 1
19 3542 1 1 2 PHE CG C -0.614 2.967 2.227 1.00 . A A . 2 PHE CG 1 1
19 3543 1 1 2 PHE CZ C -2.851 3.368 3.827 1.00 . A A . 2 PHE CZ 1 1
19 3544 1 1 2 PHE H H 3.705 2.739 1.564 1.00 . A A . 2 PHE H 1 1
19 3545 1 1 2 PHE HA H 1.808 3.490 2.968 1.00 . A A . 2 PHE HA 1 1
19 3546 1 1 2 PHE HB2 H 0.593 3.497 0.582 1.00 . A A . 2 PHE HB2 1 1
19 3547 1 1 2 PHE HB3 H 0.505 1.769 0.908 1.00 . A A . 2 PHE HB3 1 1
19 3548 1 1 2 PHE HD1 H 0.166 4.718 3.166 1.00 . A A . 2 PHE HD1 1 1
19 3549 1 1 2 PHE HD2 H -1.663 1.265 1.478 1.00 . A A . 2 PHE HD2 1 1
19 3550 1 1 2 PHE HE1 H -1.811 5.075 4.586 1.00 . A A . 2 PHE HE1 1 1
19 3551 1 1 2 PHE HE2 H -3.644 1.616 2.894 1.00 . A A . 2 PHE HE2 1 1
19 3552 1 1 2 PHE HZ H -3.720 3.525 4.450 1.00 . A A . 2 PHE HZ 1 1
19 3553 1 1 2 PHE N N 2.984 3.334 1.266 1.00 . A A . 2 PHE N 1 1
19 3554 1 1 2 PHE O O 3.380 0.930 2.449 1.00 . A A . 2 PHE O 1 1
19 3555 1 1 3 ABA C C 1.595 -1.582 2.935 1.00 . A A . 3 AIB C 1 1
19 3556 1 1 3 ABA CA C 1.451 -0.488 4.011 1.00 . A A . 3 AIB CA 1 1
19 3557 1 1 3 ABA H H 0.441 1.315 3.536 1.00 . A A . 3 AIB H 1 1
19 3558 1 1 3 ABA N N 1.288 0.841 3.404 1.00 . A A . 3 AIB N 1 1
19 3559 1 1 3 ABA O O 0.754 -2.495 2.902 1.00 . A A . 3 AIB O 1 1
19 3560 1 1 4 ABA C C 3.546 -1.769 -0.219 1.00 . A A . 4 AIB C 1 1
19 3561 1 1 4 ABA CA C 2.920 -2.445 1.019 1.00 . A A . 4 AIB CA 1 1
19 3562 1 1 4 ABA H H 3.295 -0.717 2.169 1.00 . A A . 4 AIB H 1 1
19 3563 1 1 4 ABA N N 2.661 -1.467 2.085 1.00 . A A . 4 AIB N 1 1
19 3564 1 1 4 ABA O O 4.117 -2.483 -1.058 1.00 . A A . 4 AIB O 1 1
19 3565 1 1 5 ABA C C 5.293 -0.249 -1.931 1.00 . A A . 5 AIB C 1 1
19 3566 1 1 5 ABA CA C 3.969 0.363 -1.430 1.00 . A A . 5 AIB CA 1 1
19 3567 1 1 5 ABA H H 2.954 0.109 0.396 1.00 . A A . 5 AIB H 1 1
19 3568 1 1 5 ABA N N 3.422 -0.405 -0.303 1.00 . A A . 5 AIB N 1 1
19 3569 1 1 5 ABA O O 6.362 0.198 -1.484 1.00 . A A . 5 AIB O 1 1
19 3570 1 1 6 . C C 7.449 -2.146 -2.316 1.00 . A A . 6 DIV C 1 1
19 3571 1 1 6 . CA C 6.381 -1.932 -3.414 1.00 . A A . 6 DIV CA 1 1
19 3572 1 1 6 . CB1 C 6.059 -3.170 -4.212 1.00 . A A . 6 DIV CB1 1 1
19 3573 1 1 6 . CB2 C 6.997 -1.197 -4.598 1.00 . A A . 6 DIV CB2 1 1
19 3574 1 1 6 . CG1 C 4.911 -2.976 -5.191 1.00 . A A . 6 DIV CG1 1 1
19 3575 1 1 6 . H H 4.315 -1.573 -3.172 1.00 . A A . 6 DIV H 1 1
19 3576 1 1 6 . HB11 H 5.777 -3.965 -3.538 1.00 . A A . 6 DIV HB11 1 1
19 3577 1 1 6 . HB12 H 6.924 -3.483 -4.778 1.00 . A A . 6 DIV HB12 1 1
19 3578 1 1 6 . HB21 H 6.223 -0.896 -5.286 1.00 . A A . 6 DIV HB21 1 1
19 3579 1 1 6 . HB22 H 7.702 -1.837 -5.111 1.00 . A A . 6 DIV HB22 1 1
19 3580 1 1 6 . HB23 H 7.515 -0.317 -4.246 1.00 . A A . 6 DIV HB23 1 1
19 3581 1 1 6 . HG11 H 5.176 -2.229 -5.921 1.00 . A A . 6 DIV HG11 1 1
19 3582 1 1 6 . HG12 H 4.024 -2.660 -4.659 1.00 . A A . 6 DIV HG12 1 1
19 3583 1 1 6 . HG13 H 4.710 -3.910 -5.693 1.00 . A A . 6 DIV HG13 1 1
19 3584 1 1 6 . N N 5.193 -1.260 -2.852 1.00 . A A . 6 DIV N 1 1
19 3585 1 1 6 . O O 8.618 -1.813 -2.511 1.00 . A A . 6 DIV O 1 1
19 3586 1 1 7 GLY C C 8.401 -1.637 0.587 1.00 . A A . 7 GLY C 1 1
19 3587 1 1 7 GLY CA C 7.978 -2.930 -0.088 1.00 . A A . 7 GLY CA 1 1
19 3588 1 1 7 GLY H H 6.085 -2.960 -1.031 1.00 . A A . 7 GLY H 1 1
19 3589 1 1 7 GLY HA2 H 8.854 -3.411 -0.496 1.00 . A A . 7 GLY HA2 1 1
19 3590 1 1 7 GLY HA3 H 7.532 -3.588 0.648 1.00 . A A . 7 GLY HA3 1 1
19 3591 1 1 7 GLY N N 7.030 -2.704 -1.160 1.00 . A A . 7 GLY N 1 1
19 3592 1 1 7 GLY O O 9.524 -1.529 1.073 1.00 . A A . 7 GLY O 1 1
19 3593 1 1 8 LEU C C 9.252 1.041 0.984 1.00 . A A . 8 LEU C 1 1
19 3594 1 1 8 LEU CA C 7.799 0.639 1.231 1.00 . A A . 8 LEU CA 1 1
19 3595 1 1 8 LEU CB C 7.504 0.617 2.737 1.00 . A A . 8 LEU CB 1 1
19 3596 1 1 8 LEU CD1 C 9.342 -0.521 4.009 1.00 . A A . 8 LEU CD1 1 1
19 3597 1 1 8 LEU CD2 C 6.954 -0.940 4.623 1.00 . A A . 8 LEU CD2 1 1
19 3598 1 1 8 LEU CG C 7.921 -0.654 3.483 1.00 . A A . 8 LEU CG 1 1
19 3599 1 1 8 LEU H H 6.623 -0.790 0.207 1.00 . A A . 8 LEU H 1 1
19 3600 1 1 8 LEU HA H 7.158 1.372 0.764 1.00 . A A . 8 LEU HA 1 1
19 3601 1 1 8 LEU HB2 H 8.015 1.453 3.190 1.00 . A A . 8 LEU HB2 1 1
19 3602 1 1 8 LEU HB3 H 6.441 0.752 2.873 1.00 . A A . 8 LEU HB3 1 1
19 3603 1 1 8 LEU HD11 H 9.677 0.498 3.888 1.00 . A A . 8 LEU HD11 1 1
19 3604 1 1 8 LEU HD12 H 9.366 -0.786 5.055 1.00 . A A . 8 LEU HD12 1 1
19 3605 1 1 8 LEU HD13 H 9.993 -1.181 3.455 1.00 . A A . 8 LEU HD13 1 1
19 3606 1 1 8 LEU HD21 H 6.578 -0.009 5.020 1.00 . A A . 8 LEU HD21 1 1
19 3607 1 1 8 LEU HD22 H 6.129 -1.533 4.255 1.00 . A A . 8 LEU HD22 1 1
19 3608 1 1 8 LEU HD23 H 7.467 -1.483 5.403 1.00 . A A . 8 LEU HD23 1 1
19 3609 1 1 8 LEU HG H 7.893 -1.492 2.807 1.00 . A A . 8 LEU HG 1 1
19 3610 1 1 8 LEU N N 7.503 -0.652 0.616 1.00 . A A . 8 LEU N 1 1
19 3611 1 1 8 LEU O O 9.883 1.656 1.861 1.00 . A A . 8 LEU O 1 1
19 3612 1 1 9 ABA C C 12.142 0.556 0.449 1.00 . A A . 9 AIB C 1 1
19 3613 1 1 9 ABA CA C 11.129 0.993 -0.628 1.00 . A A . 9 AIB CA 1 1
19 3614 1 1 9 ABA H H 9.175 0.200 -0.853 1.00 . A A . 9 AIB H 1 1
19 3615 1 1 9 ABA N N 9.750 0.682 -0.222 1.00 . A A . 9 AIB N 1 1
19 3616 1 1 9 ABA O O 13.201 1.193 0.562 1.00 . A A . 9 AIB O 1 1
19 3617 1 1 10 ABA C C 14.017 -1.520 1.714 1.00 . A A . 10 AIB C 1 1
19 3618 1 1 10 ABA CA C 12.663 -1.040 2.282 1.00 . A A . 10 AIB CA 1 1
19 3619 1 1 10 ABA H H 10.930 -0.983 1.088 1.00 . A A . 10 AIB H 1 1
19 3620 1 1 10 ABA N N 11.792 -0.520 1.220 1.00 . A A . 10 AIB N 1 1
19 3621 1 1 10 ABA O O 15.061 -1.175 2.266 1.00 . A A . 10 AIB O 1 1
19 3622 1 1 11 HYP C C 16.045 -1.739 -0.756 1.00 . A A . 11 HYP C 1 1
19 3623 1 1 11 HYP CA C 15.314 -2.799 0.068 1.00 . A A . 11 HYP CA 1 1
19 3624 1 1 11 HYP CB C 14.951 -3.992 -0.835 1.00 . A A . 11 HYP CB 1 1
19 3625 1 1 11 HYP CD C 12.925 -2.990 -0.136 1.00 . A A . 11 HYP CD 1 1
19 3626 1 1 11 HYP CG C 13.500 -4.334 -0.513 1.00 . A A . 11 HYP CG 1 1
19 3627 1 1 11 HYP HA H 15.966 -3.139 0.859 1.00 . A A . 11 HYP HA 1 1
19 3628 1 1 11 HYP HB2 H 15.607 -4.821 -0.616 1.00 . A A . 11 HYP HB2 1 1
19 3629 1 1 11 HYP HB3 H 15.065 -3.705 -1.870 1.00 . A A . 11 HYP HB3 1 1
19 3630 1 1 11 HYP HD1 H 13.436 -4.654 1.424 1.00 . A A . 11 HYP HD1 1 1
19 3631 1 1 11 HYP HD22 H 12.669 -2.429 -1.023 1.00 . A A . 11 HYP HD22 1 1
19 3632 1 1 11 HYP HD23 H 12.058 -3.120 0.493 1.00 . A A . 11 HYP HD23 1 1
19 3633 1 1 11 HYP HG H 13.028 -4.666 -1.426 1.00 . A A . 11 HYP HG 1 1
19 3634 1 1 11 HYP N N 14.026 -2.329 0.609 1.00 . A A . 11 HYP N 1 1
19 3635 1 1 11 HYP O O 17.066 -2.030 -1.380 1.00 . A A . 11 HYP O 1 1
19 3636 1 1 11 HYP OD1 O 13.414 -5.180 0.621 1.00 . A A . 11 HYP OD1 1 1
19 3637 1 1 12 GLN C C 17.354 1.136 -0.781 1.00 . A A . 12 GLN C 1 1
19 3638 1 1 12 GLN CA C 16.152 0.563 -1.524 1.00 . A A . 12 GLN CA 1 1
19 3639 1 1 12 GLN CB C 15.143 1.679 -1.812 1.00 . A A . 12 GLN CB 1 1
19 3640 1 1 12 GLN CD C 15.172 1.244 -4.304 1.00 . A A . 12 GLN CD 1 1
19 3641 1 1 12 GLN CG C 14.315 1.461 -3.071 1.00 . A A . 12 GLN CG 1 1
19 3642 1 1 12 GLN H H 14.711 -0.335 -0.252 1.00 . A A . 12 GLN H 1 1
19 3643 1 1 12 GLN HA H 16.496 0.147 -2.458 1.00 . A A . 12 GLN HA 1 1
19 3644 1 1 12 GLN HB2 H 14.468 1.762 -0.977 1.00 . A A . 12 GLN HB2 1 1
19 3645 1 1 12 GLN HB3 H 15.679 2.611 -1.919 1.00 . A A . 12 GLN HB3 1 1
19 3646 1 1 12 GLN HE21 H 14.590 2.995 -5.044 1.00 . A A . 12 GLN HE21 1 1
19 3647 1 1 12 GLN HE22 H 15.694 2.097 -6.023 1.00 . A A . 12 GLN HE22 1 1
19 3648 1 1 12 GLN HG2 H 13.683 0.595 -2.931 1.00 . A A . 12 GLN HG2 1 1
19 3649 1 1 12 GLN HG3 H 13.696 2.331 -3.232 1.00 . A A . 12 GLN HG3 1 1
19 3650 1 1 12 GLN N N 15.526 -0.516 -0.763 1.00 . A A . 12 GLN N 1 1
19 3651 1 1 12 GLN NE2 N 15.150 2.209 -5.215 1.00 . A A . 12 GLN NE2 1 1
19 3652 1 1 12 GLN O O 18.306 1.611 -1.423 1.00 . A A . 12 GLN O 1 1
19 3653 1 1 12 GLN OE1 O 15.844 0.222 -4.439 1.00 . A A . 12 GLN OE1 1 1
19 3654 1 1 13 . C C 19.741 1.368 0.782 1.00 . A A . 13 DIV C 1 1
19 3655 1 1 13 . CA C 18.356 1.605 1.436 1.00 . A A . 13 DIV CA 1 1
19 3656 1 1 13 . CB1 C 18.128 3.042 1.855 1.00 . A A . 13 DIV CB1 1 1
19 3657 1 1 13 . CB2 C 18.319 1.070 2.864 1.00 . A A . 13 DIV CB2 1 1
19 3658 1 1 13 . CG1 C 16.661 3.367 2.094 1.00 . A A . 13 DIV CG1 1 1
19 3659 1 1 13 . H H 16.485 0.695 0.988 1.00 . A A . 13 DIV H 1 1
19 3660 1 1 13 . HB11 H 18.479 3.701 1.074 1.00 . A A . 13 DIV HB11 1 1
19 3661 1 1 13 . HB12 H 18.669 3.265 2.765 1.00 . A A . 13 DIV HB12 1 1
19 3662 1 1 13 . HB21 H 17.480 1.489 3.399 1.00 . A A . 13 DIV HB21 1 1
19 3663 1 1 13 . HB22 H 19.232 1.334 3.375 1.00 . A A . 13 DIV HB22 1 1
19 3664 1 1 13 . HB23 H 18.221 -0.004 2.848 1.00 . A A . 13 DIV HB23 1 1
19 3665 1 1 13 . HG11 H 16.097 3.198 1.186 1.00 . A A . 13 DIV HG11 1 1
19 3666 1 1 13 . HG12 H 16.568 4.404 2.382 1.00 . A A . 13 DIV HG12 1 1
19 3667 1 1 13 . HG13 H 16.268 2.742 2.883 1.00 . A A . 13 DIV HG13 1 1
19 3668 1 1 13 . N N 17.280 1.085 0.568 1.00 . A A . 13 DIV N 1 1
19 3669 1 1 13 . O O 20.541 2.299 0.763 1.00 . A A . 13 DIV O 1 1
19 3670 1 1 14 . C C 22.214 1.081 -0.633 1.00 . A A . 14 0AZ C 1 1
19 3671 1 1 14 . CA C 21.306 -0.140 -0.421 1.00 . A A . 14 0AZ CA 1 1
19 3672 1 1 14 . CB C 21.923 -1.115 0.581 1.00 . A A . 14 0AZ CB 1 1
19 3673 1 1 14 . CD C 19.519 -1.193 0.688 1.00 . A A . 14 0AZ CD 1 1
19 3674 1 1 14 . CG C 20.762 -2.038 0.957 1.00 . A A . 14 0AZ CG 1 1
19 3675 1 1 14 . HA H 21.159 -0.652 -1.375 1.00 . A A . 14 0AZ HA 1 1
19 3676 1 1 14 . HB2 H 22.299 -0.576 1.450 1.00 . A A . 14 0AZ HB2 1 1
19 3677 1 1 14 . HB3 H 22.727 -1.660 0.111 1.00 . A A . 14 0AZ HB3 1 1
19 3678 1 1 14 . HD1 H 19.927 -2.687 2.602 1.00 . A A . 14 0AZ HD1 1 1
19 3679 1 1 14 . HD22 H 18.921 -1.653 -0.086 1.00 . A A . 14 0AZ HD22 1 1
19 3680 1 1 14 . HD23 H 18.942 -1.098 1.592 1.00 . A A . 14 0AZ HD23 1 1
19 3681 1 1 14 . HG H 20.763 -2.868 0.264 1.00 . A A . 14 0AZ HG 1 1
19 3682 1 1 14 . N N 20.023 0.134 0.232 1.00 . A A . 14 0AZ N 1 1
19 3683 1 1 14 . O O 23.372 1.062 -0.181 1.00 . A A . 14 0AZ O 1 1
19 3684 1 1 14 . OD1 O 20.783 -2.341 2.342 1.00 . A A . 14 0AZ OD1 1 1
19 3685 1 1 15 ABA C C 23.321 3.754 -0.431 1.00 . A A . 15 AIB C 1 1
19 3686 1 1 15 ABA CA C 22.432 3.345 -1.624 1.00 . A A . 15 AIB CA 1 1
19 3687 1 1 15 ABA H H 20.754 2.061 -1.662 1.00 . A A . 15 AIB H 1 1
19 3688 1 1 15 ABA N N 21.676 2.120 -1.331 1.00 . A A . 15 AIB N 1 1
19 3689 1 1 15 ABA O O 24.519 3.475 -0.448 1.00 . A A . 15 AIB O 1 1
19 3690 1 1 16 PRO C C 24.654 3.784 2.098 1.00 . A A . 16 PRO C 1 1
19 3691 1 1 16 PRO CA C 23.593 4.825 1.754 1.00 . A A . 16 PRO CA 1 1
19 3692 1 1 16 PRO CB C 22.604 4.972 2.920 1.00 . A A . 16 PRO CB 1 1
19 3693 1 1 16 PRO CD C 21.396 4.972 0.829 1.00 . A A . 16 PRO CD 1 1
19 3694 1 1 16 PRO CG C 21.232 4.934 2.323 1.00 . A A . 16 PRO CG 1 1
19 3695 1 1 16 PRO HA H 24.075 5.775 1.569 1.00 . A A . 16 PRO HA 1 1
19 3696 1 1 16 PRO HB2 H 22.748 4.158 3.614 1.00 . A A . 16 PRO HB2 1 1
19 3697 1 1 16 PRO HB3 H 22.784 5.910 3.424 1.00 . A A . 16 PRO HB3 1 1
19 3698 1 1 16 PRO HD2 H 20.654 4.349 0.354 1.00 . A A . 16 PRO HD2 1 1
19 3699 1 1 16 PRO HD3 H 21.328 5.986 0.467 1.00 . A A . 16 PRO HD3 1 1
19 3700 1 1 16 PRO HG2 H 20.732 4.024 2.618 1.00 . A A . 16 PRO HG2 1 1
19 3701 1 1 16 PRO HG3 H 20.668 5.793 2.657 1.00 . A A . 16 PRO HG3 1 1
19 3702 1 1 16 PRO N N 22.757 4.426 0.619 1.00 . A A . 16 PRO N 1 1
19 3703 1 1 16 PRO O O 25.721 4.118 2.614 1.00 . A A . 16 PRO O 1 1
19 3704 1 1 17 PDH C C 24.555 0.445 3.132 1.00 . A A . 17 PDH C 1 1
19 3705 1 1 17 PDH CA C 25.313 1.389 2.116 1.00 . A A . 17 PDH CA 1 1
19 3706 1 1 17 PDH CB C 26.202 0.851 1.029 1.00 . A A . 17 PDH CB 1 1
19 3707 1 1 17 PDH CD1 C 27.339 3.044 0.516 1.00 . A A . 17 PDH CD1 1 1
19 3708 1 1 17 PDH CD2 C 28.693 1.082 0.731 1.00 . A A . 17 PDH CD2 1 1
19 3709 1 1 17 PDH CE1 C 28.472 3.801 0.262 1.00 . A A . 17 PDH CE1 1 1
19 3710 1 1 17 PDH CE2 C 29.829 1.834 0.478 1.00 . A A . 17 PDH CE2 1 1
19 3711 1 1 17 PDH CG C 27.437 1.677 0.753 1.00 . A A . 17 PDH CG 1 1
19 3712 1 1 17 PDH CZ C 29.718 3.195 0.242 1.00 . A A . 17 PDH CZ 1 1
19 3713 1 1 17 PDH H1 H 23.828 -0.148 2.597 1.00 . A A . 17 PDH H1 1 1
19 3714 1 1 17 PDH H2 H 24.053 1.048 3.874 1.00 . A A . 17 PDH H2 1 1
19 3715 1 1 17 PDH HA H 26.110 1.738 2.530 1.00 . A A . 17 PDH HA 1 1
19 3716 1 1 17 PDH HD1 H 26.369 3.517 0.531 1.00 . A A . 17 PDH HD1 1 1
19 3717 1 1 17 PDH HD2 H 28.780 0.021 0.915 1.00 . A A . 17 PDH HD2 1 1
19 3718 1 1 17 PDH HE1 H 28.385 4.861 0.079 1.00 . A A . 17 PDH HE1 1 1
19 3719 1 1 17 PDH HE2 H 30.800 1.360 0.464 1.00 . A A . 17 PDH HE2 1 1
19 3720 1 1 17 PDH HN H 23.483 2.318 1.411 1.00 . A A . 17 PDH HN 1 1
19 3721 1 1 17 PDH HO H 25.397 -0.295 4.739 1.00 . A A . 17 PDH HO 1 1
19 3722 1 1 17 PDH HZ H 30.602 3.783 0.045 1.00 . A A . 17 PDH HZ 1 1
19 3723 1 1 17 PDH N N 24.351 2.523 1.816 1.00 . A A . 17 PDH N 1 1
19 3724 1 1 17 PDH O O 25.457 -0.427 3.791 1.00 . A A . 17 PDH O 1 1
20 3725 1 1 1 ACE C C 0.028 4.175 1.693 1.00 . A A . 1 ACE C 1 1
20 3726 1 1 1 ACE CH3 C 0.945 5.135 2.490 1.00 . A A . 1 ACE CH3 1 1
20 3727 1 1 1 ACE H1 H 1.781 5.438 1.878 1.00 . A A . 1 ACE H1 1 1
20 3728 1 1 1 ACE H2 H 1.312 4.641 3.377 1.00 . A A . 1 ACE H2 1 1
20 3729 1 1 1 ACE H3 H 0.386 6.015 2.783 1.00 . A A . 1 ACE H3 1 1
20 3730 1 1 1 ACE O O -0.724 4.249 2.665 1.00 . A A . 1 ACE O 1 1
20 3731 1 1 2 PHE C C 1.957 1.371 2.791 1.00 . A A . 2 PHE C 1 1
20 3732 1 1 2 PHE CA C 0.630 2.082 2.524 1.00 . A A . 2 PHE CA 1 1
20 3733 1 1 2 PHE CB C -0.443 1.052 2.163 1.00 . A A . 2 PHE CB 1 1
20 3734 1 1 2 PHE CD1 C -1.985 1.412 4.110 1.00 . A A . 2 PHE CD1 1 1
20 3735 1 1 2 PHE CD2 C -2.880 1.596 1.906 1.00 . A A . 2 PHE CD2 1 1
20 3736 1 1 2 PHE CE1 C -3.230 1.694 4.642 1.00 . A A . 2 PHE CE1 1 1
20 3737 1 1 2 PHE CE2 C -4.126 1.879 2.432 1.00 . A A . 2 PHE CE2 1 1
20 3738 1 1 2 PHE CG C -1.796 1.361 2.738 1.00 . A A . 2 PHE CG 1 1
20 3739 1 1 2 PHE CZ C -4.302 1.927 3.802 1.00 . A A . 2 PHE CZ 1 1
20 3740 1 1 2 PHE H H 1.719 3.254 1.559 1.00 . A A . 2 PHE H 1 1
20 3741 1 1 2 PHE HA H 0.329 2.601 3.422 1.00 . A A . 2 PHE HA 1 1
20 3742 1 1 2 PHE HB2 H -0.541 1.009 1.089 1.00 . A A . 2 PHE HB2 1 1
20 3743 1 1 2 PHE HB3 H -0.137 0.083 2.530 1.00 . A A . 2 PHE HB3 1 1
20 3744 1 1 2 PHE HD1 H -1.148 1.231 4.767 1.00 . A A . 2 PHE HD1 1 1
20 3745 1 1 2 PHE HD2 H -2.744 1.560 0.836 1.00 . A A . 2 PHE HD2 1 1
20 3746 1 1 2 PHE HE1 H -3.364 1.731 5.713 1.00 . A A . 2 PHE HE1 1 1
20 3747 1 1 2 PHE HE2 H -4.962 2.061 1.774 1.00 . A A . 2 PHE HE2 1 1
20 3748 1 1 2 PHE HZ H -5.276 2.147 4.215 1.00 . A A . 2 PHE HZ 1 1
20 3749 1 1 2 PHE N N 0.761 3.071 1.453 1.00 . A A . 2 PHE N 1 1
20 3750 1 1 2 PHE O O 2.813 1.303 1.890 1.00 . A A . 2 PHE O 1 1
20 3751 1 1 3 ABA C C 3.512 -1.141 3.622 1.00 . A A . 3 AIB C 1 1
20 3752 1 1 3 ABA CA C 3.302 0.136 4.459 1.00 . A A . 3 AIB CA 1 1
20 3753 1 1 3 ABA H H 1.360 0.958 4.678 1.00 . A A . 3 AIB H 1 1
20 3754 1 1 3 ABA N N 2.092 0.853 4.035 1.00 . A A . 3 AIB N 1 1
20 3755 1 1 3 ABA O O 3.455 -2.243 4.193 1.00 . A A . 3 AIB O 1 1
20 3756 1 1 4 ABA C C 4.688 -1.636 0.094 1.00 . A A . 4 AIB C 1 1
20 3757 1 1 4 ABA CA C 3.953 -2.089 1.370 1.00 . A A . 4 AIB CA 1 1
20 3758 1 1 4 ABA H H 3.772 -0.056 1.898 1.00 . A A . 4 AIB H 1 1
20 3759 1 1 4 ABA N N 3.743 -0.962 2.287 1.00 . A A . 4 AIB N 1 1
20 3760 1 1 4 ABA O O 5.510 -2.409 -0.422 1.00 . A A . 4 AIB O 1 1
20 3761 1 1 5 ABA C C 6.375 -0.470 -1.855 1.00 . A A . 5 AIB C 1 1
20 3762 1 1 5 ABA CA C 4.997 0.168 -1.596 1.00 . A A . 5 AIB CA 1 1
20 3763 1 1 5 ABA H H 3.706 0.184 0.070 1.00 . A A . 5 AIB H 1 1
20 3764 1 1 5 ABA N N 4.372 -0.389 -0.387 1.00 . A A . 5 AIB N 1 1
20 3765 1 1 5 ABA O O 7.388 0.109 -1.429 1.00 . A A . 5 AIB O 1 1
20 3766 1 1 6 . C C 8.626 -2.268 -1.669 1.00 . A A . 6 DIV C 1 1
20 3767 1 1 6 . CA C 7.637 -2.375 -2.854 1.00 . A A . 6 DIV CA 1 1
20 3768 1 1 6 . CB1 C 7.412 -3.762 -3.371 1.00 . A A . 6 DIV CB1 1 1
20 3769 1 1 6 . CB2 C 8.318 -1.935 -4.143 1.00 . A A . 6 DIV CB2 1 1
20 3770 1 1 6 . CG1 C 6.601 -4.626 -2.416 1.00 . A A . 6 DIV CG1 1 1
20 3771 1 1 6 . H H 5.546 -2.070 -2.856 1.00 . A A . 6 DIV H 1 1
20 3772 1 1 6 . HB11 H 8.363 -4.250 -3.527 1.00 . A A . 6 DIV HB11 1 1
20 3773 1 1 6 . HB12 H 6.875 -3.721 -4.308 1.00 . A A . 6 DIV HB12 1 1
20 3774 1 1 6 . HB21 H 8.645 -0.910 -4.051 1.00 . A A . 6 DIV HB21 1 1
20 3775 1 1 6 . HB22 H 7.624 -2.014 -4.967 1.00 . A A . 6 DIV HB22 1 1
20 3776 1 1 6 . HB23 H 9.173 -2.565 -4.337 1.00 . A A . 6 DIV HB23 1 1
20 3777 1 1 6 . HG11 H 5.629 -4.178 -2.253 1.00 . A A . 6 DIV HG11 1 1
20 3778 1 1 6 . HG12 H 7.121 -4.716 -1.471 1.00 . A A . 6 DIV HG12 1 1
20 3779 1 1 6 . HG13 H 6.472 -5.607 -2.847 1.00 . A A . 6 DIV HG13 1 1
20 3780 1 1 6 . N N 6.385 -1.655 -2.545 1.00 . A A . 6 DIV N 1 1
20 3781 1 1 6 . O O 9.725 -1.737 -1.822 1.00 . A A . 6 DIV O 1 1
20 3782 1 1 7 GLY C C 9.327 -1.271 1.113 1.00 . A A . 7 GLY C 1 1
20 3783 1 1 7 GLY CA C 9.084 -2.702 0.673 1.00 . A A . 7 GLY CA 1 1
20 3784 1 1 7 GLY H H 7.323 -3.189 -0.392 1.00 . A A . 7 GLY H 1 1
20 3785 1 1 7 GLY HA2 H 10.030 -3.158 0.427 1.00 . A A . 7 GLY HA2 1 1
20 3786 1 1 7 GLY HA3 H 8.632 -3.253 1.488 1.00 . A A . 7 GLY HA3 1 1
20 3787 1 1 7 GLY N N 8.214 -2.775 -0.485 1.00 . A A . 7 GLY N 1 1
20 3788 1 1 7 GLY O O 10.359 -0.968 1.708 1.00 . A A . 7 GLY O 1 1
20 3789 1 1 8 LEU C C 9.895 1.552 1.026 1.00 . A A . 8 LEU C 1 1
20 3790 1 1 8 LEU CA C 8.464 1.022 1.156 1.00 . A A . 8 LEU CA 1 1
20 3791 1 1 8 LEU CB C 7.926 1.278 2.571 1.00 . A A . 8 LEU CB 1 1
20 3792 1 1 8 LEU CD1 C 9.205 1.375 4.727 1.00 . A A . 8 LEU CD1 1 1
20 3793 1 1 8 LEU CD2 C 7.547 -0.458 4.333 1.00 . A A . 8 LEU CD2 1 1
20 3794 1 1 8 LEU CG C 8.574 0.461 3.688 1.00 . A A . 8 LEU CG 1 1
20 3795 1 1 8 LEU H H 7.579 -0.708 0.325 1.00 . A A . 8 LEU H 1 1
20 3796 1 1 8 LEU HA H 7.841 1.560 0.456 1.00 . A A . 8 LEU HA 1 1
20 3797 1 1 8 LEU HB2 H 8.064 2.326 2.797 1.00 . A A . 8 LEU HB2 1 1
20 3798 1 1 8 LEU HB3 H 6.867 1.067 2.571 1.00 . A A . 8 LEU HB3 1 1
20 3799 1 1 8 LEU HD11 H 8.445 2.014 5.154 1.00 . A A . 8 LEU HD11 1 1
20 3800 1 1 8 LEU HD12 H 9.653 0.778 5.507 1.00 . A A . 8 LEU HD12 1 1
20 3801 1 1 8 LEU HD13 H 9.965 1.983 4.259 1.00 . A A . 8 LEU HD13 1 1
20 3802 1 1 8 LEU HD21 H 6.723 -0.611 3.651 1.00 . A A . 8 LEU HD21 1 1
20 3803 1 1 8 LEU HD22 H 8.007 -1.409 4.560 1.00 . A A . 8 LEU HD22 1 1
20 3804 1 1 8 LEU HD23 H 7.183 -0.007 5.244 1.00 . A A . 8 LEU HD23 1 1
20 3805 1 1 8 LEU HG H 9.354 -0.152 3.272 1.00 . A A . 8 LEU HG 1 1
20 3806 1 1 8 LEU N N 8.372 -0.394 0.809 1.00 . A A . 8 LEU N 1 1
20 3807 1 1 8 LEU O O 10.453 2.071 2.007 1.00 . A A . 8 LEU O 1 1
20 3808 1 1 9 ABA C C 12.883 0.942 0.013 1.00 . A A . 9 AIB C 1 1
20 3809 1 1 9 ABA CA C 11.806 1.913 -0.511 1.00 . A A . 9 AIB CA 1 1
20 3810 1 1 9 ABA H H 9.925 1.022 -0.928 1.00 . A A . 9 AIB H 1 1
20 3811 1 1 9 ABA N N 10.450 1.430 -0.207 1.00 . A A . 9 AIB N 1 1
20 3812 1 1 9 ABA O O 14.078 1.254 -0.124 1.00 . A A . 9 AIB O 1 1
20 3813 1 1 10 ABA C C 14.364 -1.697 0.077 1.00 . A A . 10 AIB C 1 1
20 3814 1 1 10 ABA CA C 13.359 -1.217 1.146 1.00 . A A . 10 AIB CA 1 1
20 3815 1 1 10 ABA H H 11.475 -0.404 0.682 1.00 . A A . 10 AIB H 1 1
20 3816 1 1 10 ABA N N 12.439 -0.210 0.601 1.00 . A A . 10 AIB N 1 1
20 3817 1 1 10 ABA O O 15.559 -1.778 0.362 1.00 . A A . 10 AIB O 1 1
20 3818 1 1 11 HYP C C 15.690 -1.376 -2.793 1.00 . A A . 11 HYP C 1 1
20 3819 1 1 11 HYP CA C 14.852 -2.500 -2.190 1.00 . A A . 11 HYP CA 1 1
20 3820 1 1 11 HYP CB C 13.970 -3.135 -3.279 1.00 . A A . 11 HYP CB 1 1
20 3821 1 1 11 HYP CD C 12.516 -2.183 -1.684 1.00 . A A . 11 HYP CD 1 1
20 3822 1 1 11 HYP CG C 12.613 -3.361 -2.624 1.00 . A A . 11 HYP CG 1 1
20 3823 1 1 11 HYP HA H 15.514 -3.253 -1.788 1.00 . A A . 11 HYP HA 1 1
20 3824 1 1 11 HYP HB2 H 14.410 -4.066 -3.602 1.00 . A A . 11 HYP HB2 1 1
20 3825 1 1 11 HYP HB3 H 13.893 -2.460 -4.119 1.00 . A A . 11 HYP HB3 1 1
20 3826 1 1 11 HYP HD1 H 13.344 -4.517 -1.218 1.00 . A A . 11 HYP HD1 1 1
20 3827 1 1 11 HYP HD22 H 12.206 -1.297 -2.221 1.00 . A A . 11 HYP HD22 1 1
20 3828 1 1 11 HYP HD23 H 11.826 -2.398 -0.882 1.00 . A A . 11 HYP HD23 1 1
20 3829 1 1 11 HYP HG H 11.853 -3.259 -3.385 1.00 . A A . 11 HYP HG 1 1
20 3830 1 1 11 HYP N N 13.899 -2.031 -1.165 1.00 . A A . 11 HYP N 1 1
20 3831 1 1 11 HYP O O 16.692 -1.633 -3.462 1.00 . A A . 11 HYP O 1 1
20 3832 1 1 11 HYP OD1 O 12.615 -4.543 -1.842 1.00 . A A . 11 HYP OD1 1 1
20 3833 1 1 12 GLN C C 16.914 1.643 -2.051 1.00 . A A . 12 GLN C 1 1
20 3834 1 1 12 GLN CA C 16.009 1.012 -3.105 1.00 . A A . 12 GLN CA 1 1
20 3835 1 1 12 GLN CB C 15.031 2.056 -3.643 1.00 . A A . 12 GLN CB 1 1
20 3836 1 1 12 GLN CD C 15.060 1.472 -6.103 1.00 . A A . 12 GLN CD 1 1
20 3837 1 1 12 GLN CG C 14.226 1.578 -4.842 1.00 . A A . 12 GLN CG 1 1
20 3838 1 1 12 GLN H H 14.475 0.019 -2.029 1.00 . A A . 12 GLN H 1 1
20 3839 1 1 12 GLN HA H 16.625 0.658 -3.919 1.00 . A A . 12 GLN HA 1 1
20 3840 1 1 12 GLN HB2 H 14.342 2.324 -2.858 1.00 . A A . 12 GLN HB2 1 1
20 3841 1 1 12 GLN HB3 H 15.586 2.935 -3.938 1.00 . A A . 12 GLN HB3 1 1
20 3842 1 1 12 GLN HE21 H 15.238 -0.493 -5.852 1.00 . A A . 12 GLN HE21 1 1
20 3843 1 1 12 GLN HE22 H 16.024 0.160 -7.245 1.00 . A A . 12 GLN HE22 1 1
20 3844 1 1 12 GLN HG2 H 13.814 0.604 -4.620 1.00 . A A . 12 GLN HG2 1 1
20 3845 1 1 12 GLN HG3 H 13.420 2.276 -5.019 1.00 . A A . 12 GLN HG3 1 1
20 3846 1 1 12 GLN N N 15.282 -0.132 -2.565 1.00 . A A . 12 GLN N 1 1
20 3847 1 1 12 GLN NE2 N 15.484 0.257 -6.433 1.00 . A A . 12 GLN NE2 1 1
20 3848 1 1 12 GLN O O 18.089 1.925 -2.339 1.00 . A A . 12 GLN O 1 1
20 3849 1 1 12 GLN OE1 O 15.322 2.471 -6.773 1.00 . A A . 12 GLN OE1 1 1
20 3850 1 1 13 . C C 18.545 1.987 0.294 1.00 . A A . 13 DIV C 1 1
20 3851 1 1 13 . CA C 17.075 2.478 0.277 1.00 . A A . 13 DIV CA 1 1
20 3852 1 1 13 . CB1 C 16.872 3.986 0.314 1.00 . A A . 13 DIV CB1 1 1
20 3853 1 1 13 . CB2 C 16.442 2.267 1.646 1.00 . A A . 13 DIV CB2 1 1
20 3854 1 1 13 . CG1 C 17.878 4.751 1.162 1.00 . A A . 13 DIV CG1 1 1
20 3855 1 1 13 . H H 15.399 1.616 -0.716 1.00 . A A . 13 DIV H 1 1
20 3856 1 1 13 . HB11 H 15.885 4.217 0.690 1.00 . A A . 13 DIV HB11 1 1
20 3857 1 1 13 . HB12 H 16.953 4.371 -0.692 1.00 . A A . 13 DIV HB12 1 1
20 3858 1 1 13 . HB21 H 17.037 2.751 2.405 1.00 . A A . 13 DIV HB21 1 1
20 3859 1 1 13 . HB22 H 16.384 1.212 1.863 1.00 . A A . 13 DIV HB22 1 1
20 3860 1 1 13 . HB23 H 15.446 2.687 1.655 1.00 . A A . 13 DIV HB23 1 1
20 3861 1 1 13 . HG11 H 17.984 4.286 2.132 1.00 . A A . 13 DIV HG11 1 1
20 3862 1 1 13 . HG12 H 17.531 5.766 1.291 1.00 . A A . 13 DIV HG12 1 1
20 3863 1 1 13 . HG13 H 18.834 4.765 0.662 1.00 . A A . 13 DIV HG13 1 1
20 3864 1 1 13 . N N 16.339 1.863 -0.847 1.00 . A A . 13 DIV N 1 1
20 3865 1 1 13 . O O 19.431 2.804 0.516 1.00 . A A . 13 DIV O 1 1
20 3866 1 1 14 . C C 21.300 1.131 0.325 1.00 . A A . 14 0AZ C 1 1
20 3867 1 1 14 . CA C 20.181 0.115 0.032 1.00 . A A . 14 0AZ CA 1 1
20 3868 1 1 14 . CB C 20.095 -0.908 1.164 1.00 . A A . 14 0AZ CB 1 1
20 3869 1 1 14 . CD C 17.900 -0.511 0.277 1.00 . A A . 14 0AZ CD 1 1
20 3870 1 1 14 . CG C 18.743 -1.588 0.951 1.00 . A A . 14 0AZ CG 1 1
20 3871 1 1 14 . HA H 20.392 -0.411 -0.904 1.00 . A A . 14 0AZ HA 1 1
20 3872 1 1 14 . HB2 H 20.138 -0.406 2.131 1.00 . A A . 14 0AZ HB2 1 1
20 3873 1 1 14 . HB3 H 20.910 -1.612 1.081 1.00 . A A . 14 0AZ HB3 1 1
20 3874 1 1 14 . HD1 H 18.308 -1.190 2.816 1.00 . A A . 14 0AZ HD1 1 1
20 3875 1 1 14 . HD22 H 17.518 -0.877 -0.664 1.00 . A A . 14 0AZ HD22 1 1
20 3876 1 1 14 . HD23 H 17.083 -0.233 0.925 1.00 . A A . 14 0AZ HD23 1 1
20 3877 1 1 14 . HG H 18.888 -2.395 0.249 1.00 . A A . 14 0AZ HG 1 1
20 3878 1 1 14 . N N 18.809 0.652 0.049 1.00 . A A . 14 0AZ N 1 1
20 3879 1 1 14 . O O 22.022 0.948 1.312 1.00 . A A . 14 0AZ O 1 1
20 3880 1 1 14 . OD1 O 18.131 -1.897 2.191 1.00 . A A . 14 0AZ OD1 1 1
20 3881 1 1 15 ABA C C 23.243 3.073 0.912 1.00 . A A . 15 AIB C 1 1
20 3882 1 1 15 ABA CA C 22.448 3.224 -0.403 1.00 . A A . 15 AIB CA 1 1
20 3883 1 1 15 ABA H H 20.809 2.260 -1.311 1.00 . A A . 15 AIB H 1 1
20 3884 1 1 15 ABA N N 21.420 2.177 -0.548 1.00 . A A . 15 AIB N 1 1
20 3885 1 1 15 ABA O O 24.436 2.773 0.864 1.00 . A A . 15 AIB O 1 1
20 3886 1 1 16 PRO C C 24.396 2.067 3.373 1.00 . A A . 16 PRO C 1 1
20 3887 1 1 16 PRO CA C 23.385 3.215 3.366 1.00 . A A . 16 PRO CA 1 1
20 3888 1 1 16 PRO CB C 22.318 2.991 4.436 1.00 . A A . 16 PRO CB 1 1
20 3889 1 1 16 PRO CD C 21.154 3.406 2.414 1.00 . A A . 16 PRO CD 1 1
20 3890 1 1 16 PRO CG C 21.113 3.657 3.891 1.00 . A A . 16 PRO CG 1 1
20 3891 1 1 16 PRO HA H 23.907 4.138 3.573 1.00 . A A . 16 PRO HA 1 1
20 3892 1 1 16 PRO HB2 H 22.159 1.932 4.577 1.00 . A A . 16 PRO HB2 1 1
20 3893 1 1 16 PRO HB3 H 22.632 3.442 5.367 1.00 . A A . 16 PRO HB3 1 1
20 3894 1 1 16 PRO HD2 H 20.655 2.478 2.179 1.00 . A A . 16 PRO HD2 1 1
20 3895 1 1 16 PRO HD3 H 20.698 4.225 1.880 1.00 . A A . 16 PRO HD3 1 1
20 3896 1 1 16 PRO HG2 H 20.223 3.224 4.324 1.00 . A A . 16 PRO HG2 1 1
20 3897 1 1 16 PRO HG3 H 21.154 4.717 4.092 1.00 . A A . 16 PRO HG3 1 1
20 3898 1 1 16 PRO N N 22.616 3.316 2.106 1.00 . A A . 16 PRO N 1 1
20 3899 1 1 16 PRO O O 25.485 2.195 3.931 1.00 . A A . 16 PRO O 1 1
20 3900 1 1 17 PDH C C 23.983 -1.505 2.507 1.00 . A A . 17 PDH C 1 1
20 3901 1 1 17 PDH CA C 24.942 -0.265 2.704 1.00 . A A . 17 PDH CA 1 1
20 3902 1 1 17 PDH CB C 26.282 -0.169 2.024 1.00 . A A . 17 PDH CB 1 1
20 3903 1 1 17 PDH CD1 C 27.960 -0.699 3.829 1.00 . A A . 17 PDH CD1 1 1
20 3904 1 1 17 PDH CD2 C 27.984 1.491 2.861 1.00 . A A . 17 PDH CD2 1 1
20 3905 1 1 17 PDH CE1 C 29.018 -0.349 4.655 1.00 . A A . 17 PDH CE1 1 1
20 3906 1 1 17 PDH CE2 C 29.041 1.847 3.685 1.00 . A A . 17 PDH CE2 1 1
20 3907 1 1 17 PDH CG C 27.432 0.217 2.924 1.00 . A A . 17 PDH CG 1 1
20 3908 1 1 17 PDH CZ C 29.559 0.925 4.582 1.00 . A A . 17 PDH CZ 1 1
20 3909 1 1 17 PDH H1 H 23.242 -1.271 1.757 1.00 . A A . 17 PDH H1 1 1
20 3910 1 1 17 PDH H2 H 23.491 -1.730 3.442 1.00 . A A . 17 PDH H2 1 1
20 3911 1 1 17 PDH HA H 25.418 -0.353 3.535 1.00 . A A . 17 PDH HA 1 1
20 3912 1 1 17 PDH HD1 H 27.540 -1.692 3.885 1.00 . A A . 17 PDH HD1 1 1
20 3913 1 1 17 PDH HD2 H 27.582 2.210 2.162 1.00 . A A . 17 PDH HD2 1 1
20 3914 1 1 17 PDH HE1 H 29.419 -1.068 5.353 1.00 . A A . 17 PDH HE1 1 1
20 3915 1 1 17 PDH HE2 H 29.461 2.840 3.628 1.00 . A A . 17 PDH HE2 1 1
20 3916 1 1 17 PDH HN H 23.149 0.900 2.335 1.00 . A A . 17 PDH HN 1 1
20 3917 1 1 17 PDH HO H 24.193 -3.438 2.275 1.00 . A A . 17 PDH HO 1 1
20 3918 1 1 17 PDH HZ H 30.382 1.199 5.224 1.00 . A A . 17 PDH HZ 1 1
20 3919 1 1 17 PDH N N 24.031 0.947 2.760 1.00 . A A . 17 PDH N 1 1
20 3920 1 1 17 PDH O O 24.707 -2.649 2.089 1.00 . A A . 17 PDH O 1 1
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