NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
382047 |
1jcp   |
5138 | cing | 4-filtered-FRED | STAR | entry | full | 46 |
data_FRED_restraints_with_modified_coordinates_PDB_code_1jcp
# This FRED archive file contains, for PDB entry <1jcp>:
#
# - 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_1jcp
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 1jcp
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 1386.57
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 . 1 $Edap___ACE_Ile_Trp_Glu_Ser_Gly_Lys_Leu_Ile_Dap_Thr_Thr_Ala_ANALOGUE_OF_HIV_G A . 1 1
stop_
save_
save_Edap___ACE_Ile_Trp_Glu_Ser_Gly_Lys_Leu_Ile_Dap_Thr_Thr_Ala_ANALOGUE_OF_HIV_G
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Edap ACE Ile Trp Glu Ser Gly Lys Leu Ile Dap Thr Thr Ala ANALOGUE OF HIV G"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code XIWGESGKLIXTTA
_Entity.Number_of_monomers 14
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 ILE . 1 1
3 TRP . 1 1
4 GLY . 1 1
5 GLU . 1 1
6 SER . 1 1
7 GLY . 1 1
8 LYS . 1 1
9 LEU . 1 1
10 ILE . 1 1
11 . $. 1 1
12 THR . 1 1
13 THR . 1 1
14 ALA . 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
ILE 2 2 1 1
TRP 3 3 1 1
GLY 4 4 1 1
GLU 5 5 1 1
SER 6 6 1 1
GLY 7 7 1 1
LYS 8 8 1 1
LEU 9 9 1 1
ILE 10 10 1 1
. 11 11 1 1
THR 12 12 1 1
THR 13 13 1 1
ALA 14 14 1 1
stop_
save_
save_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID ACE
_Chem_comp.Type non-polymer
save_
save_.
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID .
_Chem_comp.Type non-polymer
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
17 1 . . . 1 1
18 1 . . . 1 1
19 1 . . . 1 1
20 1 . . . 1 1
21 1 . . . 1 1
22 1 . . . 1 1
23 1 . . . 1 1
24 1 . . . 1 1
25 1 . . . 1 1
26 1 . . . 1 1
27 1 . . . 1 1
28 1 . . . 1 1
29 1 . . . 1 1
30 1 . . . 1 1
31 1 . . . 1 1
32 1 . . . 1 1
33 1 . . . 1 1
34 1 . . . 1 1
35 1 . . . 1 1
36 1 . . . 1 1
37 1 . . . 1 1
38 1 . . . 1 1
39 1 . . . 1 1
40 1 . . . 1 1
41 1 . . . 1 1
42 1 . . . 1 1
43 1 . . . 1 1
44 1 . . . 1 1
45 1 . . . 1 1
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 ILE H . 2 ILE HN 1 1
1 1 2 1 1 2 ILE HA . 2 ILE HA 1 1
2 1 1 1 1 2 ILE H . 2 ILE HN 1 1
2 1 2 1 1 2 ILE HB . 2 ILE HB 1 1
3 1 1 1 1 2 ILE H . 2 ILE HN 1 1
3 1 2 1 1 2 ILE MG . 2 ILE QG2 1 1
4 1 1 1 1 2 ILE H . 2 ILE HN 1 1
4 1 2 1 1 2 ILE MD . 2 ILE QD1 1 1
5 1 1 1 1 2 ILE H . 2 ILE HN 1 1
5 1 2 1 1 3 TRP H . 3 TRP HN 1 1
6 1 1 1 1 2 ILE HA . 2 ILE HA 1 1
6 1 2 1 1 3 TRP H . 3 TRP HN 1 1
7 1 1 1 1 2 ILE HA . 2 ILE HA 1 1
7 1 2 1 1 3 TRP HD1 . 3 TRP HD1 1 1
8 1 1 1 1 2 ILE HB . 2 ILE HB 1 1
8 1 2 1 1 3 TRP H . 3 TRP HN 1 1
9 1 1 1 1 2 ILE QG . 2 ILE QG1 1 1
9 1 2 1 1 3 TRP H . 3 TRP HN 1 1
10 1 1 1 1 2 ILE MD . 2 ILE QD1 1 1
10 1 2 1 1 3 TRP H . 3 TRP HN 1 1
11 1 1 1 1 2 ILE MD . 2 ILE QD1 1 1
11 1 2 1 1 3 TRP HD1 . 3 TRP HD1 1 1
12 1 1 1 1 3 TRP H . 3 TRP HN 1 1
12 1 2 1 1 3 TRP HA . 3 TRP HA 1 1
13 1 1 1 1 3 TRP H . 3 TRP HN 1 1
13 1 2 1 1 3 TRP QB . 3 TRP QB 1 1
14 1 1 1 1 3 TRP H . 3 TRP HN 1 1
14 1 2 1 1 4 GLY H . 4 GLY HN 1 1
15 1 1 1 1 3 TRP HA . 3 TRP HA 1 1
15 1 2 1 1 4 GLY H . 4 GLY HN 1 1
16 1 1 1 1 3 TRP QB . 3 TRP QB 1 1
16 1 2 1 1 4 GLY H . 4 GLY HN 1 1
17 1 1 1 1 3 TRP HD1 . 3 TRP HD1 1 1
17 1 2 1 1 4 GLY H . 4 GLY HN 1 1
18 1 1 1 1 4 GLY QA . 4 GLY QA 1 1
18 1 2 1 1 5 GLU H . 5 GLS HN 1 1
19 1 1 1 1 5 GLU H . 5 GLS HN 1 1
19 1 2 1 1 5 GLU HA . 5 GLS HA 1 1
20 1 1 1 1 5 GLU H . 5 GLS HN 1 1
20 1 2 1 1 5 GLU QG . 5 GLS QG 1 1
21 1 1 1 1 5 GLU H . 5 GLS HN 1 1
21 1 2 1 1 5 GLU QB . 5 GLS QB 1 1
22 1 1 1 1 5 GLU HA . 5 GLS HA 1 1
22 1 2 1 1 6 SER H . 6 SER HN 1 1
23 1 1 1 1 5 GLU QG . 5 GLS QG 1 1
23 1 2 1 1 6 SER H . 6 SER HN 1 1
24 1 1 1 1 5 GLU QB . 5 GLS QB 1 1
24 1 2 1 1 6 SER H . 6 SER HN 1 1
25 1 1 1 1 5 GLU QB . 5 GLS QB 1 1
25 1 2 1 1 7 GLY H . 7 GLY HN 1 1
26 1 1 1 1 5 GLU QG . 5 GLS QG 1 1
26 1 2 1 1 7 GLY H . 7 GLY HN 1 1
27 1 1 1 1 6 SER HA . 6 SER HA 1 1
27 1 2 1 1 7 GLY H . 7 GLY HN 1 1
28 1 1 1 1 6 SER QB . 6 SER QB 1 1
28 1 2 1 1 7 GLY H . 7 GLY HN 1 1
29 1 1 1 1 7 GLY H . 7 GLY HN 1 1
29 1 2 1 1 8 LYS H . 8 LYS HN 1 1
30 1 1 1 1 7 GLY QA . 7 GLY QA 1 1
30 1 2 1 1 8 LYS H . 8 LYS HN 1 1
31 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
31 1 2 1 1 9 LEU HG . 9 LEU HG 1 1
32 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
32 1 2 1 1 9 LEU QD . 9 LEU QD1 1 1
33 1 1 1 1 9 LEU HA . 9 LEU HA 1 1
33 1 2 1 1 10 ILE H . 10 ILE HN 1 1
34 1 1 1 1 9 LEU QB . 9 LEU QB 1 1
34 1 2 1 1 10 ILE H . 10 ILE HN 1 1
35 1 1 1 1 9 LEU HG . 9 LEU HG 1 1
35 1 2 1 1 10 ILE H . 10 ILE HN 1 1
36 1 1 1 1 10 ILE H . 10 ILE HN 1 1
36 1 2 1 1 10 ILE HA . 10 ILE HA 1 1
37 1 1 1 1 10 ILE H . 10 ILE HN 1 1
37 1 2 1 1 10 ILE HB . 10 ILE HB 1 1
38 1 1 1 1 10 ILE H . 10 ILE HN 1 1
38 1 2 1 1 10 ILE MG . 10 ILE QG2 1 1
39 1 1 1 1 10 ILE H . 10 ILE HN 1 1
39 1 2 1 1 10 ILE MD . 10 ILE QD1 1 1
40 1 1 1 1 10 ILE MD . 10 ILE QD1 1 1
40 1 2 1 1 12 THR H . 12 THR HN 1 1
41 1 1 1 1 12 THR H . 12 THR HN 1 1
41 1 2 1 1 13 THR H . 13 THR HN 1 1
42 1 1 1 1 12 THR HA . 12 THR HA 1 1
42 1 2 1 1 13 THR H . 13 THR HN 1 1
43 1 1 1 1 13 THR H . 13 THR HN 1 1
43 1 2 1 1 13 THR HA . 13 THR HA 1 1
44 1 1 1 1 13 THR H . 13 THR HN 1 1
44 1 2 1 1 13 THR HB . 13 THR HB 1 1
45 1 1 1 1 13 THR H . 13 THR HN 1 1
45 1 2 1 1 13 THR MG . 13 THR QG2 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 . . . . . . 2.8 3.8 1 1
2 1 . . . . . . 2.8 3.8 1 1
3 1 . . . . . . 3.8 4.8 1 1
4 1 . . . . . . 3.8 5.5 1 1
5 1 . . . . . . 3.5 4.5 1 1
6 1 . . . . . . 1.8 2.8 1 1
7 1 . . . . . . 4.8 5.5 1 1
8 1 . . . . . . 2.8 3.8 1 1
9 1 . . . . . . 3.8 5.5 1 1
10 1 . . . . . . 3.8 5.5 1 1
11 1 . . . . . . 4.5 6.5 1 1
12 1 . . . . . . 2.8 3.8 1 1
13 1 . . . . . . 2.8 3.8 1 1
14 1 . . . . . . 3.0 4.0 1 1
15 1 . . . . . . 2.2 3.2 1 1
16 1 . . . . . . 2.8 3.8 1 1
17 1 . . . . . . 3.8 5.5 1 1
18 1 . . . . . . 3.2 4.2 1 1
19 1 . . . . . . 2.8 3.8 1 1
20 1 . . . . . . 2.8 4.8 1 1
21 1 . . . . . . 2.8 4.8 1 1
22 1 . . . . . . 1.8 2.8 1 1
23 1 . . . . . . 3.8 5.5 1 1
24 1 . . . . . . 3.8 5.5 1 1
25 1 . . . . . . 4.5 6.5 1 1
26 1 . . . . . . 4.5 5.5 1 1
27 1 . . . . . . 1.8 2.8 1 1
28 1 . . . . . . 3.8 5.5 1 1
29 1 . . . . . . 2.8 3.8 1 1
30 1 . . . . . . 2.8 5.5 1 1
31 1 . . . . . . 2.8 4.2 1 1
32 1 . . . . . . 3.8 5.5 1 1
33 1 . . . . . . 2.2 3.2 1 1
34 1 . . . . . . 3.8 5.5 1 1
35 1 . . . . . . 3.8 5.5 1 1
36 1 . . . . . . 2.8 3.8 1 1
37 1 . . . . . . 2.8 3.8 1 1
38 1 . . . . . . 3.2 5.5 1 1
39 1 . . . . . . 3.8 5.5 1 1
40 1 . . . . . . 5.5 6.5 1 1
41 1 . . . . . . 2.8 3.8 1 1
42 1 . . . . . . 2.8 3.8 1 1
43 1 . . . . . . 2.8 3.8 1 1
44 1 . . . . . . 2.8 3.8 1 1
45 1 . . . . . . 3.8 4.8 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 2
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 5 GLU QG . 5 GLS QG 1 2
1 1 2 1 1 6 SER HA . 6 SER HA 1 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.8 5.5 1 2
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 ACE C C 7.631 1.132 -1.554 1.00 . A A . 1 ACE C 1 1
1 2 1 1 1 ACE CH3 C 9.020 0.693 -2.004 1.00 . A A . 1 ACE CH3 1 1
1 3 1 1 1 ACE H1 H 8.974 0.191 -2.988 1.00 . A A . 1 ACE H1 1 1
1 4 1 1 1 ACE H2 H 9.693 1.563 -2.107 1.00 . A A . 1 ACE H2 1 1
1 5 1 1 1 ACE H3 H 9.497 -0.001 -1.287 1.00 . A A . 1 ACE H3 1 1
1 6 1 1 1 ACE O O 7.264 2.298 -1.714 1.00 . A A . 1 ACE O 1 1
1 7 1 1 2 ILE C C 5.538 1.103 0.907 1.00 . A A . 2 ILE C 1 1
1 8 1 1 2 ILE CA C 5.488 0.421 -0.494 1.00 . A A . 2 ILE CA 1 1
1 9 1 1 2 ILE CB C 4.553 -0.846 -0.562 1.00 . A A . 2 ILE CB 1 1
1 10 1 1 2 ILE CD1 C 5.171 -2.307 1.536 1.00 . A A . 2 ILE CD1 1 1
1 11 1 1 2 ILE CG1 C 5.094 -2.196 0.007 1.00 . A A . 2 ILE CG1 1 1
1 12 1 1 2 ILE CG2 C 4.047 -1.081 -2.008 1.00 . A A . 2 ILE CG2 1 1
1 13 1 1 2 ILE H H 7.336 -0.721 -0.854 1.00 . A A . 2 ILE H 1 1
1 14 1 1 2 ILE HA H 5.036 1.164 -1.182 1.00 . A A . 2 ILE HA 1 1
1 15 1 1 2 ILE HB H 3.635 -0.605 0.010 1.00 . A A . 2 ILE HB 1 1
1 16 1 1 2 ILE HD11 H 4.221 -2.009 2.019 1.00 . A A . 2 ILE HD11 1 1
1 17 1 1 2 ILE HD12 H 5.380 -3.347 1.846 1.00 . A A . 2 ILE HD12 1 1
1 18 1 1 2 ILE HD13 H 5.978 -1.685 1.959 1.00 . A A . 2 ILE HD13 1 1
1 19 1 1 2 ILE HG12 H 4.439 -3.024 -0.327 1.00 . A A . 2 ILE HG12 1 1
1 20 1 1 2 ILE HG13 H 6.080 -2.435 -0.432 1.00 . A A . 2 ILE HG13 1 1
1 21 1 1 2 ILE HG21 H 4.870 -1.333 -2.703 1.00 . A A . 2 ILE HG21 1 1
1 22 1 1 2 ILE HG22 H 3.307 -1.903 -2.061 1.00 . A A . 2 ILE HG22 1 1
1 23 1 1 2 ILE HG23 H 3.539 -0.187 -2.413 1.00 . A A . 2 ILE HG23 1 1
1 24 1 1 2 ILE N N 6.869 0.176 -1.000 1.00 . A A . 2 ILE N 1 1
1 25 1 1 2 ILE O O 6.328 0.734 1.782 1.00 . A A . 2 ILE O 1 1
1 26 1 1 3 TRP C C 3.114 3.074 2.711 1.00 . A A . 3 TRP C 1 1
1 27 1 1 3 TRP CA C 4.615 2.920 2.340 1.00 . A A . 3 TRP CA 1 1
1 28 1 1 3 TRP CB C 5.313 4.304 2.203 1.00 . A A . 3 TRP CB 1 1
1 29 1 1 3 TRP CD1 C 7.835 3.584 2.444 1.00 . A A . 3 TRP CD1 1 1
1 30 1 1 3 TRP CD2 C 7.378 4.804 0.641 1.00 . A A . 3 TRP CD2 1 1
1 31 1 1 3 TRP CE2 C 8.741 4.409 0.619 1.00 . A A . 3 TRP CE2 1 1
1 32 1 1 3 TRP CE3 C 6.835 5.557 -0.431 1.00 . A A . 3 TRP CE3 1 1
1 33 1 1 3 TRP CG C 6.798 4.281 1.785 1.00 . A A . 3 TRP CG 1 1
1 34 1 1 3 TRP CH2 C 9.012 5.503 -1.522 1.00 . A A . 3 TRP CH2 1 1
1 35 1 1 3 TRP CZ2 C 9.565 4.758 -0.478 1.00 . A A . 3 TRP CZ2 1 1
1 36 1 1 3 TRP CZ3 C 7.668 5.895 -1.499 1.00 . A A . 3 TRP CZ3 1 1
1 37 1 1 3 TRP H H 4.061 2.290 0.294 1.00 . A A . 3 TRP H 1 1
1 38 1 1 3 TRP HA H 5.155 2.389 3.151 1.00 . A A . 3 TRP HA 1 1
1 39 1 1 3 TRP HB2 H 4.737 4.934 1.501 1.00 . A A . 3 TRP HB2 1 1
1 40 1 1 3 TRP HB3 H 5.238 4.828 3.175 1.00 . A A . 3 TRP HB3 1 1
1 41 1 1 3 TRP HD1 H 7.689 2.984 3.330 1.00 . A A . 3 TRP HD1 1 1
1 42 1 1 3 TRP HE1 H 9.939 3.196 1.963 1.00 . A A . 3 TRP HE1 1 1
1 43 1 1 3 TRP HE3 H 5.798 5.859 -0.434 1.00 . A A . 3 TRP HE3 1 1
1 44 1 1 3 TRP HH2 H 9.629 5.775 -2.365 1.00 . A A . 3 TRP HH2 1 1
1 45 1 1 3 TRP HZ2 H 10.600 4.451 -0.513 1.00 . A A . 3 TRP HZ2 1 1
1 46 1 1 3 TRP HZ3 H 7.266 6.461 -2.326 1.00 . A A . 3 TRP HZ3 1 1
1 47 1 1 3 TRP N N 4.690 2.129 1.083 1.00 . A A . 3 TRP N 1 1
1 48 1 1 3 TRP NE1 N 9.049 3.655 1.738 1.00 . A A . 3 TRP NE1 1 1
1 49 1 1 3 TRP O O 2.348 3.737 2.001 1.00 . A A . 3 TRP O 1 1
1 50 1 1 4 GLY C C 0.453 1.314 3.774 1.00 . A A . 4 GLY C 1 1
1 51 1 1 4 GLY CA C 1.307 2.485 4.314 1.00 . A A . 4 GLY CA 1 1
1 52 1 1 4 GLY H H 3.445 1.920 4.302 1.00 . A A . 4 GLY H 1 1
1 53 1 1 4 GLY HA2 H 1.303 2.485 5.420 1.00 . A A . 4 GLY HA2 1 1
1 54 1 1 4 GLY HA3 H 0.826 3.452 4.052 1.00 . A A . 4 GLY HA3 1 1
1 55 1 1 4 GLY N N 2.708 2.449 3.828 1.00 . A A . 4 GLY N 1 1
1 56 1 1 4 GLY O O -0.433 1.559 2.952 1.00 . A A . 4 GLY O 1 1
1 57 1 1 5 GLU C C -0.256 -2.085 4.965 1.00 . A A . 5 GLU C 1 1
1 58 1 1 5 GLU CA C -0.055 -1.131 3.756 1.00 . A A . 5 GLU CA 1 1
1 59 1 1 5 GLU CB C 0.711 -1.751 2.555 1.00 . A A . 5 GLU CB 1 1
1 60 1 1 5 GLU CD C 0.670 -3.247 0.470 1.00 . A A . 5 GLU CD 1 1
1 61 1 1 5 GLU CG C 0.069 -2.981 1.868 1.00 . A A . 5 GLU CG 1 1
1 62 1 1 5 GLU H H 1.515 -0.057 4.842 1.00 . A A . 5 GLU H 1 1
1 63 1 1 5 GLU HA H -1.054 -0.827 3.378 1.00 . A A . 5 GLU HA 1 1
1 64 1 1 5 GLU HB2 H 0.832 -0.956 1.793 1.00 . A A . 5 GLU HB2 1 1
1 65 1 1 5 GLU HB3 H 1.741 -2.019 2.862 1.00 . A A . 5 GLU HB3 1 1
1 66 1 1 5 GLU HG2 H 0.207 -3.879 2.500 1.00 . A A . 5 GLU HG2 1 1
1 67 1 1 5 GLU HG3 H -1.027 -2.829 1.807 1.00 . A A . 5 GLU HG3 1 1
1 68 1 1 5 GLU N N 0.704 0.062 4.224 1.00 . A A . 5 GLU N 1 1
1 69 1 1 5 GLU O O 0.580 -2.952 5.242 1.00 . A A . 5 GLU O 1 1
1 70 1 1 5 GLU OE1 O 1.885 -3.162 0.278 1.00 . A A . 5 GLU OE1 1 1
1 71 1 1 6 SER C C -3.276 -2.754 6.973 1.00 . A A . 6 SER C 1 1
1 72 1 1 6 SER CA C -1.727 -2.716 6.875 1.00 . A A . 6 SER CA 1 1
1 73 1 1 6 SER CB C -1.053 -2.152 8.151 1.00 . A A . 6 SER CB 1 1
1 74 1 1 6 SER H H -1.970 -1.124 5.368 1.00 . A A . 6 SER H 1 1
1 75 1 1 6 SER HA H -1.344 -3.749 6.738 1.00 . A A . 6 SER HA 1 1
1 76 1 1 6 SER HB2 H 0.042 -2.079 8.010 1.00 . A A . 6 SER HB2 1 1
1 77 1 1 6 SER HB3 H -1.403 -1.124 8.368 1.00 . A A . 6 SER HB3 1 1
1 78 1 1 6 SER HG H -0.878 -2.584 10.023 1.00 . A A . 6 SER HG 1 1
1 79 1 1 6 SER N N -1.374 -1.894 5.690 1.00 . A A . 6 SER N 1 1
1 80 1 1 6 SER O O -3.904 -1.807 7.461 1.00 . A A . 6 SER O 1 1
1 81 1 1 6 SER OG O -1.314 -2.992 9.271 1.00 . A A . 6 SER OG 1 1
1 82 1 1 7 GLY C C -6.012 -3.764 5.137 1.00 . A A . 7 GLY C 1 1
1 83 1 1 7 GLY CA C -5.357 -4.026 6.505 1.00 . A A . 7 GLY CA 1 1
1 84 1 1 7 GLY H H -3.251 -4.497 5.995 1.00 . A A . 7 GLY H 1 1
1 85 1 1 7 GLY HA2 H -5.576 -5.066 6.810 1.00 . A A . 7 GLY HA2 1 1
1 86 1 1 7 GLY HA3 H -5.842 -3.405 7.284 1.00 . A A . 7 GLY HA3 1 1
1 87 1 1 7 GLY N N -3.882 -3.852 6.486 1.00 . A A . 7 GLY N 1 1
1 88 1 1 7 GLY O O -6.446 -4.708 4.470 1.00 . A A . 7 GLY O 1 1
1 89 1 1 8 LYS C C -5.742 -2.474 2.243 1.00 . A A . 8 LYS C 1 1
1 90 1 1 8 LYS CA C -6.678 -2.072 3.427 1.00 . A A . 8 LYS CA 1 1
1 91 1 1 8 LYS CB C -6.943 -0.542 3.474 1.00 . A A . 8 LYS CB 1 1
1 92 1 1 8 LYS CD C -7.965 1.541 2.365 1.00 . A A . 8 LYS CD 1 1
1 93 1 1 8 LYS CE C -8.762 2.090 1.167 1.00 . A A . 8 LYS CE 1 1
1 94 1 1 8 LYS CG C -7.779 0.013 2.297 1.00 . A A . 8 LYS CG 1 1
1 95 1 1 8 LYS H H -5.662 -1.805 5.375 1.00 . A A . 8 LYS H 1 1
1 96 1 1 8 LYS HA H -7.660 -2.578 3.328 1.00 . A A . 8 LYS HA 1 1
1 97 1 1 8 LYS HB2 H -7.472 -0.287 4.414 1.00 . A A . 8 LYS HB2 1 1
1 98 1 1 8 LYS HB3 H -5.977 0.000 3.531 1.00 . A A . 8 LYS HB3 1 1
1 99 1 1 8 LYS HD2 H -8.473 1.807 3.313 1.00 . A A . 8 LYS HD2 1 1
1 100 1 1 8 LYS HD3 H -6.971 2.028 2.409 1.00 . A A . 8 LYS HD3 1 1
1 101 1 1 8 LYS HE2 H -8.258 1.827 0.217 1.00 . A A . 8 LYS HE2 1 1
1 102 1 1 8 LYS HE3 H -9.764 1.620 1.122 1.00 . A A . 8 LYS HE3 1 1
1 103 1 1 8 LYS HG2 H -7.295 -0.252 1.337 1.00 . A A . 8 LYS HG2 1 1
1 104 1 1 8 LYS HG3 H -8.767 -0.486 2.280 1.00 . A A . 8 LYS HG3 1 1
1 105 1 1 8 LYS HZ1 H -9.436 3.944 0.465 1.00 . A A . 8 LYS HZ1 1 1
1 106 1 1 8 LYS HZ2 H -9.401 3.842 2.111 1.00 . A A . 8 LYS HZ2 1 1
1 107 1 1 8 LYS HZ3 H -7.998 4.033 1.268 1.00 . A A . 8 LYS HZ3 1 1
1 108 1 1 8 LYS N N -6.086 -2.482 4.731 1.00 . A A . 8 LYS N 1 1
1 109 1 1 8 LYS NZ N -8.908 3.558 1.256 1.00 . A A . 8 LYS NZ 1 1
1 110 1 1 8 LYS O O -4.534 -2.209 2.277 1.00 . A A . 8 LYS O 1 1
1 111 1 1 9 LEU C C -5.321 -2.366 -0.991 1.00 . A A . 9 LEU C 1 1
1 112 1 1 9 LEU CA C -5.558 -3.549 0.000 1.00 . A A . 9 LEU CA 1 1
1 113 1 1 9 LEU CB C -6.311 -4.774 -0.619 1.00 . A A . 9 LEU CB 1 1
1 114 1 1 9 LEU CD1 C -6.484 -6.916 -1.969 1.00 . A A . 9 LEU CD1 1 1
1 115 1 1 9 LEU CD2 C -5.100 -5.055 -2.924 1.00 . A A . 9 LEU CD2 1 1
1 116 1 1 9 LEU CG C -5.571 -5.723 -1.615 1.00 . A A . 9 LEU CG 1 1
1 117 1 1 9 LEU H H -7.328 -3.266 1.295 1.00 . A A . 9 LEU H 1 1
1 118 1 1 9 LEU HA H -4.575 -3.918 0.359 1.00 . A A . 9 LEU HA 1 1
1 119 1 1 9 LEU HB2 H -6.653 -5.419 0.216 1.00 . A A . 9 LEU HB2 1 1
1 120 1 1 9 LEU HB3 H -7.251 -4.419 -1.086 1.00 . A A . 9 LEU HB3 1 1
1 121 1 1 9 LEU HD11 H -6.794 -7.476 -1.067 1.00 . A A . 9 LEU HD11 1 1
1 122 1 1 9 LEU HD12 H -7.407 -6.596 -2.489 1.00 . A A . 9 LEU HD12 1 1
1 123 1 1 9 LEU HD13 H -5.973 -7.643 -2.629 1.00 . A A . 9 LEU HD13 1 1
1 124 1 1 9 LEU HD21 H -4.648 -5.785 -3.621 1.00 . A A . 9 LEU HD21 1 1
1 125 1 1 9 LEU HD22 H -5.931 -4.561 -3.462 1.00 . A A . 9 LEU HD22 1 1
1 126 1 1 9 LEU HD23 H -4.326 -4.290 -2.739 1.00 . A A . 9 LEU HD23 1 1
1 127 1 1 9 LEU HG H -4.680 -6.158 -1.123 1.00 . A A . 9 LEU HG 1 1
1 128 1 1 9 LEU N N -6.323 -3.092 1.195 1.00 . A A . 9 LEU N 1 1
1 129 1 1 9 LEU O O -6.102 -2.123 -1.916 1.00 . A A . 9 LEU O 1 1
1 130 1 1 10 ILE C C -2.213 -0.547 -1.668 1.00 . A A . 10 ILE C 1 1
1 131 1 1 10 ILE CA C -3.777 -0.478 -1.584 1.00 . A A . 10 ILE CA 1 1
1 132 1 1 10 ILE CB C -4.371 0.899 -1.088 1.00 . A A . 10 ILE CB 1 1
1 133 1 1 10 ILE CD1 C -3.101 1.427 1.164 1.00 . A A . 10 ILE CD1 1 1
1 134 1 1 10 ILE CG1 C -4.437 1.197 0.445 1.00 . A A . 10 ILE CG1 1 1
1 135 1 1 10 ILE CG2 C -5.776 1.145 -1.691 1.00 . A A . 10 ILE CG2 1 1
1 136 1 1 10 ILE H H -3.715 -1.889 0.097 1.00 . A A . 10 ILE H 1 1
1 137 1 1 10 ILE HA H -4.123 -0.622 -2.628 1.00 . A A . 10 ILE HA 1 1
1 138 1 1 10 ILE HB H -3.732 1.680 -1.529 1.00 . A A . 10 ILE HB 1 1
1 139 1 1 10 ILE HD11 H -3.260 1.737 2.213 1.00 . A A . 10 ILE HD11 1 1
1 140 1 1 10 ILE HD12 H -2.480 0.514 1.191 1.00 . A A . 10 ILE HD12 1 1
1 141 1 1 10 ILE HD13 H -2.505 2.225 0.681 1.00 . A A . 10 ILE HD13 1 1
1 142 1 1 10 ILE HG12 H -5.040 2.109 0.618 1.00 . A A . 10 ILE HG12 1 1
1 143 1 1 10 ILE HG13 H -4.991 0.394 0.966 1.00 . A A . 10 ILE HG13 1 1
1 144 1 1 10 ILE HG21 H -6.138 2.171 -1.490 1.00 . A A . 10 ILE HG21 1 1
1 145 1 1 10 ILE HG22 H -5.781 1.025 -2.791 1.00 . A A . 10 ILE HG22 1 1
1 146 1 1 10 ILE HG23 H -6.531 0.447 -1.284 1.00 . A A . 10 ILE HG23 1 1
1 147 1 1 10 ILE N N -4.218 -1.637 -0.757 1.00 . A A . 10 ILE N 1 1
1 148 1 1 10 ILE O O -1.504 0.352 -1.206 1.00 . A A . 10 ILE O 1 1
1 149 1 1 11 . C C 0.127 -3.279 -1.947 1.00 . A A . 11 SET C 1 1
1 150 1 1 11 . CA C -0.195 -1.825 -2.427 1.00 . A A . 11 SET CA 1 1
1 151 1 1 11 . CB C 0.366 -1.474 -3.843 1.00 . A A . 11 SET CB 1 1
1 152 1 1 11 . H H -2.343 -2.319 -2.610 1.00 . A A . 11 SET H 1 1
1 153 1 1 11 . HA H 0.355 -1.179 -1.708 1.00 . A A . 11 SET HA 1 1
1 154 1 1 11 . HB2 H -0.428 -4.015 -2.560 1.00 . A A . 11 SET HB2 1 1
1 155 1 1 11 . HB3 H 1.193 -3.515 -2.135 1.00 . A A . 11 SET HB3 1 1
1 156 1 1 11 . HNT2 H -1.181 -3.527 -0.202 1.00 . A A . 11 SET HNT2 1 1
1 157 1 1 11 . N N -1.670 -1.604 -2.315 1.00 . A A . 11 SET N 1 1
1 158 1 1 11 . NT N -0.204 -3.504 -0.512 1.00 . A A . 11 SET NT 1 1
1 159 1 1 11 . OG O 0.982 -2.316 -4.505 1.00 . A A . 11 SET OG 1 1
1 160 1 1 12 THR C C 1.461 1.594 -5.301 1.00 . A A . 12 THR C 1 1
1 161 1 1 12 THR CA C 0.669 0.275 -5.616 1.00 . A A . 12 THR CA 1 1
1 162 1 1 12 THR CB C -0.528 0.438 -6.606 1.00 . A A . 12 THR CB 1 1
1 163 1 1 12 THR CG2 C -0.117 0.866 -8.027 1.00 . A A . 12 THR CG2 1 1
1 164 1 1 12 THR H H -0.458 0.372 -3.737 1.00 . A A . 12 THR H 1 1
1 165 1 1 12 THR HA H 1.342 -0.466 -6.100 1.00 . A A . 12 THR HA 1 1
1 166 1 1 12 THR HB H -1.237 1.190 -6.208 1.00 . A A . 12 THR HB 1 1
1 167 1 1 12 THR HG1 H -1.393 -1.109 -5.854 1.00 . A A . 12 THR HG1 1 1
1 168 1 1 12 THR HG21 H 0.577 0.140 -8.489 1.00 . A A . 12 THR HG21 1 1
1 169 1 1 12 THR HG22 H -0.997 0.945 -8.691 1.00 . A A . 12 THR HG22 1 1
1 170 1 1 12 THR HG23 H 0.382 1.852 -8.036 1.00 . A A . 12 THR HG23 1 1
1 171 1 1 12 THR N N 0.169 -0.216 -4.299 1.00 . A A . 12 THR N 1 1
1 172 1 1 12 THR O O 0.971 2.692 -5.582 1.00 . A A . 12 THR O 1 1
1 173 1 1 12 THR OG1 O -1.224 -0.798 -6.746 1.00 . A A . 12 THR OG1 1 1
1 174 1 1 13 THR C C 4.988 2.296 -4.530 1.00 . A A . 13 THR C 1 1
1 175 1 1 13 THR CA C 3.494 2.690 -4.324 1.00 . A A . 13 THR CA 1 1
1 176 1 1 13 THR CB C 3.174 3.141 -2.861 1.00 . A A . 13 THR CB 1 1
1 177 1 1 13 THR CG2 C 4.013 4.319 -2.340 1.00 . A A . 13 THR CG2 1 1
1 178 1 1 13 THR H H 2.954 0.579 -4.344 1.00 . A A . 13 THR H 1 1
1 179 1 1 13 THR HA H 3.244 3.537 -4.995 1.00 . A A . 13 THR HA 1 1
1 180 1 1 13 THR HB H 3.324 2.289 -2.171 1.00 . A A . 13 THR HB 1 1
1 181 1 1 13 THR HG1 H 1.304 2.887 -3.247 1.00 . A A . 13 THR HG1 1 1
1 182 1 1 13 THR HG21 H 3.717 4.599 -1.312 1.00 . A A . 13 THR HG21 1 1
1 183 1 1 13 THR HG22 H 5.090 4.069 -2.305 1.00 . A A . 13 THR HG22 1 1
1 184 1 1 13 THR HG23 H 3.900 5.218 -2.973 1.00 . A A . 13 THR HG23 1 1
1 185 1 1 13 THR N N 2.668 1.503 -4.688 1.00 . A A . 13 THR N 1 1
1 186 1 1 13 THR O O 5.464 1.299 -3.977 1.00 . A A . 13 THR O 1 1
1 187 1 1 13 THR OG1 O 1.811 3.545 -2.765 1.00 . A A . 13 THR OG1 1 1
1 188 1 1 14 ALA C C 8.026 3.884 -4.826 1.00 . A A . 14 ALA C 1 1
1 189 1 1 14 ALA CA C 7.153 2.884 -5.615 1.00 . A A . 14 ALA CA 1 1
1 190 1 1 14 ALA CB C 7.376 3.027 -7.131 1.00 . A A . 14 ALA CB 1 1
1 191 1 1 14 ALA H H 5.204 3.907 -5.708 1.00 . A A . 14 ALA H 1 1
1 192 1 1 14 ALA HXT H 9.538 3.890 -3.619 1.00 . A A . 14 ALA HXT 1 1
1 193 1 1 14 ALA HA H 7.455 1.853 -5.340 1.00 . A A . 14 ALA HA 1 1
1 194 1 1 14 ALA HB1 H 6.775 2.296 -7.704 1.00 . A A . 14 ALA HB1 1 1
1 195 1 1 14 ALA HB2 H 7.111 4.035 -7.505 1.00 . A A . 14 ALA HB2 1 1
1 196 1 1 14 ALA HB3 H 8.434 2.848 -7.403 1.00 . A A . 14 ALA HB3 1 1
1 197 1 1 14 ALA N N 5.715 3.107 -5.321 1.00 . A A . 14 ALA N 1 1
1 198 1 1 14 ALA O O 7.864 5.105 -4.839 1.00 . A A . 14 ALA O 1 1
1 199 1 1 14 ALA OXT O 9.015 3.257 -4.116 1.00 . A A . 14 ALA OXT 1 1
2 200 1 1 1 ACE C C 5.625 0.366 -1.631 1.00 . A A . 1 ACE C 1 1
2 201 1 1 1 ACE CH3 C 6.850 0.718 -2.470 1.00 . A A . 1 ACE CH3 1 1
2 202 1 1 1 ACE H1 H 7.530 -0.143 -2.614 1.00 . A A . 1 ACE H1 1 1
2 203 1 1 1 ACE H2 H 6.551 1.065 -3.476 1.00 . A A . 1 ACE H2 1 1
2 204 1 1 1 ACE H3 H 7.425 1.535 -1.997 1.00 . A A . 1 ACE H3 1 1
2 205 1 1 1 ACE O O 4.526 0.860 -1.892 1.00 . A A . 1 ACE O 1 1
2 206 1 1 2 ILE C C 4.732 0.045 1.523 1.00 . A A . 2 ILE C 1 1
2 207 1 1 2 ILE CA C 4.758 -0.932 0.310 1.00 . A A . 2 ILE CA 1 1
2 208 1 1 2 ILE CB C 4.863 -2.450 0.706 1.00 . A A . 2 ILE CB 1 1
2 209 1 1 2 ILE CD1 C 5.955 -3.149 2.960 1.00 . A A . 2 ILE CD1 1 1
2 210 1 1 2 ILE CG1 C 6.160 -2.899 1.457 1.00 . A A . 2 ILE CG1 1 1
2 211 1 1 2 ILE CG2 C 4.579 -3.394 -0.488 1.00 . A A . 2 ILE CG2 1 1
2 212 1 1 2 ILE H H 6.821 -0.736 -0.461 1.00 . A A . 2 ILE H 1 1
2 213 1 1 2 ILE HA H 3.784 -0.846 -0.216 1.00 . A A . 2 ILE HA 1 1
2 214 1 1 2 ILE HB H 4.008 -2.626 1.383 1.00 . A A . 2 ILE HB 1 1
2 215 1 1 2 ILE HD11 H 6.902 -3.440 3.449 1.00 . A A . 2 ILE HD11 1 1
2 216 1 1 2 ILE HD12 H 5.580 -2.251 3.484 1.00 . A A . 2 ILE HD12 1 1
2 217 1 1 2 ILE HD13 H 5.227 -3.962 3.139 1.00 . A A . 2 ILE HD13 1 1
2 218 1 1 2 ILE HG12 H 6.581 -3.825 1.021 1.00 . A A . 2 ILE HG12 1 1
2 219 1 1 2 ILE HG13 H 6.965 -2.152 1.325 1.00 . A A . 2 ILE HG13 1 1
2 220 1 1 2 ILE HG21 H 5.344 -3.316 -1.282 1.00 . A A . 2 ILE HG21 1 1
2 221 1 1 2 ILE HG22 H 4.537 -4.454 -0.173 1.00 . A A . 2 ILE HG22 1 1
2 222 1 1 2 ILE HG23 H 3.601 -3.175 -0.951 1.00 . A A . 2 ILE HG23 1 1
2 223 1 1 2 ILE N N 5.839 -0.485 -0.617 1.00 . A A . 2 ILE N 1 1
2 224 1 1 2 ILE O O 5.647 0.046 2.352 1.00 . A A . 2 ILE O 1 1
2 225 1 1 3 TRP C C 2.067 1.816 3.174 1.00 . A A . 3 TRP C 1 1
2 226 1 1 3 TRP CA C 3.537 1.898 2.686 1.00 . A A . 3 TRP CA 1 1
2 227 1 1 3 TRP CB C 3.898 3.340 2.228 1.00 . A A . 3 TRP CB 1 1
2 228 1 1 3 TRP CD1 C 6.528 3.124 2.204 1.00 . A A . 3 TRP CD1 1 1
2 229 1 1 3 TRP CD2 C 5.658 4.216 0.471 1.00 . A A . 3 TRP CD2 1 1
2 230 1 1 3 TRP CE2 C 7.067 4.133 0.326 1.00 . A A . 3 TRP CE2 1 1
2 231 1 1 3 TRP CE3 C 4.877 4.891 -0.503 1.00 . A A . 3 TRP CE3 1 1
2 232 1 1 3 TRP CG C 5.308 3.571 1.647 1.00 . A A . 3 TRP CG 1 1
2 233 1 1 3 TRP CH2 C 6.918 5.379 -1.740 1.00 . A A . 3 TRP CH2 1 1
2 234 1 1 3 TRP CZ2 C 7.702 4.717 -0.795 1.00 . A A . 3 TRP CZ2 1 1
2 235 1 1 3 TRP CZ3 C 5.529 5.472 -1.592 1.00 . A A . 3 TRP CZ3 1 1
2 236 1 1 3 TRP H H 2.981 0.768 0.870 1.00 . A A . 3 TRP H 1 1
2 237 1 1 3 TRP HA H 4.226 1.662 3.523 1.00 . A A . 3 TRP HA 1 1
2 238 1 1 3 TRP HB2 H 3.141 3.681 1.499 1.00 . A A . 3 TRP HB2 1 1
2 239 1 1 3 TRP HB3 H 3.774 4.013 3.098 1.00 . A A . 3 TRP HB3 1 1
2 240 1 1 3 TRP HD1 H 6.604 2.547 3.114 1.00 . A A . 3 TRP HD1 1 1
2 241 1 1 3 TRP HE1 H 8.620 3.236 1.551 1.00 . A A . 3 TRP HE1 1 1
2 242 1 1 3 TRP HE3 H 3.804 4.965 -0.408 1.00 . A A . 3 TRP HE3 1 1
2 243 1 1 3 TRP HH2 H 7.391 5.829 -2.601 1.00 . A A . 3 TRP HH2 1 1
2 244 1 1 3 TRP HZ2 H 8.774 4.657 -0.918 1.00 . A A . 3 TRP HZ2 1 1
2 245 1 1 3 TRP HZ3 H 4.951 5.991 -2.342 1.00 . A A . 3 TRP HZ3 1 1
2 246 1 1 3 TRP N N 3.692 0.895 1.596 1.00 . A A . 3 TRP N 1 1
2 247 1 1 3 TRP NE1 N 7.630 3.454 1.394 1.00 . A A . 3 TRP NE1 1 1
2 248 1 1 3 TRP O O 1.145 2.249 2.475 1.00 . A A . 3 TRP O 1 1
2 249 1 1 4 GLY C C -0.346 -0.044 4.309 1.00 . A A . 4 GLY C 1 1
2 250 1 1 4 GLY CA C 0.499 1.083 4.959 1.00 . A A . 4 GLY CA 1 1
2 251 1 1 4 GLY H H 2.713 1.010 4.879 1.00 . A A . 4 GLY H 1 1
2 252 1 1 4 GLY HA2 H 0.591 0.902 6.046 1.00 . A A . 4 GLY HA2 1 1
2 253 1 1 4 GLY HA3 H -0.053 2.045 4.896 1.00 . A A . 4 GLY HA3 1 1
2 254 1 1 4 GLY N N 1.856 1.251 4.374 1.00 . A A . 4 GLY N 1 1
2 255 1 1 4 GLY O O -1.441 0.246 3.819 1.00 . A A . 4 GLY O 1 1
2 256 1 1 5 GLU C C -1.098 -3.425 4.808 1.00 . A A . 5 GLU C 1 1
2 257 1 1 5 GLU CA C -0.590 -2.457 3.701 1.00 . A A . 5 GLU CA 1 1
2 258 1 1 5 GLU CB C 0.340 -3.075 2.619 1.00 . A A . 5 GLU CB 1 1
2 259 1 1 5 GLU CD C 0.586 -4.402 0.454 1.00 . A A . 5 GLU CD 1 1
2 260 1 1 5 GLU CG C -0.247 -4.209 1.740 1.00 . A A . 5 GLU CG 1 1
2 261 1 1 5 GLU H H 1.019 -1.444 4.830 1.00 . A A . 5 GLU H 1 1
2 262 1 1 5 GLU HA H -1.481 -2.098 3.144 1.00 . A A . 5 GLU HA 1 1
2 263 1 1 5 GLU HB2 H 0.653 -2.255 1.941 1.00 . A A . 5 GLU HB2 1 1
2 264 1 1 5 GLU HB3 H 1.275 -3.446 3.081 1.00 . A A . 5 GLU HB3 1 1
2 265 1 1 5 GLU HG2 H -0.265 -5.157 2.308 1.00 . A A . 5 GLU HG2 1 1
2 266 1 1 5 GLU HG3 H -1.308 -3.990 1.505 1.00 . A A . 5 GLU HG3 1 1
2 267 1 1 5 GLU N N 0.138 -1.306 4.317 1.00 . A A . 5 GLU N 1 1
2 268 1 1 5 GLU O O -0.539 -4.500 5.044 1.00 . A A . 5 GLU O 1 1
2 269 1 1 5 GLU OE1 O 1.776 -4.716 0.519 1.00 . A A . 5 GLU OE1 1 1
2 270 1 1 6 SER C C -4.290 -3.214 6.617 1.00 . A A . 6 SER C 1 1
2 271 1 1 6 SER CA C -2.836 -3.757 6.581 1.00 . A A . 6 SER CA 1 1
2 272 1 1 6 SER CB C -2.106 -3.605 7.939 1.00 . A A . 6 SER CB 1 1
2 273 1 1 6 SER H H -2.510 -2.068 5.204 1.00 . A A . 6 SER H 1 1
2 274 1 1 6 SER HA H -2.854 -4.837 6.328 1.00 . A A . 6 SER HA 1 1
2 275 1 1 6 SER HB2 H -1.942 -2.540 8.190 1.00 . A A . 6 SER HB2 1 1
2 276 1 1 6 SER HB3 H -2.725 -4.017 8.759 1.00 . A A . 6 SER HB3 1 1
2 277 1 1 6 SER HG H -0.452 -4.097 7.081 1.00 . A A . 6 SER HG 1 1
2 278 1 1 6 SER N N -2.172 -2.993 5.493 1.00 . A A . 6 SER N 1 1
2 279 1 1 6 SER O O -4.587 -2.229 7.303 1.00 . A A . 6 SER O 1 1
2 280 1 1 6 SER OG O -0.859 -4.292 7.930 1.00 . A A . 6 SER OG 1 1
2 281 1 1 7 GLY C C -6.857 -2.792 4.357 1.00 . A A . 7 GLY C 1 1
2 282 1 1 7 GLY CA C -6.604 -3.430 5.736 1.00 . A A . 7 GLY CA 1 1
2 283 1 1 7 GLY H H -4.769 -4.562 5.224 1.00 . A A . 7 GLY H 1 1
2 284 1 1 7 GLY HA2 H -7.253 -4.318 5.853 1.00 . A A . 7 GLY HA2 1 1
2 285 1 1 7 GLY HA3 H -6.912 -2.741 6.547 1.00 . A A . 7 GLY HA3 1 1
2 286 1 1 7 GLY N N -5.185 -3.857 5.846 1.00 . A A . 7 GLY N 1 1
2 287 1 1 7 GLY O O -7.484 -3.415 3.495 1.00 . A A . 7 GLY O 1 1
2 288 1 1 8 LYS C C -5.412 -1.394 1.885 1.00 . A A . 8 LYS C 1 1
2 289 1 1 8 LYS CA C -6.488 -0.827 2.863 1.00 . A A . 8 LYS CA 1 1
2 290 1 1 8 LYS CB C -6.322 0.696 3.114 1.00 . A A . 8 LYS CB 1 1
2 291 1 1 8 LYS CD C -6.357 3.078 2.144 1.00 . A A . 8 LYS CD 1 1
2 292 1 1 8 LYS CE C -6.641 3.949 0.907 1.00 . A A . 8 LYS CE 1 1
2 293 1 1 8 LYS CG C -6.629 1.583 1.886 1.00 . A A . 8 LYS CG 1 1
2 294 1 1 8 LYS H H -5.840 -1.166 4.950 1.00 . A A . 8 LYS H 1 1
2 295 1 1 8 LYS HA H -7.510 -0.990 2.462 1.00 . A A . 8 LYS HA 1 1
2 296 1 1 8 LYS HB2 H -6.990 1.009 3.941 1.00 . A A . 8 LYS HB2 1 1
2 297 1 1 8 LYS HB3 H -5.296 0.904 3.477 1.00 . A A . 8 LYS HB3 1 1
2 298 1 1 8 LYS HD2 H -6.972 3.421 3.000 1.00 . A A . 8 LYS HD2 1 1
2 299 1 1 8 LYS HD3 H -5.302 3.206 2.459 1.00 . A A . 8 LYS HD3 1 1
2 300 1 1 8 LYS HE2 H -6.029 3.609 0.049 1.00 . A A . 8 LYS HE2 1 1
2 301 1 1 8 LYS HE3 H -7.697 3.838 0.592 1.00 . A A . 8 LYS HE3 1 1
2 302 1 1 8 LYS HG2 H -6.024 1.247 1.022 1.00 . A A . 8 LYS HG2 1 1
2 303 1 1 8 LYS HG3 H -7.684 1.439 1.583 1.00 . A A . 8 LYS HG3 1 1
2 304 1 1 8 LYS HZ1 H -6.927 5.734 1.954 1.00 . A A . 8 LYS HZ1 1 1
2 305 1 1 8 LYS HZ2 H -5.374 5.520 1.449 1.00 . A A . 8 LYS HZ2 1 1
2 306 1 1 8 LYS HZ3 H -6.538 5.970 0.369 1.00 . A A . 8 LYS HZ3 1 1
2 307 1 1 8 LYS N N -6.363 -1.552 4.156 1.00 . A A . 8 LYS N 1 1
2 308 1 1 8 LYS NZ N -6.355 5.372 1.183 1.00 . A A . 8 LYS NZ 1 1
2 309 1 1 8 LYS O O -4.208 -1.305 2.155 1.00 . A A . 8 LYS O 1 1
2 310 1 1 9 LEU C C -4.362 -1.517 -1.230 1.00 . A A . 9 LEU C 1 1
2 311 1 1 9 LEU CA C -4.954 -2.580 -0.255 1.00 . A A . 9 LEU CA 1 1
2 312 1 1 9 LEU CB C -5.727 -3.744 -0.962 1.00 . A A . 9 LEU CB 1 1
2 313 1 1 9 LEU CD1 C -5.918 -5.935 -2.227 1.00 . A A . 9 LEU CD1 1 1
2 314 1 1 9 LEU CD2 C -4.128 -4.337 -2.953 1.00 . A A . 9 LEU CD2 1 1
2 315 1 1 9 LEU CG C -4.939 -4.846 -1.743 1.00 . A A . 9 LEU CG 1 1
2 316 1 1 9 LEU H H -6.883 -1.997 0.655 1.00 . A A . 9 LEU H 1 1
2 317 1 1 9 LEU HA H -4.117 -3.047 0.306 1.00 . A A . 9 LEU HA 1 1
2 318 1 1 9 LEU HB2 H -6.312 -4.282 -0.189 1.00 . A A . 9 LEU HB2 1 1
2 319 1 1 9 LEU HB3 H -6.499 -3.309 -1.628 1.00 . A A . 9 LEU HB3 1 1
2 320 1 1 9 LEU HD11 H -6.477 -6.387 -1.386 1.00 . A A . 9 LEU HD11 1 1
2 321 1 1 9 LEU HD12 H -6.666 -5.539 -2.940 1.00 . A A . 9 LEU HD12 1 1
2 322 1 1 9 LEU HD13 H -5.392 -6.766 -2.734 1.00 . A A . 9 LEU HD13 1 1
2 323 1 1 9 LEU HD21 H -3.652 -5.167 -3.510 1.00 . A A . 9 LEU HD21 1 1
2 324 1 1 9 LEU HD22 H -4.757 -3.781 -3.673 1.00 . A A . 9 LEU HD22 1 1
2 325 1 1 9 LEU HD23 H -3.306 -3.667 -2.645 1.00 . A A . 9 LEU HD23 1 1
2 326 1 1 9 LEU HG H -4.234 -5.355 -1.058 1.00 . A A . 9 LEU HG 1 1
2 327 1 1 9 LEU N N -5.863 -1.965 0.751 1.00 . A A . 9 LEU N 1 1
2 328 1 1 9 LEU O O -4.916 -1.235 -2.298 1.00 . A A . 9 LEU O 1 1
2 329 1 1 10 ILE C C -0.944 -0.327 -1.539 1.00 . A A . 10 ILE C 1 1
2 330 1 1 10 ILE CA C -2.461 0.071 -1.623 1.00 . A A . 10 ILE CA 1 1
2 331 1 1 10 ILE CB C -2.817 1.560 -1.252 1.00 . A A . 10 ILE CB 1 1
2 332 1 1 10 ILE CD1 C -1.593 1.992 1.026 1.00 . A A . 10 ILE CD1 1 1
2 333 1 1 10 ILE CG1 C -2.915 1.961 0.254 1.00 . A A . 10 ILE CG1 1 1
2 334 1 1 10 ILE CG2 C -4.116 2.012 -1.964 1.00 . A A . 10 ILE CG2 1 1
2 335 1 1 10 ILE H H -2.941 -1.160 0.133 1.00 . A A . 10 ILE H 1 1
2 336 1 1 10 ILE HA H -2.710 -0.049 -2.698 1.00 . A A . 10 ILE HA 1 1
2 337 1 1 10 ILE HB H -2.018 2.178 -1.691 1.00 . A A . 10 ILE HB 1 1
2 338 1 1 10 ILE HD11 H -1.729 2.410 2.040 1.00 . A A . 10 ILE HD11 1 1
2 339 1 1 10 ILE HD12 H -1.165 0.981 1.155 1.00 . A A . 10 ILE HD12 1 1
2 340 1 1 10 ILE HD13 H -0.833 2.614 0.517 1.00 . A A . 10 ILE HD13 1 1
2 341 1 1 10 ILE HG12 H -3.350 2.975 0.340 1.00 . A A . 10 ILE HG12 1 1
2 342 1 1 10 ILE HG13 H -3.629 1.302 0.783 1.00 . A A . 10 ILE HG13 1 1
2 343 1 1 10 ILE HG21 H -4.298 3.096 -1.842 1.00 . A A . 10 ILE HG21 1 1
2 344 1 1 10 ILE HG22 H -4.074 1.825 -3.054 1.00 . A A . 10 ILE HG22 1 1
2 345 1 1 10 ILE HG23 H -5.007 1.483 -1.578 1.00 . A A . 10 ILE HG23 1 1
2 346 1 1 10 ILE N N -3.224 -0.933 -0.824 1.00 . A A . 10 ILE N 1 1
2 347 1 1 10 ILE O O -0.088 0.438 -1.087 1.00 . A A . 10 ILE O 1 1
2 348 1 1 11 . C C 0.690 -3.659 -1.912 1.00 . A A . 11 SET C 1 1
2 349 1 1 11 . CA C 0.774 -2.102 -2.005 1.00 . A A . 11 SET CA 1 1
2 350 1 1 11 . CB C 1.748 -1.610 -3.121 1.00 . A A . 11 SET CB 1 1
2 351 1 1 11 . H H -1.412 -2.112 -2.320 1.00 . A A . 11 SET H 1 1
2 352 1 1 11 . HA H 1.247 -1.771 -1.057 1.00 . A A . 11 SET HA 1 1
2 353 1 1 11 . HB2 H 0.176 -4.063 -2.805 1.00 . A A . 11 SET HB2 1 1
2 354 1 1 11 . HB3 H 1.703 -4.106 -1.953 1.00 . A A . 11 SET HB3 1 1
2 355 1 1 11 . HNT2 H -1.020 -3.852 -0.559 1.00 . A A . 11 SET HNT2 1 1
2 356 1 1 11 . N N -0.610 -1.535 -2.042 1.00 . A A . 11 SET N 1 1
2 357 1 1 11 . NT N -0.040 -4.119 -0.696 1.00 . A A . 11 SET NT 1 1
2 358 1 1 11 . OG O 2.959 -1.601 -2.884 1.00 . A A . 11 SET OG 1 1
2 359 1 1 12 THR C C 2.002 0.869 -5.375 1.00 . A A . 12 THR C 1 1
2 360 1 1 12 THR CA C 2.109 -0.700 -5.423 1.00 . A A . 12 THR CA 1 1
2 361 1 1 12 THR CB C 1.653 -1.352 -6.767 1.00 . A A . 12 THR CB 1 1
2 362 1 1 12 THR CG2 C 2.517 -0.963 -7.980 1.00 . A A . 12 THR CG2 1 1
2 363 1 1 12 THR H H 0.234 -1.120 -4.328 1.00 . A A . 12 THR H 1 1
2 364 1 1 12 THR HA H 3.163 -1.031 -5.304 1.00 . A A . 12 THR HA 1 1
2 365 1 1 12 THR HB H 0.605 -1.066 -6.981 1.00 . A A . 12 THR HB 1 1
2 366 1 1 12 THR HG1 H 1.234 -3.006 -5.873 1.00 . A A . 12 THR HG1 1 1
2 367 1 1 12 THR HG21 H 3.576 -1.244 -7.837 1.00 . A A . 12 THR HG21 1 1
2 368 1 1 12 THR HG22 H 2.166 -1.467 -8.899 1.00 . A A . 12 THR HG22 1 1
2 369 1 1 12 THR HG23 H 2.487 0.124 -8.180 1.00 . A A . 12 THR HG23 1 1
2 370 1 1 12 THR N N 1.255 -1.215 -4.313 1.00 . A A . 12 THR N 1 1
2 371 1 1 12 THR O O 1.290 1.459 -6.194 1.00 . A A . 12 THR O 1 1
2 372 1 1 12 THR OG1 O 1.715 -2.774 -6.671 1.00 . A A . 12 THR OG1 1 1
2 373 1 1 13 THR C C 4.078 3.581 -4.444 1.00 . A A . 13 THR C 1 1
2 374 1 1 13 THR CA C 2.632 3.031 -4.271 1.00 . A A . 13 THR CA 1 1
2 375 1 1 13 THR CB C 1.993 3.434 -2.902 1.00 . A A . 13 THR CB 1 1
2 376 1 1 13 THR CG2 C 1.715 4.941 -2.761 1.00 . A A . 13 THR CG2 1 1
2 377 1 1 13 THR H H 3.152 0.988 -3.691 1.00 . A A . 13 THR H 1 1
2 378 1 1 13 THR HA H 1.979 3.465 -5.056 1.00 . A A . 13 THR HA 1 1
2 379 1 1 13 THR HB H 2.658 3.134 -2.068 1.00 . A A . 13 THR HB 1 1
2 380 1 1 13 THR HG1 H 0.480 2.938 -1.815 1.00 . A A . 13 THR HG1 1 1
2 381 1 1 13 THR HG21 H 1.272 5.178 -1.776 1.00 . A A . 13 THR HG21 1 1
2 382 1 1 13 THR HG22 H 2.638 5.542 -2.851 1.00 . A A . 13 THR HG22 1 1
2 383 1 1 13 THR HG23 H 1.011 5.303 -3.534 1.00 . A A . 13 THR HG23 1 1
2 384 1 1 13 THR N N 2.683 1.546 -4.416 1.00 . A A . 13 THR N 1 1
2 385 1 1 13 THR O O 4.990 3.203 -3.702 1.00 . A A . 13 THR O 1 1
2 386 1 1 13 THR OG1 O 0.738 2.781 -2.726 1.00 . A A . 13 THR OG1 1 1
2 387 1 1 14 ALA C C 5.432 6.642 -5.701 1.00 . A A . 14 ALA C 1 1
2 388 1 1 14 ALA CA C 5.585 5.107 -5.712 1.00 . A A . 14 ALA CA 1 1
2 389 1 1 14 ALA CB C 6.110 4.588 -7.063 1.00 . A A . 14 ALA CB 1 1
2 390 1 1 14 ALA H H 3.433 4.706 -5.975 1.00 . A A . 14 ALA H 1 1
2 391 1 1 14 ALA HXT H 5.988 8.176 -4.657 1.00 . A A . 14 ALA HXT 1 1
2 392 1 1 14 ALA HA H 6.335 4.830 -4.943 1.00 . A A . 14 ALA HA 1 1
2 393 1 1 14 ALA HB1 H 5.429 4.829 -7.902 1.00 . A A . 14 ALA HB1 1 1
2 394 1 1 14 ALA HB2 H 7.096 5.024 -7.308 1.00 . A A . 14 ALA HB2 1 1
2 395 1 1 14 ALA HB3 H 6.242 3.490 -7.053 1.00 . A A . 14 ALA HB3 1 1
2 396 1 1 14 ALA N N 4.268 4.485 -5.422 1.00 . A A . 14 ALA N 1 1
2 397 1 1 14 ALA O O 4.788 7.279 -6.536 1.00 . A A . 14 ALA O 1 1
2 398 1 1 14 ALA OXT O 6.093 7.222 -4.649 1.00 . A A . 14 ALA OXT 1 1
3 399 1 1 1 ACE C C 7.367 -1.348 -2.507 1.00 . A A . 1 ACE C 1 1
3 400 1 1 1 ACE CH3 C 8.813 -1.633 -2.898 1.00 . A A . 1 ACE CH3 1 1
3 401 1 1 1 ACE H1 H 9.087 -1.092 -3.822 1.00 . A A . 1 ACE H1 1 1
3 402 1 1 1 ACE H2 H 9.515 -1.305 -2.109 1.00 . A A . 1 ACE H2 1 1
3 403 1 1 1 ACE H3 H 8.981 -2.710 -3.084 1.00 . A A . 1 ACE H3 1 1
3 404 1 1 1 ACE O O 6.675 -0.586 -3.184 1.00 . A A . 1 ACE O 1 1
3 405 1 1 2 ILE C C 5.468 -0.521 0.009 1.00 . A A . 2 ILE C 1 1
3 406 1 1 2 ILE CA C 5.549 -1.811 -0.863 1.00 . A A . 2 ILE CA 1 1
3 407 1 1 2 ILE CB C 4.983 -3.118 -0.189 1.00 . A A . 2 ILE CB 1 1
3 408 1 1 2 ILE CD1 C 6.164 -3.265 2.171 1.00 . A A . 2 ILE CD1 1 1
3 409 1 1 2 ILE CG1 C 5.878 -3.916 0.810 1.00 . A A . 2 ILE CG1 1 1
3 410 1 1 2 ILE CG2 C 4.477 -4.105 -1.273 1.00 . A A . 2 ILE CG2 1 1
3 411 1 1 2 ILE H H 7.632 -2.568 -0.945 1.00 . A A . 2 ILE H 1 1
3 412 1 1 2 ILE HA H 4.892 -1.624 -1.733 1.00 . A A . 2 ILE HA 1 1
3 413 1 1 2 ILE HB H 4.077 -2.829 0.373 1.00 . A A . 2 ILE HB 1 1
3 414 1 1 2 ILE HD11 H 5.250 -2.847 2.631 1.00 . A A . 2 ILE HD11 1 1
3 415 1 1 2 ILE HD12 H 6.578 -4.002 2.883 1.00 . A A . 2 ILE HD12 1 1
3 416 1 1 2 ILE HD13 H 6.911 -2.456 2.093 1.00 . A A . 2 ILE HD13 1 1
3 417 1 1 2 ILE HG12 H 5.385 -4.880 1.037 1.00 . A A . 2 ILE HG12 1 1
3 418 1 1 2 ILE HG13 H 6.834 -4.196 0.330 1.00 . A A . 2 ILE HG13 1 1
3 419 1 1 2 ILE HG21 H 5.302 -4.488 -1.902 1.00 . A A . 2 ILE HG21 1 1
3 420 1 1 2 ILE HG22 H 3.966 -4.981 -0.831 1.00 . A A . 2 ILE HG22 1 1
3 421 1 1 2 ILE HG23 H 3.743 -3.632 -1.952 1.00 . A A . 2 ILE HG23 1 1
3 422 1 1 2 ILE N N 6.934 -1.971 -1.400 1.00 . A A . 2 ILE N 1 1
3 423 1 1 2 ILE O O 6.133 -0.410 1.042 1.00 . A A . 2 ILE O 1 1
3 424 1 1 3 TRP C C 3.016 2.190 0.276 1.00 . A A . 3 TRP C 1 1
3 425 1 1 3 TRP CA C 4.515 1.769 0.263 1.00 . A A . 3 TRP CA 1 1
3 426 1 1 3 TRP CB C 5.380 2.873 -0.416 1.00 . A A . 3 TRP CB 1 1
3 427 1 1 3 TRP CD1 C 7.759 2.265 0.518 1.00 . A A . 3 TRP CD1 1 1
3 428 1 1 3 TRP CD2 C 7.671 2.534 -1.688 1.00 . A A . 3 TRP CD2 1 1
3 429 1 1 3 TRP CE2 C 8.982 2.150 -1.305 1.00 . A A . 3 TRP CE2 1 1
3 430 1 1 3 TRP CE3 C 7.352 2.715 -3.059 1.00 . A A . 3 TRP CE3 1 1
3 431 1 1 3 TRP CG C 6.893 2.608 -0.542 1.00 . A A . 3 TRP CG 1 1
3 432 1 1 3 TRP CH2 C 9.646 2.134 -3.631 1.00 . A A . 3 TRP CH2 1 1
3 433 1 1 3 TRP CZ2 C 9.979 1.946 -2.288 1.00 . A A . 3 TRP CZ2 1 1
3 434 1 1 3 TRP CZ3 C 8.352 2.512 -4.010 1.00 . A A . 3 TRP CZ3 1 1
3 435 1 1 3 TRP H H 4.117 0.235 -1.272 1.00 . A A . 3 TRP H 1 1
3 436 1 1 3 TRP HA H 4.892 1.683 1.303 1.00 . A A . 3 TRP HA 1 1
3 437 1 1 3 TRP HB2 H 4.965 3.080 -1.417 1.00 . A A . 3 TRP HB2 1 1
3 438 1 1 3 TRP HB3 H 5.246 3.818 0.144 1.00 . A A . 3 TRP HB3 1 1
3 439 1 1 3 TRP HD1 H 7.429 2.116 1.535 1.00 . A A . 3 TRP HD1 1 1
3 440 1 1 3 TRP HE1 H 9.863 1.655 0.616 1.00 . A A . 3 TRP HE1 1 1
3 441 1 1 3 TRP HE3 H 6.360 2.988 -3.374 1.00 . A A . 3 TRP HE3 1 1
3 442 1 1 3 TRP HH2 H 10.397 1.977 -4.391 1.00 . A A . 3 TRP HH2 1 1
3 443 1 1 3 TRP HZ2 H 10.977 1.640 -2.009 1.00 . A A . 3 TRP HZ2 1 1
3 444 1 1 3 TRP HZ3 H 8.120 2.641 -5.057 1.00 . A A . 3 TRP HZ3 1 1
3 445 1 1 3 TRP N N 4.660 0.464 -0.434 1.00 . A A . 3 TRP N 1 1
3 446 1 1 3 TRP NE1 N 9.061 1.983 0.067 1.00 . A A . 3 TRP NE1 1 1
3 447 1 1 3 TRP O O 2.427 2.464 -0.776 1.00 . A A . 3 TRP O 1 1
3 448 1 1 4 GLY C C 0.118 1.532 2.291 1.00 . A A . 4 GLY C 1 1
3 449 1 1 4 GLY CA C 1.000 2.639 1.674 1.00 . A A . 4 GLY CA 1 1
3 450 1 1 4 GLY H H 3.021 1.955 2.253 1.00 . A A . 4 GLY H 1 1
3 451 1 1 4 GLY HA2 H 0.964 3.541 2.313 1.00 . A A . 4 GLY HA2 1 1
3 452 1 1 4 GLY HA3 H 0.537 2.978 0.723 1.00 . A A . 4 GLY HA3 1 1
3 453 1 1 4 GLY N N 2.420 2.245 1.477 1.00 . A A . 4 GLY N 1 1
3 454 1 1 4 GLY O O -0.831 1.102 1.630 1.00 . A A . 4 GLY O 1 1
3 455 1 1 5 GLU C C -1.092 0.554 5.483 1.00 . A A . 5 GLU C 1 1
3 456 1 1 5 GLU CA C -0.393 0.020 4.209 1.00 . A A . 5 GLU CA 1 1
3 457 1 1 5 GLU CB C 0.515 -1.197 4.582 1.00 . A A . 5 GLU CB 1 1
3 458 1 1 5 GLU CD C 1.158 -2.454 2.400 1.00 . A A . 5 GLU CD 1 1
3 459 1 1 5 GLU CG C 0.317 -2.441 3.692 1.00 . A A . 5 GLU CG 1 1
3 460 1 1 5 GLU H H 1.232 1.477 3.992 1.00 . A A . 5 GLU H 1 1
3 461 1 1 5 GLU HA H -1.181 -0.352 3.521 1.00 . A A . 5 GLU HA 1 1
3 462 1 1 5 GLU HB2 H 1.586 -0.921 4.640 1.00 . A A . 5 GLU HB2 1 1
3 463 1 1 5 GLU HB3 H 0.297 -1.540 5.614 1.00 . A A . 5 GLU HB3 1 1
3 464 1 1 5 GLU HG2 H 0.584 -3.325 4.299 1.00 . A A . 5 GLU HG2 1 1
3 465 1 1 5 GLU HG3 H -0.764 -2.582 3.485 1.00 . A A . 5 GLU HG3 1 1
3 466 1 1 5 GLU N N 0.397 1.089 3.539 1.00 . A A . 5 GLU N 1 1
3 467 1 1 5 GLU O O -0.425 0.915 6.459 1.00 . A A . 5 GLU O 1 1
3 468 1 1 5 GLU OE1 O 2.235 -3.055 2.369 1.00 . A A . 5 GLU OE1 1 1
3 469 1 1 6 SER C C -4.709 0.505 6.397 1.00 . A A . 6 SER C 1 1
3 470 1 1 6 SER CA C -3.255 1.006 6.626 1.00 . A A . 6 SER CA 1 1
3 471 1 1 6 SER CB C -3.217 2.535 6.902 1.00 . A A . 6 SER CB 1 1
3 472 1 1 6 SER H H -2.864 0.271 4.583 1.00 . A A . 6 SER H 1 1
3 473 1 1 6 SER HA H -2.837 0.475 7.505 1.00 . A A . 6 SER HA 1 1
3 474 1 1 6 SER HB2 H -3.428 3.109 5.979 1.00 . A A . 6 SER HB2 1 1
3 475 1 1 6 SER HB3 H -4.008 2.821 7.621 1.00 . A A . 6 SER HB3 1 1
3 476 1 1 6 SER HG H -1.292 2.453 6.960 1.00 . A A . 6 SER HG 1 1
3 477 1 1 6 SER N N -2.436 0.580 5.463 1.00 . A A . 6 SER N 1 1
3 478 1 1 6 SER O O -5.538 1.214 5.814 1.00 . A A . 6 SER O 1 1
3 479 1 1 6 SER OG O -1.966 2.942 7.443 1.00 . A A . 6 SER OG 1 1
3 480 1 1 7 GLY C C -6.544 -2.048 5.337 1.00 . A A . 7 GLY C 1 1
3 481 1 1 7 GLY CA C -6.364 -1.331 6.689 1.00 . A A . 7 GLY CA 1 1
3 482 1 1 7 GLY H H -4.211 -1.272 7.186 1.00 . A A . 7 GLY H 1 1
3 483 1 1 7 GLY HA2 H -6.516 -2.064 7.502 1.00 . A A . 7 GLY HA2 1 1
3 484 1 1 7 GLY HA3 H -7.161 -0.576 6.843 1.00 . A A . 7 GLY HA3 1 1
3 485 1 1 7 GLY N N -5.013 -0.730 6.847 1.00 . A A . 7 GLY N 1 1
3 486 1 1 7 GLY O O -6.465 -3.277 5.263 1.00 . A A . 7 GLY O 1 1
3 487 1 1 8 LYS C C -5.562 -2.066 2.275 1.00 . A A . 8 LYS C 1 1
3 488 1 1 8 LYS CA C -6.963 -1.769 2.895 1.00 . A A . 8 LYS CA 1 1
3 489 1 1 8 LYS CB C -7.758 -0.710 2.081 1.00 . A A . 8 LYS CB 1 1
3 490 1 1 8 LYS CD C -8.957 -0.062 -0.103 1.00 . A A . 8 LYS CD 1 1
3 491 1 1 8 LYS CE C -9.345 -0.432 -1.549 1.00 . A A . 8 LYS CE 1 1
3 492 1 1 8 LYS CG C -8.192 -1.161 0.667 1.00 . A A . 8 LYS CG 1 1
3 493 1 1 8 LYS H H -6.733 -0.253 4.490 1.00 . A A . 8 LYS H 1 1
3 494 1 1 8 LYS HA H -7.574 -2.694 2.934 1.00 . A A . 8 LYS HA 1 1
3 495 1 1 8 LYS HB2 H -8.670 -0.425 2.642 1.00 . A A . 8 LYS HB2 1 1
3 496 1 1 8 LYS HB3 H -7.164 0.223 2.004 1.00 . A A . 8 LYS HB3 1 1
3 497 1 1 8 LYS HD2 H -9.857 0.246 0.465 1.00 . A A . 8 LYS HD2 1 1
3 498 1 1 8 LYS HD3 H -8.323 0.844 -0.143 1.00 . A A . 8 LYS HD3 1 1
3 499 1 1 8 LYS HE2 H -9.682 0.480 -2.079 1.00 . A A . 8 LYS HE2 1 1
3 500 1 1 8 LYS HE3 H -8.455 -0.782 -2.108 1.00 . A A . 8 LYS HE3 1 1
3 501 1 1 8 LYS HG2 H -7.301 -1.460 0.081 1.00 . A A . 8 LYS HG2 1 1
3 502 1 1 8 LYS HG3 H -8.816 -2.071 0.749 1.00 . A A . 8 LYS HG3 1 1
3 503 1 1 8 LYS HZ1 H -11.271 -1.137 -1.142 1.00 . A A . 8 LYS HZ1 1 1
3 504 1 1 8 LYS HZ2 H -10.677 -1.675 -2.584 1.00 . A A . 8 LYS HZ2 1 1
3 505 1 1 8 LYS HZ3 H -10.135 -2.331 -1.171 1.00 . A A . 8 LYS HZ3 1 1
3 506 1 1 8 LYS N N -6.792 -1.256 4.279 1.00 . A A . 8 LYS N 1 1
3 507 1 1 8 LYS NZ N -10.416 -1.450 -1.617 1.00 . A A . 8 LYS NZ 1 1
3 508 1 1 8 LYS O O -4.641 -1.245 2.374 1.00 . A A . 8 LYS O 1 1
3 509 1 1 9 LEU C C -3.940 -2.998 -0.419 1.00 . A A . 9 LEU C 1 1
3 510 1 1 9 LEU CA C -4.141 -3.655 0.986 1.00 . A A . 9 LEU CA 1 1
3 511 1 1 9 LEU CB C -4.100 -5.216 0.968 1.00 . A A . 9 LEU CB 1 1
3 512 1 1 9 LEU CD1 C -1.892 -6.399 1.673 1.00 . A A . 9 LEU CD1 1 1
3 513 1 1 9 LEU CD2 C -3.044 -7.070 -0.456 1.00 . A A . 9 LEU CD2 1 1
3 514 1 1 9 LEU CG C -2.768 -5.896 0.503 1.00 . A A . 9 LEU CG 1 1
3 515 1 1 9 LEU H H -6.253 -3.838 1.619 1.00 . A A . 9 LEU H 1 1
3 516 1 1 9 LEU HA H -3.319 -3.307 1.645 1.00 . A A . 9 LEU HA 1 1
3 517 1 1 9 LEU HB2 H -4.370 -5.610 1.968 1.00 . A A . 9 LEU HB2 1 1
3 518 1 1 9 LEU HB3 H -4.937 -5.558 0.327 1.00 . A A . 9 LEU HB3 1 1
3 519 1 1 9 LEU HD11 H -1.618 -5.587 2.370 1.00 . A A . 9 LEU HD11 1 1
3 520 1 1 9 LEU HD12 H -2.395 -7.187 2.266 1.00 . A A . 9 LEU HD12 1 1
3 521 1 1 9 LEU HD13 H -0.942 -6.841 1.314 1.00 . A A . 9 LEU HD13 1 1
3 522 1 1 9 LEU HD21 H -3.606 -6.739 -1.350 1.00 . A A . 9 LEU HD21 1 1
3 523 1 1 9 LEU HD22 H -2.107 -7.529 -0.826 1.00 . A A . 9 LEU HD22 1 1
3 524 1 1 9 LEU HD23 H -3.636 -7.872 0.024 1.00 . A A . 9 LEU HD23 1 1
3 525 1 1 9 LEU HG H -2.166 -5.165 -0.070 1.00 . A A . 9 LEU HG 1 1
3 526 1 1 9 LEU N N -5.424 -3.234 1.617 1.00 . A A . 9 LEU N 1 1
3 527 1 1 9 LEU O O -4.230 -3.588 -1.465 1.00 . A A . 9 LEU O 1 1
3 528 1 1 10 ILE C C -1.722 -0.294 -1.378 1.00 . A A . 10 ILE C 1 1
3 529 1 1 10 ILE CA C -3.129 -0.944 -1.613 1.00 . A A . 10 ILE CA 1 1
3 530 1 1 10 ILE CB C -4.297 0.044 -2.002 1.00 . A A . 10 ILE CB 1 1
3 531 1 1 10 ILE CD1 C -4.232 1.981 -0.207 1.00 . A A . 10 ILE CD1 1 1
3 532 1 1 10 ILE CG1 C -5.026 0.850 -0.877 1.00 . A A . 10 ILE CG1 1 1
3 533 1 1 10 ILE CG2 C -5.369 -0.690 -2.845 1.00 . A A . 10 ILE CG2 1 1
3 534 1 1 10 ILE H H -3.331 -1.353 0.536 1.00 . A A . 10 ILE H 1 1
3 535 1 1 10 ILE HA H -2.981 -1.619 -2.482 1.00 . A A . 10 ILE HA 1 1
3 536 1 1 10 ILE HB H -3.854 0.788 -2.685 1.00 . A A . 10 ILE HB 1 1
3 537 1 1 10 ILE HD11 H -4.871 2.556 0.489 1.00 . A A . 10 ILE HD11 1 1
3 538 1 1 10 ILE HD12 H -3.379 1.599 0.380 1.00 . A A . 10 ILE HD12 1 1
3 539 1 1 10 ILE HD13 H -3.839 2.701 -0.949 1.00 . A A . 10 ILE HD13 1 1
3 540 1 1 10 ILE HG12 H -5.936 1.323 -1.294 1.00 . A A . 10 ILE HG12 1 1
3 541 1 1 10 ILE HG13 H -5.404 0.163 -0.098 1.00 . A A . 10 ILE HG13 1 1
3 542 1 1 10 ILE HG21 H -6.127 0.006 -3.249 1.00 . A A . 10 ILE HG21 1 1
3 543 1 1 10 ILE HG22 H -4.925 -1.205 -3.718 1.00 . A A . 10 ILE HG22 1 1
3 544 1 1 10 ILE HG23 H -5.907 -1.456 -2.255 1.00 . A A . 10 ILE HG23 1 1
3 545 1 1 10 ILE N N -3.438 -1.754 -0.400 1.00 . A A . 10 ILE N 1 1
3 546 1 1 10 ILE O O -1.567 0.931 -1.362 1.00 . A A . 10 ILE O 1 1
3 547 1 1 11 . C C 1.363 -1.677 0.055 1.00 . A A . 11 SET C 1 1
3 548 1 1 11 . CA C 0.718 -0.695 -0.972 1.00 . A A . 11 SET CA 1 1
3 549 1 1 11 . CB C 1.566 -0.550 -2.279 1.00 . A A . 11 SET CB 1 1
3 550 1 1 11 . H H -0.930 -2.132 -1.229 1.00 . A A . 11 SET H 1 1
3 551 1 1 11 . HA H 0.710 0.280 -0.440 1.00 . A A . 11 SET HA 1 1
3 552 1 1 11 . HB2 H 1.465 -2.687 -0.390 1.00 . A A . 11 SET HB2 1 1
3 553 1 1 11 . HB3 H 2.398 -1.335 0.249 1.00 . A A . 11 SET HB3 1 1
3 554 1 1 11 . HNT2 H -0.245 -1.330 1.530 1.00 . A A . 11 SET HNT2 1 1
3 555 1 1 11 . N N -0.674 -1.140 -1.257 1.00 . A A . 11 SET N 1 1
3 556 1 1 11 . NT N 0.657 -1.784 1.356 1.00 . A A . 11 SET NT 1 1
3 557 1 1 11 . OG O 2.488 -1.340 -2.510 1.00 . A A . 11 SET OG 1 1
3 558 1 1 12 THR C C 3.061 1.833 -4.141 1.00 . A A . 12 THR C 1 1
3 559 1 1 12 THR CA C 2.033 0.689 -4.401 1.00 . A A . 12 THR CA 1 1
3 560 1 1 12 THR CB C 1.044 0.867 -5.597 1.00 . A A . 12 THR CB 1 1
3 561 1 1 12 THR CG2 C 1.731 1.057 -6.961 1.00 . A A . 12 THR CG2 1 1
3 562 1 1 12 THR H H 0.415 0.985 -2.957 1.00 . A A . 12 THR H 1 1
3 563 1 1 12 THR HA H 2.633 -0.209 -4.652 1.00 . A A . 12 THR HA 1 1
3 564 1 1 12 THR HB H 0.394 1.744 -5.412 1.00 . A A . 12 THR HB 1 1
3 565 1 1 12 THR HG1 H -0.141 -0.449 -4.839 1.00 . A A . 12 THR HG1 1 1
3 566 1 1 12 THR HG21 H 2.386 0.202 -7.212 1.00 . A A . 12 THR HG21 1 1
3 567 1 1 12 THR HG22 H 0.988 1.150 -7.774 1.00 . A A . 12 THR HG22 1 1
3 568 1 1 12 THR HG23 H 2.354 1.970 -6.988 1.00 . A A . 12 THR HG23 1 1
3 569 1 1 12 THR N N 1.276 0.456 -3.137 1.00 . A A . 12 THR N 1 1
3 570 1 1 12 THR O O 4.226 1.532 -3.866 1.00 . A A . 12 THR O 1 1
3 571 1 1 12 THR OG1 O 0.212 -0.284 -5.716 1.00 . A A . 12 THR OG1 1 1
3 572 1 1 13 THR C C 2.715 5.350 -3.215 1.00 . A A . 13 THR C 1 1
3 573 1 1 13 THR CA C 3.541 4.283 -3.990 1.00 . A A . 13 THR CA 1 1
3 574 1 1 13 THR CB C 4.139 4.803 -5.333 1.00 . A A . 13 THR CB 1 1
3 575 1 1 13 THR CG2 C 5.094 5.998 -5.177 1.00 . A A . 13 THR CG2 1 1
3 576 1 1 13 THR H H 1.662 3.243 -4.472 1.00 . A A . 13 THR H 1 1
3 577 1 1 13 THR HA H 4.397 3.975 -3.362 1.00 . A A . 13 THR HA 1 1
3 578 1 1 13 THR HB H 3.317 5.099 -6.013 1.00 . A A . 13 THR HB 1 1
3 579 1 1 13 THR HG1 H 4.357 2.974 -5.898 1.00 . A A . 13 THR HG1 1 1
3 580 1 1 13 THR HG21 H 5.511 6.305 -6.154 1.00 . A A . 13 THR HG21 1 1
3 581 1 1 13 THR HG22 H 4.580 6.881 -4.753 1.00 . A A . 13 THR HG22 1 1
3 582 1 1 13 THR HG23 H 5.945 5.755 -4.514 1.00 . A A . 13 THR HG23 1 1
3 583 1 1 13 THR N N 2.647 3.116 -4.219 1.00 . A A . 13 THR N 1 1
3 584 1 1 13 THR O O 1.761 5.923 -3.754 1.00 . A A . 13 THR O 1 1
3 585 1 1 13 THR OG1 O 4.892 3.769 -5.962 1.00 . A A . 13 THR OG1 1 1
3 586 1 1 14 ALA C C 3.070 8.009 -1.256 1.00 . A A . 14 ALA C 1 1
3 587 1 1 14 ALA CA C 2.429 6.613 -1.090 1.00 . A A . 14 ALA CA 1 1
3 588 1 1 14 ALA CB C 2.502 6.126 0.368 1.00 . A A . 14 ALA CB 1 1
3 589 1 1 14 ALA H H 3.908 5.071 -1.625 1.00 . A A . 14 ALA H 1 1
3 590 1 1 14 ALA HXT H 2.628 9.763 -1.949 1.00 . A A . 14 ALA HXT 1 1
3 591 1 1 14 ALA HA H 1.354 6.675 -1.352 1.00 . A A . 14 ALA HA 1 1
3 592 1 1 14 ALA HB1 H 1.995 6.828 1.056 1.00 . A A . 14 ALA HB1 1 1
3 593 1 1 14 ALA HB2 H 2.003 5.148 0.493 1.00 . A A . 14 ALA HB2 1 1
3 594 1 1 14 ALA HB3 H 3.543 6.011 0.726 1.00 . A A . 14 ALA HB3 1 1
3 595 1 1 14 ALA N N 3.108 5.619 -1.956 1.00 . A A . 14 ALA N 1 1
3 596 1 1 14 ALA O O 4.219 8.289 -0.910 1.00 . A A . 14 ALA O 1 1
3 597 1 1 14 ALA OXT O 2.214 8.903 -1.845 1.00 . A A . 14 ALA OXT 1 1
4 598 1 1 1 ACE C C 7.305 -1.672 -2.650 1.00 . A A . 1 ACE C 1 1
4 599 1 1 1 ACE CH3 C 8.727 -2.037 -3.060 1.00 . A A . 1 ACE CH3 1 1
4 600 1 1 1 ACE H1 H 8.819 -3.112 -3.302 1.00 . A A . 1 ACE H1 1 1
4 601 1 1 1 ACE H2 H 9.039 -1.470 -3.956 1.00 . A A . 1 ACE H2 1 1
4 602 1 1 1 ACE H3 H 9.450 -1.801 -2.257 1.00 . A A . 1 ACE H3 1 1
4 603 1 1 1 ACE O O 6.669 -0.828 -3.285 1.00 . A A . 1 ACE O 1 1
4 604 1 1 2 ILE C C 5.471 -0.857 -0.078 1.00 . A A . 2 ILE C 1 1
4 605 1 1 2 ILE CA C 5.458 -2.092 -1.028 1.00 . A A . 2 ILE CA 1 1
4 606 1 1 2 ILE CB C 4.793 -3.392 -0.435 1.00 . A A . 2 ILE CB 1 1
4 607 1 1 2 ILE CD1 C 5.949 -3.770 1.910 1.00 . A A . 2 ILE CD1 1 1
4 608 1 1 2 ILE CG1 C 5.623 -4.315 0.513 1.00 . A A . 2 ILE CG1 1 1
4 609 1 1 2 ILE CG2 C 4.218 -4.269 -1.577 1.00 . A A . 2 ILE CG2 1 1
4 610 1 1 2 ILE H H 7.482 -2.986 -1.154 1.00 . A A . 2 ILE H 1 1
4 611 1 1 2 ILE HA H 4.818 -1.802 -1.883 1.00 . A A . 2 ILE HA 1 1
4 612 1 1 2 ILE HB H 3.909 -3.070 0.144 1.00 . A A . 2 ILE HB 1 1
4 613 1 1 2 ILE HD11 H 5.066 -3.315 2.396 1.00 . A A . 2 ILE HD11 1 1
4 614 1 1 2 ILE HD12 H 6.306 -4.578 2.576 1.00 . A A . 2 ILE HD12 1 1
4 615 1 1 2 ILE HD13 H 6.753 -3.015 1.882 1.00 . A A . 2 ILE HD13 1 1
4 616 1 1 2 ILE HG12 H 5.059 -5.252 0.680 1.00 . A A . 2 ILE HG12 1 1
4 617 1 1 2 ILE HG13 H 6.557 -4.636 0.016 1.00 . A A . 2 ILE HG13 1 1
4 618 1 1 2 ILE HG21 H 5.013 -4.674 -2.230 1.00 . A A . 2 ILE HG21 1 1
4 619 1 1 2 ILE HG22 H 3.641 -5.130 -1.189 1.00 . A A . 2 ILE HG22 1 1
4 620 1 1 2 ILE HG23 H 3.523 -3.701 -2.223 1.00 . A A . 2 ILE HG23 1 1
4 621 1 1 2 ILE N N 6.827 -2.321 -1.577 1.00 . A A . 2 ILE N 1 1
4 622 1 1 2 ILE O O 6.152 -0.853 0.951 1.00 . A A . 2 ILE O 1 1
4 623 1 1 3 TRP C C 3.204 1.982 0.382 1.00 . A A . 3 TRP C 1 1
4 624 1 1 3 TRP CA C 4.673 1.471 0.328 1.00 . A A . 3 TRP CA 1 1
4 625 1 1 3 TRP CB C 5.601 2.556 -0.295 1.00 . A A . 3 TRP CB 1 1
4 626 1 1 3 TRP CD1 C 7.945 1.744 0.572 1.00 . A A . 3 TRP CD1 1 1
4 627 1 1 3 TRP CD2 C 7.850 2.136 -1.615 1.00 . A A . 3 TRP CD2 1 1
4 628 1 1 3 TRP CE2 C 9.138 1.648 -1.272 1.00 . A A . 3 TRP CE2 1 1
4 629 1 1 3 TRP CE3 C 7.529 2.408 -2.970 1.00 . A A . 3 TRP CE3 1 1
4 630 1 1 3 TRP CG C 7.092 2.200 -0.456 1.00 . A A . 3 TRP CG 1 1
4 631 1 1 3 TRP CH2 C 9.772 1.709 -3.605 1.00 . A A . 3 TRP CH2 1 1
4 632 1 1 3 TRP CZ2 C 10.108 1.430 -2.279 1.00 . A A . 3 TRP CZ2 1 1
4 633 1 1 3 TRP CZ3 C 8.502 2.190 -3.945 1.00 . A A . 3 TRP CZ3 1 1
4 634 1 1 3 TRP H H 4.160 0.065 -1.291 1.00 . A A . 3 TRP H 1 1
4 635 1 1 3 TRP HA H 5.052 1.297 1.356 1.00 . A A . 3 TRP HA 1 1
4 636 1 1 3 TRP HB2 H 5.193 2.852 -1.276 1.00 . A A . 3 TRP HB2 1 1
4 637 1 1 3 TRP HB3 H 5.534 3.473 0.322 1.00 . A A . 3 TRP HB3 1 1
4 638 1 1 3 TRP HD1 H 7.615 1.559 1.582 1.00 . A A . 3 TRP HD1 1 1
4 639 1 1 3 TRP HE1 H 10.004 0.991 0.607 1.00 . A A . 3 TRP HE1 1 1
4 640 1 1 3 TRP HE3 H 6.552 2.759 -3.256 1.00 . A A . 3 TRP HE3 1 1
4 641 1 1 3 TRP HH2 H 10.502 1.543 -4.384 1.00 . A A . 3 TRP HH2 1 1
4 642 1 1 3 TRP HZ2 H 11.086 1.045 -2.031 1.00 . A A . 3 TRP HZ2 1 1
4 643 1 1 3 TRP HZ3 H 8.266 2.388 -4.981 1.00 . A A . 3 TRP HZ3 1 1
4 644 1 1 3 TRP N N 4.726 0.204 -0.449 1.00 . A A . 3 TRP N 1 1
4 645 1 1 3 TRP NE1 N 9.220 1.402 0.088 1.00 . A A . 3 TRP NE1 1 1
4 646 1 1 3 TRP O O 2.623 2.343 -0.647 1.00 . A A . 3 TRP O 1 1
4 647 1 1 4 GLY C C 0.285 1.403 2.384 1.00 . A A . 4 GLY C 1 1
4 648 1 1 4 GLY CA C 1.235 2.484 1.826 1.00 . A A . 4 GLY CA 1 1
4 649 1 1 4 GLY H H 3.214 1.648 2.346 1.00 . A A . 4 GLY H 1 1
4 650 1 1 4 GLY HA2 H 1.260 3.351 2.512 1.00 . A A . 4 GLY HA2 1 1
4 651 1 1 4 GLY HA3 H 0.788 2.900 0.900 1.00 . A A . 4 GLY HA3 1 1
4 652 1 1 4 GLY N N 2.624 2.011 1.592 1.00 . A A . 4 GLY N 1 1
4 653 1 1 4 GLY O O -0.698 1.082 1.710 1.00 . A A . 4 GLY O 1 1
4 654 1 1 5 GLU C C -0.952 0.300 5.530 1.00 . A A . 5 GLU C 1 1
4 655 1 1 5 GLU CA C -0.313 -0.191 4.208 1.00 . A A . 5 GLU CA 1 1
4 656 1 1 5 GLU CB C 0.507 -1.494 4.476 1.00 . A A . 5 GLU CB 1 1
4 657 1 1 5 GLU CD C 1.040 -2.634 2.201 1.00 . A A . 5 GLU CD 1 1
4 658 1 1 5 GLU CG C 0.210 -2.651 3.500 1.00 . A A . 5 GLU CG 1 1
4 659 1 1 5 GLU H H 1.407 1.165 4.063 1.00 . A A . 5 GLU H 1 1
4 660 1 1 5 GLU HA H -1.137 -0.455 3.512 1.00 . A A . 5 GLU HA 1 1
4 661 1 1 5 GLU HB2 H 1.597 -1.300 4.538 1.00 . A A . 5 GLU HB2 1 1
4 662 1 1 5 GLU HB3 H 0.275 -1.896 5.483 1.00 . A A . 5 GLU HB3 1 1
4 663 1 1 5 GLU HG2 H 0.413 -3.594 4.039 1.00 . A A . 5 GLU HG2 1 1
4 664 1 1 5 GLU HG3 H -0.880 -2.695 3.297 1.00 . A A . 5 GLU HG3 1 1
4 665 1 1 5 GLU N N 0.543 0.863 3.597 1.00 . A A . 5 GLU N 1 1
4 666 1 1 5 GLU O O -0.246 0.544 6.515 1.00 . A A . 5 GLU O 1 1
4 667 1 1 5 GLU OE1 O 2.065 -3.313 2.112 1.00 . A A . 5 GLU OE1 1 1
4 668 1 1 6 SER C C -4.550 0.438 6.506 1.00 . A A . 6 SER C 1 1
4 669 1 1 6 SER CA C -3.061 0.818 6.744 1.00 . A A . 6 SER CA 1 1
4 670 1 1 6 SER CB C -2.910 2.317 7.127 1.00 . A A . 6 SER CB 1 1
4 671 1 1 6 SER H H -2.752 0.204 4.648 1.00 . A A . 6 SER H 1 1
4 672 1 1 6 SER HA H -2.671 0.196 7.575 1.00 . A A . 6 SER HA 1 1
4 673 1 1 6 SER HB2 H -3.090 2.970 6.252 1.00 . A A . 6 SER HB2 1 1
4 674 1 1 6 SER HB3 H -3.669 2.605 7.879 1.00 . A A . 6 SER HB3 1 1
4 675 1 1 6 SER HG H -0.995 2.098 7.143 1.00 . A A . 6 SER HG 1 1
4 676 1 1 6 SER N N -2.291 0.421 5.539 1.00 . A A . 6 SER N 1 1
4 677 1 1 6 SER O O -5.333 1.244 5.988 1.00 . A A . 6 SER O 1 1
4 678 1 1 6 SER OG O -1.626 2.594 7.675 1.00 . A A . 6 SER OG 1 1
4 679 1 1 7 GLY C C -6.570 -1.901 5.301 1.00 . A A . 7 GLY C 1 1
4 680 1 1 7 GLY CA C -6.328 -1.292 6.696 1.00 . A A . 7 GLY CA 1 1
4 681 1 1 7 GLY H H -4.170 -1.421 7.159 1.00 . A A . 7 GLY H 1 1
4 682 1 1 7 GLY HA2 H -6.524 -2.066 7.460 1.00 . A A . 7 GLY HA2 1 1
4 683 1 1 7 GLY HA3 H -7.067 -0.495 6.912 1.00 . A A . 7 GLY HA3 1 1
4 684 1 1 7 GLY N N -4.937 -0.801 6.874 1.00 . A A . 7 GLY N 1 1
4 685 1 1 7 GLY O O -6.577 -3.125 5.143 1.00 . A A . 7 GLY O 1 1
4 686 1 1 8 LYS C C -5.619 -1.768 2.232 1.00 . A A . 8 LYS C 1 1
4 687 1 1 8 LYS CA C -6.992 -1.428 2.890 1.00 . A A . 8 LYS CA 1 1
4 688 1 1 8 LYS CB C -7.726 -0.268 2.161 1.00 . A A . 8 LYS CB 1 1
4 689 1 1 8 LYS CD C -8.903 0.598 0.041 1.00 . A A . 8 LYS CD 1 1
4 690 1 1 8 LYS CE C -9.330 0.350 -1.419 1.00 . A A . 8 LYS CE 1 1
4 691 1 1 8 LYS CG C -8.202 -0.596 0.726 1.00 . A A . 8 LYS CG 1 1
4 692 1 1 8 LYS H H -6.645 -0.044 4.580 1.00 . A A . 8 LYS H 1 1
4 693 1 1 8 LYS HA H -7.660 -2.314 2.874 1.00 . A A . 8 LYS HA 1 1
4 694 1 1 8 LYS HB2 H -8.613 0.034 2.753 1.00 . A A . 8 LYS HB2 1 1
4 695 1 1 8 LYS HB3 H -7.075 0.628 2.137 1.00 . A A . 8 LYS HB3 1 1
4 696 1 1 8 LYS HD2 H -9.774 0.926 0.642 1.00 . A A . 8 LYS HD2 1 1
4 697 1 1 8 LYS HD3 H -8.211 1.463 0.050 1.00 . A A . 8 LYS HD3 1 1
4 698 1 1 8 LYS HE2 H -9.613 1.315 -1.884 1.00 . A A . 8 LYS HE2 1 1
4 699 1 1 8 LYS HE3 H -8.472 -0.019 -2.014 1.00 . A A . 8 LYS HE3 1 1
4 700 1 1 8 LYS HG2 H -7.339 -0.911 0.109 1.00 . A A . 8 LYS HG2 1 1
4 701 1 1 8 LYS HG3 H -8.883 -1.468 0.756 1.00 . A A . 8 LYS HG3 1 1
4 702 1 1 8 LYS HZ1 H -11.294 -0.253 -1.029 1.00 . A A . 8 LYS HZ1 1 1
4 703 1 1 8 LYS HZ2 H -10.753 -0.733 -2.512 1.00 . A A . 8 LYS HZ2 1 1
4 704 1 1 8 LYS HZ3 H -10.240 -1.514 -1.152 1.00 . A A . 8 LYS HZ3 1 1
4 705 1 1 8 LYS N N -6.774 -1.024 4.303 1.00 . A A . 8 LYS N 1 1
4 706 1 1 8 LYS NZ N -10.467 -0.589 -1.536 1.00 . A A . 8 LYS NZ 1 1
4 707 1 1 8 LYS O O -4.652 -1.006 2.361 1.00 . A A . 8 LYS O 1 1
4 708 1 1 9 LEU C C -4.085 -2.641 -0.533 1.00 . A A . 9 LEU C 1 1
4 709 1 1 9 LEU CA C -4.306 -3.360 0.838 1.00 . A A . 9 LEU CA 1 1
4 710 1 1 9 LEU CB C -4.349 -4.918 0.737 1.00 . A A . 9 LEU CB 1 1
4 711 1 1 9 LEU CD1 C -2.198 -6.250 1.346 1.00 . A A . 9 LEU CD1 1 1
4 712 1 1 9 LEU CD2 C -3.412 -6.749 -0.796 1.00 . A A . 9 LEU CD2 1 1
4 713 1 1 9 LEU CG C -3.062 -5.641 0.218 1.00 . A A . 9 LEU CG 1 1
4 714 1 1 9 LEU H H -6.416 -3.460 1.492 1.00 . A A . 9 LEU H 1 1
4 715 1 1 9 LEU HA H -3.458 -3.093 1.503 1.00 . A A . 9 LEU HA 1 1
4 716 1 1 9 LEU HB2 H -4.628 -5.350 1.719 1.00 . A A . 9 LEU HB2 1 1
4 717 1 1 9 LEU HB3 H -5.211 -5.180 0.092 1.00 . A A . 9 LEU HB3 1 1
4 718 1 1 9 LEU HD11 H -1.871 -5.492 2.080 1.00 . A A . 9 LEU HD11 1 1
4 719 1 1 9 LEU HD12 H -2.734 -7.041 1.906 1.00 . A A . 9 LEU HD12 1 1
4 720 1 1 9 LEU HD13 H -1.277 -6.723 0.950 1.00 . A A . 9 LEU HD13 1 1
4 721 1 1 9 LEU HD21 H -3.967 -6.342 -1.663 1.00 . A A . 9 LEU HD21 1 1
4 722 1 1 9 LEU HD22 H -2.506 -7.236 -1.203 1.00 . A A . 9 LEU HD22 1 1
4 723 1 1 9 LEU HD23 H -4.039 -7.542 -0.348 1.00 . A A . 9 LEU HD23 1 1
4 724 1 1 9 LEU HG H -2.429 -4.915 -0.327 1.00 . A A . 9 LEU HG 1 1
4 725 1 1 9 LEU N N -5.555 -2.904 1.510 1.00 . A A . 9 LEU N 1 1
4 726 1 1 9 LEU O O -4.427 -3.153 -1.603 1.00 . A A . 9 LEU O 1 1
4 727 1 1 10 ILE C C -1.712 -0.039 -1.381 1.00 . A A . 10 ILE C 1 1
4 728 1 1 10 ILE CA C -3.164 -0.578 -1.628 1.00 . A A . 10 ILE CA 1 1
4 729 1 1 10 ILE CB C -4.268 0.505 -1.938 1.00 . A A . 10 ILE CB 1 1
4 730 1 1 10 ILE CD1 C -4.045 2.329 -0.041 1.00 . A A . 10 ILE CD1 1 1
4 731 1 1 10 ILE CG1 C -4.924 1.293 -0.756 1.00 . A A . 10 ILE CG1 1 1
4 732 1 1 10 ILE CG2 C -5.400 -0.108 -2.800 1.00 . A A . 10 ILE CG2 1 1
4 733 1 1 10 ILE H H -3.358 -1.093 0.500 1.00 . A A . 10 ILE H 1 1
4 734 1 1 10 ILE HA H -3.074 -1.210 -2.536 1.00 . A A . 10 ILE HA 1 1
4 735 1 1 10 ILE HB H -3.787 1.256 -2.587 1.00 . A A . 10 ILE HB 1 1
4 736 1 1 10 ILE HD11 H -4.634 2.906 0.697 1.00 . A A . 10 ILE HD11 1 1
4 737 1 1 10 ILE HD12 H -3.212 1.859 0.510 1.00 . A A . 10 ILE HD12 1 1
4 738 1 1 10 ILE HD13 H -3.614 3.061 -0.750 1.00 . A A . 10 ILE HD13 1 1
4 739 1 1 10 ILE HG12 H -5.806 1.847 -1.129 1.00 . A A . 10 ILE HG12 1 1
4 740 1 1 10 ILE HG13 H -5.335 0.590 -0.009 1.00 . A A . 10 ILE HG13 1 1
4 741 1 1 10 ILE HG21 H -6.117 0.659 -3.149 1.00 . A A . 10 ILE HG21 1 1
4 742 1 1 10 ILE HG22 H -5.005 -0.600 -3.708 1.00 . A A . 10 ILE HG22 1 1
4 743 1 1 10 ILE HG23 H -5.978 -0.869 -2.243 1.00 . A A . 10 ILE HG23 1 1
4 744 1 1 10 ILE N N -3.506 -1.433 -0.455 1.00 . A A . 10 ILE N 1 1
4 745 1 1 10 ILE O O -1.475 1.170 -1.291 1.00 . A A . 10 ILE O 1 1
4 746 1 1 11 . C C 1.287 -1.709 -0.086 1.00 . A A . 11 SET C 1 1
4 747 1 1 11 . CA C 0.701 -0.625 -1.046 1.00 . A A . 11 SET CA 1 1
4 748 1 1 11 . CB C 1.548 -0.456 -2.350 1.00 . A A . 11 SET CB 1 1
4 749 1 1 11 . H H -1.046 -1.932 -1.354 1.00 . A A . 11 SET H 1 1
4 750 1 1 11 . HA H 0.764 0.316 -0.461 1.00 . A A . 11 SET HA 1 1
4 751 1 1 11 . HB2 H 1.320 -2.694 -0.594 1.00 . A A . 11 SET HB2 1 1
4 752 1 1 11 . HB3 H 2.343 -1.448 0.118 1.00 . A A . 11 SET HB3 1 1
4 753 1 1 11 . HNT2 H -0.277 -1.343 1.431 1.00 . A A . 11 SET HNT2 1 1
4 754 1 1 11 . N N -0.722 -0.959 -1.333 1.00 . A A . 11 SET N 1 1
4 755 1 1 11 . NT N 0.586 -1.852 1.214 1.00 . A A . 11 SET NT 1 1
4 756 1 1 11 . OG O 2.441 -1.266 -2.620 1.00 . A A . 11 SET OG 1 1
4 757 1 1 12 THR C C 3.175 1.897 -4.082 1.00 . A A . 12 THR C 1 1
4 758 1 1 12 THR CA C 2.056 0.861 -4.414 1.00 . A A . 12 THR CA 1 1
4 759 1 1 12 THR CB C 1.075 1.201 -5.583 1.00 . A A . 12 THR CB 1 1
4 760 1 1 12 THR CG2 C 1.766 1.410 -6.942 1.00 . A A . 12 THR CG2 1 1
4 761 1 1 12 THR H H 0.440 1.133 -2.963 1.00 . A A . 12 THR H 1 1
4 762 1 1 12 THR HA H 2.577 -0.064 -4.734 1.00 . A A . 12 THR HA 1 1
4 763 1 1 12 THR HB H 0.510 2.120 -5.335 1.00 . A A . 12 THR HB 1 1
4 764 1 1 12 THR HG1 H -0.390 0.380 -6.527 1.00 . A A . 12 THR HG1 1 1
4 765 1 1 12 THR HG21 H 2.332 0.513 -7.256 1.00 . A A . 12 THR HG21 1 1
4 766 1 1 12 THR HG22 H 1.032 1.631 -7.738 1.00 . A A . 12 THR HG22 1 1
4 767 1 1 12 THR HG23 H 2.477 2.257 -6.919 1.00 . A A . 12 THR HG23 1 1
4 768 1 1 12 THR N N 1.296 0.601 -3.157 1.00 . A A . 12 THR N 1 1
4 769 1 1 12 THR O O 4.297 1.480 -3.781 1.00 . A A . 12 THR O 1 1
4 770 1 1 12 THR OG1 O 0.139 0.141 -5.762 1.00 . A A . 12 THR OG1 1 1
4 771 1 1 13 THR C C 3.114 5.389 -3.034 1.00 . A A . 13 THR C 1 1
4 772 1 1 13 THR CA C 3.874 4.283 -3.821 1.00 . A A . 13 THR CA 1 1
4 773 1 1 13 THR CB C 4.590 4.775 -5.118 1.00 . A A . 13 THR CB 1 1
4 774 1 1 13 THR CG2 C 5.648 5.862 -4.875 1.00 . A A . 13 THR CG2 1 1
4 775 1 1 13 THR H H 1.928 3.443 -4.412 1.00 . A A . 13 THR H 1 1
4 776 1 1 13 THR HA H 4.666 3.882 -3.162 1.00 . A A . 13 THR HA 1 1
4 777 1 1 13 THR HB H 3.837 5.171 -5.827 1.00 . A A . 13 THR HB 1 1
4 778 1 1 13 THR HG1 H 4.660 2.945 -5.717 1.00 . A A . 13 THR HG1 1 1
4 779 1 1 13 THR HG21 H 6.144 6.153 -5.819 1.00 . A A . 13 THR HG21 1 1
4 780 1 1 13 THR HG22 H 5.204 6.779 -4.446 1.00 . A A . 13 THR HG22 1 1
4 781 1 1 13 THR HG23 H 6.436 5.515 -4.181 1.00 . A A . 13 THR HG23 1 1
4 782 1 1 13 THR N N 2.885 3.215 -4.128 1.00 . A A . 13 THR N 1 1
4 783 1 1 13 THR O O 2.499 6.283 -3.628 1.00 . A A . 13 THR O 1 1
4 784 1 1 13 THR OG1 O 5.268 3.688 -5.743 1.00 . A A . 13 THR OG1 1 1
4 785 1 1 14 ALA C C 3.238 6.284 0.558 1.00 . A A . 14 ALA C 1 1
4 786 1 1 14 ALA CA C 2.491 6.278 -0.792 1.00 . A A . 14 ALA CA 1 1
4 787 1 1 14 ALA CB C 0.999 5.934 -0.610 1.00 . A A . 14 ALA CB 1 1
4 788 1 1 14 ALA H H 3.635 4.474 -1.327 1.00 . A A . 14 ALA H 1 1
4 789 1 1 14 ALA HXT H 4.322 7.469 1.642 1.00 . A A . 14 ALA HXT 1 1
4 790 1 1 14 ALA HA H 2.555 7.294 -1.230 1.00 . A A . 14 ALA HA 1 1
4 791 1 1 14 ALA HB1 H 0.495 6.647 0.068 1.00 . A A . 14 ALA HB1 1 1
4 792 1 1 14 ALA HB2 H 0.454 5.971 -1.572 1.00 . A A . 14 ALA HB2 1 1
4 793 1 1 14 ALA HB3 H 0.850 4.922 -0.192 1.00 . A A . 14 ALA HB3 1 1
4 794 1 1 14 ALA N N 3.159 5.307 -1.691 1.00 . A A . 14 ALA N 1 1
4 795 1 1 14 ALA O O 3.278 5.326 1.332 1.00 . A A . 14 ALA O 1 1
4 796 1 1 14 ALA OXT O 3.860 7.482 0.801 1.00 . A A . 14 ALA OXT 1 1
5 797 1 1 1 ACE C C 3.206 0.100 8.582 1.00 . A A . 1 ACE C 1 1
5 798 1 1 1 ACE CH3 C 3.977 1.283 9.156 1.00 . A A . 1 ACE CH3 1 1
5 799 1 1 1 ACE H1 H 4.098 1.197 10.252 1.00 . A A . 1 ACE H1 1 1
5 800 1 1 1 ACE H2 H 4.990 1.346 8.716 1.00 . A A . 1 ACE H2 1 1
5 801 1 1 1 ACE H3 H 3.467 2.240 8.939 1.00 . A A . 1 ACE H3 1 1
5 802 1 1 1 ACE O O 3.730 -0.641 7.748 1.00 . A A . 1 ACE O 1 1
5 803 1 1 2 ILE C C 0.345 -0.743 7.268 1.00 . A A . 2 ILE C 1 1
5 804 1 1 2 ILE CA C 1.051 -1.156 8.594 1.00 . A A . 2 ILE CA 1 1
5 805 1 1 2 ILE CB C 0.086 -1.688 9.719 1.00 . A A . 2 ILE CB 1 1
5 806 1 1 2 ILE CD1 C -1.836 0.117 9.855 1.00 . A A . 2 ILE CD1 1 1
5 807 1 1 2 ILE CG1 C -0.724 -0.661 10.573 1.00 . A A . 2 ILE CG1 1 1
5 808 1 1 2 ILE CG2 C 0.853 -2.624 10.688 1.00 . A A . 2 ILE CG2 1 1
5 809 1 1 2 ILE H H 1.640 0.661 9.698 1.00 . A A . 2 ILE H 1 1
5 810 1 1 2 ILE HA H 1.702 -2.017 8.335 1.00 . A A . 2 ILE HA 1 1
5 811 1 1 2 ILE HB H -0.656 -2.342 9.223 1.00 . A A . 2 ILE HB 1 1
5 812 1 1 2 ILE HD11 H -2.491 0.631 10.583 1.00 . A A . 2 ILE HD11 1 1
5 813 1 1 2 ILE HD12 H -1.431 0.902 9.194 1.00 . A A . 2 ILE HD12 1 1
5 814 1 1 2 ILE HD13 H -2.481 -0.544 9.247 1.00 . A A . 2 ILE HD13 1 1
5 815 1 1 2 ILE HG12 H -1.216 -1.197 11.407 1.00 . A A . 2 ILE HG12 1 1
5 816 1 1 2 ILE HG13 H -0.040 0.053 11.068 1.00 . A A . 2 ILE HG13 1 1
5 817 1 1 2 ILE HG21 H 1.628 -2.082 11.262 1.00 . A A . 2 ILE HG21 1 1
5 818 1 1 2 ILE HG22 H 0.180 -3.106 11.421 1.00 . A A . 2 ILE HG22 1 1
5 819 1 1 2 ILE HG23 H 1.363 -3.446 10.151 1.00 . A A . 2 ILE HG23 1 1
5 820 1 1 2 ILE N N 1.957 -0.061 9.047 1.00 . A A . 2 ILE N 1 1
5 821 1 1 2 ILE O O -0.223 0.347 7.150 1.00 . A A . 2 ILE O 1 1
5 822 1 1 3 TRP C C -0.833 -2.699 4.420 1.00 . A A . 3 TRP C 1 1
5 823 1 1 3 TRP CA C -0.164 -1.390 4.917 1.00 . A A . 3 TRP CA 1 1
5 824 1 1 3 TRP CB C 0.918 -0.925 3.896 1.00 . A A . 3 TRP CB 1 1
5 825 1 1 3 TRP CD1 C 1.197 1.598 4.578 1.00 . A A . 3 TRP CD1 1 1
5 826 1 1 3 TRP CD2 C 3.091 0.438 4.488 1.00 . A A . 3 TRP CD2 1 1
5 827 1 1 3 TRP CE2 C 3.363 1.765 4.910 1.00 . A A . 3 TRP CE2 1 1
5 828 1 1 3 TRP CE3 C 4.142 -0.509 4.379 1.00 . A A . 3 TRP CE3 1 1
5 829 1 1 3 TRP CG C 1.728 0.329 4.271 1.00 . A A . 3 TRP CG 1 1
5 830 1 1 3 TRP CH2 C 5.708 1.209 5.106 1.00 . A A . 3 TRP CH2 1 1
5 831 1 1 3 TRP CZ2 C 4.686 2.153 5.224 1.00 . A A . 3 TRP CZ2 1 1
5 832 1 1 3 TRP CZ3 C 5.440 -0.101 4.690 1.00 . A A . 3 TRP CZ3 1 1
5 833 1 1 3 TRP H H 0.859 -2.520 6.509 1.00 . A A . 3 TRP H 1 1
5 834 1 1 3 TRP HA H -0.914 -0.574 4.974 1.00 . A A . 3 TRP HA 1 1
5 835 1 1 3 TRP HB2 H 1.613 -1.761 3.694 1.00 . A A . 3 TRP HB2 1 1
5 836 1 1 3 TRP HB3 H 0.431 -0.733 2.922 1.00 . A A . 3 TRP HB3 1 1
5 837 1 1 3 TRP HD1 H 0.141 1.815 4.606 1.00 . A A . 3 TRP HD1 1 1
5 838 1 1 3 TRP HE1 H 2.080 3.477 5.285 1.00 . A A . 3 TRP HE1 1 1
5 839 1 1 3 TRP HE3 H 3.950 -1.525 4.066 1.00 . A A . 3 TRP HE3 1 1
5 840 1 1 3 TRP HH2 H 6.722 1.493 5.344 1.00 . A A . 3 TRP HH2 1 1
5 841 1 1 3 TRP HZ2 H 4.904 3.159 5.553 1.00 . A A . 3 TRP HZ2 1 1
5 842 1 1 3 TRP HZ3 H 6.251 -0.810 4.613 1.00 . A A . 3 TRP HZ3 1 1
5 843 1 1 3 TRP N N 0.416 -1.633 6.262 1.00 . A A . 3 TRP N 1 1
5 844 1 1 3 TRP NE1 N 2.196 2.506 4.973 1.00 . A A . 3 TRP NE1 1 1
5 845 1 1 3 TRP O O -0.164 -3.724 4.240 1.00 . A A . 3 TRP O 1 1
5 846 1 1 4 GLY C C -2.757 -4.004 2.159 1.00 . A A . 4 GLY C 1 1
5 847 1 1 4 GLY CA C -2.930 -3.810 3.685 1.00 . A A . 4 GLY CA 1 1
5 848 1 1 4 GLY H H -2.599 -1.771 4.466 1.00 . A A . 4 GLY H 1 1
5 849 1 1 4 GLY HA2 H -2.704 -4.726 4.263 1.00 . A A . 4 GLY HA2 1 1
5 850 1 1 4 GLY HA3 H -4.002 -3.615 3.906 1.00 . A A . 4 GLY HA3 1 1
5 851 1 1 4 GLY N N -2.153 -2.648 4.180 1.00 . A A . 4 GLY N 1 1
5 852 1 1 4 GLY O O -3.532 -3.416 1.397 1.00 . A A . 4 GLY O 1 1
5 853 1 1 5 GLU C C -2.498 -6.042 -0.391 1.00 . A A . 5 GLU C 1 1
5 854 1 1 5 GLU CA C -1.517 -5.027 0.256 1.00 . A A . 5 GLU CA 1 1
5 855 1 1 5 GLU CB C -0.028 -5.431 -0.007 1.00 . A A . 5 GLU CB 1 1
5 856 1 1 5 GLU CD C 1.221 -3.145 0.003 1.00 . A A . 5 GLU CD 1 1
5 857 1 1 5 GLU CG C 0.785 -4.387 -0.806 1.00 . A A . 5 GLU CG 1 1
5 858 1 1 5 GLU H H -1.086 -5.152 2.399 1.00 . A A . 5 GLU H 1 1
5 859 1 1 5 GLU HA H -1.665 -4.043 -0.237 1.00 . A A . 5 GLU HA 1 1
5 860 1 1 5 GLU HB2 H 0.513 -5.685 0.926 1.00 . A A . 5 GLU HB2 1 1
5 861 1 1 5 GLU HB3 H 0.026 -6.375 -0.586 1.00 . A A . 5 GLU HB3 1 1
5 862 1 1 5 GLU HG2 H 1.659 -4.907 -1.242 1.00 . A A . 5 GLU HG2 1 1
5 863 1 1 5 GLU HG3 H 0.192 -4.062 -1.685 1.00 . A A . 5 GLU HG3 1 1
5 864 1 1 5 GLU N N -1.767 -4.812 1.707 1.00 . A A . 5 GLU N 1 1
5 865 1 1 5 GLU O O -2.410 -7.254 -0.166 1.00 . A A . 5 GLU O 1 1
5 866 1 1 5 GLU OE1 O 0.443 -2.603 0.794 1.00 . A A . 5 GLU OE1 1 1
5 867 1 1 6 SER C C -4.942 -5.408 -3.085 1.00 . A A . 6 SER C 1 1
5 868 1 1 6 SER CA C -4.426 -6.316 -1.937 1.00 . A A . 6 SER CA 1 1
5 869 1 1 6 SER CB C -5.558 -6.841 -1.016 1.00 . A A . 6 SER CB 1 1
5 870 1 1 6 SER H H -3.416 -4.486 -1.251 1.00 . A A . 6 SER H 1 1
5 871 1 1 6 SER HA H -3.895 -7.190 -2.367 1.00 . A A . 6 SER HA 1 1
5 872 1 1 6 SER HB2 H -5.139 -7.414 -0.168 1.00 . A A . 6 SER HB2 1 1
5 873 1 1 6 SER HB3 H -6.124 -6.004 -0.565 1.00 . A A . 6 SER HB3 1 1
5 874 1 1 6 SER HG H -5.941 -8.448 -2.013 1.00 . A A . 6 SER HG 1 1
5 875 1 1 6 SER N N -3.429 -5.510 -1.198 1.00 . A A . 6 SER N 1 1
5 876 1 1 6 SER O O -5.844 -4.587 -2.883 1.00 . A A . 6 SER O 1 1
5 877 1 1 6 SER OG O -6.451 -7.682 -1.739 1.00 . A A . 6 SER OG 1 1
5 878 1 1 7 GLY C C -3.762 -3.557 -5.774 1.00 . A A . 7 GLY C 1 1
5 879 1 1 7 GLY CA C -4.727 -4.721 -5.461 1.00 . A A . 7 GLY CA 1 1
5 880 1 1 7 GLY H H -3.531 -6.171 -4.292 1.00 . A A . 7 GLY H 1 1
5 881 1 1 7 GLY HA2 H -4.770 -5.390 -6.340 1.00 . A A . 7 GLY HA2 1 1
5 882 1 1 7 GLY HA3 H -5.758 -4.325 -5.372 1.00 . A A . 7 GLY HA3 1 1
5 883 1 1 7 GLY N N -4.342 -5.542 -4.283 1.00 . A A . 7 GLY N 1 1
5 884 1 1 7 GLY O O -3.236 -3.488 -6.888 1.00 . A A . 7 GLY O 1 1
5 885 1 1 8 LYS C C -1.136 -1.853 -5.139 1.00 . A A . 8 LYS C 1 1
5 886 1 1 8 LYS CA C -2.641 -1.470 -4.977 1.00 . A A . 8 LYS CA 1 1
5 887 1 1 8 LYS CB C -2.883 -0.417 -3.860 1.00 . A A . 8 LYS CB 1 1
5 888 1 1 8 LYS CD C -2.919 0.354 -1.413 1.00 . A A . 8 LYS CD 1 1
5 889 1 1 8 LYS CE C -2.862 0.003 0.086 1.00 . A A . 8 LYS CE 1 1
5 890 1 1 8 LYS CG C -2.618 -0.811 -2.384 1.00 . A A . 8 LYS CG 1 1
5 891 1 1 8 LYS H H -4.048 -2.820 -3.931 1.00 . A A . 8 LYS H 1 1
5 892 1 1 8 LYS HA H -2.977 -0.965 -5.907 1.00 . A A . 8 LYS HA 1 1
5 893 1 1 8 LYS HB2 H -2.270 0.473 -4.096 1.00 . A A . 8 LYS HB2 1 1
5 894 1 1 8 LYS HB3 H -3.927 -0.057 -3.947 1.00 . A A . 8 LYS HB3 1 1
5 895 1 1 8 LYS HD2 H -2.249 1.209 -1.629 1.00 . A A . 8 LYS HD2 1 1
5 896 1 1 8 LYS HD3 H -3.937 0.734 -1.625 1.00 . A A . 8 LYS HD3 1 1
5 897 1 1 8 LYS HE2 H -3.332 0.822 0.665 1.00 . A A . 8 LYS HE2 1 1
5 898 1 1 8 LYS HE3 H -3.474 -0.896 0.299 1.00 . A A . 8 LYS HE3 1 1
5 899 1 1 8 LYS HG2 H -3.237 -1.689 -2.119 1.00 . A A . 8 LYS HG2 1 1
5 900 1 1 8 LYS HG3 H -1.567 -1.136 -2.262 1.00 . A A . 8 LYS HG3 1 1
5 901 1 1 8 LYS HZ1 H -1.459 -0.379 1.589 1.00 . A A . 8 LYS HZ1 1 1
5 902 1 1 8 LYS HZ2 H -1.023 -0.992 0.126 1.00 . A A . 8 LYS HZ2 1 1
5 903 1 1 8 LYS HZ3 H -0.897 0.630 0.409 1.00 . A A . 8 LYS HZ3 1 1
5 904 1 1 8 LYS N N -3.543 -2.643 -4.806 1.00 . A A . 8 LYS N 1 1
5 905 1 1 8 LYS NZ N -1.484 -0.195 0.580 1.00 . A A . 8 LYS NZ 1 1
5 906 1 1 8 LYS O O -0.551 -2.532 -4.288 1.00 . A A . 8 LYS O 1 1
5 907 1 1 9 LEU C C 2.025 -0.899 -5.788 1.00 . A A . 9 LEU C 1 1
5 908 1 1 9 LEU CA C 0.902 -1.647 -6.585 1.00 . A A . 9 LEU CA 1 1
5 909 1 1 9 LEU CB C 1.078 -1.563 -8.135 1.00 . A A . 9 LEU CB 1 1
5 910 1 1 9 LEU CD1 C -0.436 0.425 -8.900 1.00 . A A . 9 LEU CD1 1 1
5 911 1 1 9 LEU CD2 C 2.049 0.814 -8.609 1.00 . A A . 9 LEU CD2 1 1
5 912 1 1 9 LEU CG C 0.960 -0.227 -8.932 1.00 . A A . 9 LEU CG 1 1
5 913 1 1 9 LEU H H -1.139 -0.857 -6.878 1.00 . A A . 9 LEU H 1 1
5 914 1 1 9 LEU HA H 1.085 -2.712 -6.354 1.00 . A A . 9 LEU HA 1 1
5 915 1 1 9 LEU HB2 H 2.066 -2.000 -8.378 1.00 . A A . 9 LEU HB2 1 1
5 916 1 1 9 LEU HB3 H 0.376 -2.286 -8.596 1.00 . A A . 9 LEU HB3 1 1
5 917 1 1 9 LEU HD11 H -0.514 1.251 -9.632 1.00 . A A . 9 LEU HD11 1 1
5 918 1 1 9 LEU HD12 H -1.232 -0.300 -9.152 1.00 . A A . 9 LEU HD12 1 1
5 919 1 1 9 LEU HD13 H -0.676 0.852 -7.908 1.00 . A A . 9 LEU HD13 1 1
5 920 1 1 9 LEU HD21 H 3.061 0.369 -8.641 1.00 . A A . 9 LEU HD21 1 1
5 921 1 1 9 LEU HD22 H 2.044 1.647 -9.336 1.00 . A A . 9 LEU HD22 1 1
5 922 1 1 9 LEU HD23 H 1.917 1.261 -7.607 1.00 . A A . 9 LEU HD23 1 1
5 923 1 1 9 LEU HG H 1.130 -0.518 -9.985 1.00 . A A . 9 LEU HG 1 1
5 924 1 1 9 LEU N N -0.530 -1.385 -6.245 1.00 . A A . 9 LEU N 1 1
5 925 1 1 9 LEU O O 3.206 -1.135 -6.061 1.00 . A A . 9 LEU O 1 1
5 926 1 1 10 ILE C C 2.087 0.672 -2.540 1.00 . A A . 10 ILE C 1 1
5 927 1 1 10 ILE CA C 2.651 0.736 -3.998 1.00 . A A . 10 ILE CA 1 1
5 928 1 1 10 ILE CB C 2.960 2.176 -4.548 1.00 . A A . 10 ILE CB 1 1
5 929 1 1 10 ILE CD1 C 5.446 2.190 -3.744 1.00 . A A . 10 ILE CD1 1 1
5 930 1 1 10 ILE CG1 C 4.089 2.912 -3.768 1.00 . A A . 10 ILE CG1 1 1
5 931 1 1 10 ILE CG2 C 1.737 3.117 -4.682 1.00 . A A . 10 ILE CG2 1 1
5 932 1 1 10 ILE H H 0.704 -0.069 -4.542 1.00 . A A . 10 ILE H 1 1
5 933 1 1 10 ILE HA H 3.619 0.204 -4.070 1.00 . A A . 10 ILE HA 1 1
5 934 1 1 10 ILE HB H 3.340 2.038 -5.579 1.00 . A A . 10 ILE HB 1 1
5 935 1 1 10 ILE HD11 H 6.226 2.818 -3.279 1.00 . A A . 10 ILE HD11 1 1
5 936 1 1 10 ILE HD12 H 5.403 1.251 -3.161 1.00 . A A . 10 ILE HD12 1 1
5 937 1 1 10 ILE HD13 H 5.789 1.930 -4.763 1.00 . A A . 10 ILE HD13 1 1
5 938 1 1 10 ILE HG12 H 4.251 3.912 -4.213 1.00 . A A . 10 ILE HG12 1 1
5 939 1 1 10 ILE HG13 H 3.767 3.110 -2.727 1.00 . A A . 10 ILE HG13 1 1
5 940 1 1 10 ILE HG21 H 0.939 2.660 -5.295 1.00 . A A . 10 ILE HG21 1 1
5 941 1 1 10 ILE HG22 H 1.293 3.371 -3.702 1.00 . A A . 10 ILE HG22 1 1
5 942 1 1 10 ILE HG23 H 2.004 4.070 -5.175 1.00 . A A . 10 ILE HG23 1 1
5 943 1 1 10 ILE N N 1.683 -0.019 -4.828 1.00 . A A . 10 ILE N 1 1
5 944 1 1 10 ILE O O 1.004 1.204 -2.264 1.00 . A A . 10 ILE O 1 1
5 945 1 1 11 . C C 2.970 -1.431 0.402 1.00 . A A . 11 SET C 1 1
5 946 1 1 11 . CA C 2.384 -0.111 -0.187 1.00 . A A . 11 SET CA 1 1
5 947 1 1 11 . CB C 2.743 1.155 0.662 1.00 . A A . 11 SET CB 1 1
5 948 1 1 11 . H H 3.598 -0.533 -1.942 1.00 . A A . 11 SET H 1 1
5 949 1 1 11 . HA H 1.287 -0.273 -0.146 1.00 . A A . 11 SET HA 1 1
5 950 1 1 11 . HB2 H 4.074 -1.424 0.327 1.00 . A A . 11 SET HB2 1 1
5 951 1 1 11 . HB3 H 2.774 -1.474 1.492 1.00 . A A . 11 SET HB3 1 1
5 952 1 1 11 . HNT2 H 3.005 -3.201 -0.920 1.00 . A A . 11 SET HNT2 1 1
5 953 1 1 11 . N N 2.817 0.031 -1.605 1.00 . A A . 11 SET N 1 1
5 954 1 1 11 . NT N 2.457 -2.676 -0.229 1.00 . A A . 11 SET NT 1 1
5 955 1 1 11 . OG O 3.667 1.127 1.480 1.00 . A A . 11 SET OG 1 1
5 956 1 1 12 THR C C 0.775 4.100 1.440 1.00 . A A . 12 THR C 1 1
5 957 1 1 12 THR CA C 2.213 3.548 1.188 1.00 . A A . 12 THR CA 1 1
5 958 1 1 12 THR CB C 3.221 4.499 0.463 1.00 . A A . 12 THR CB 1 1
5 959 1 1 12 THR CG2 C 3.502 5.804 1.226 1.00 . A A . 12 THR CG2 1 1
5 960 1 1 12 THR H H 1.466 2.283 -0.420 1.00 . A A . 12 THR H 1 1
5 961 1 1 12 THR HA H 2.641 3.327 2.187 1.00 . A A . 12 THR HA 1 1
5 962 1 1 12 THR HB H 2.829 4.758 -0.539 1.00 . A A . 12 THR HB 1 1
5 963 1 1 12 THR HG1 H 5.067 4.509 -0.085 1.00 . A A . 12 THR HG1 1 1
5 964 1 1 12 THR HG21 H 4.231 6.438 0.689 1.00 . A A . 12 THR HG21 1 1
5 965 1 1 12 THR HG22 H 2.587 6.410 1.357 1.00 . A A . 12 THR HG22 1 1
5 966 1 1 12 THR HG23 H 3.916 5.609 2.233 1.00 . A A . 12 THR HG23 1 1
5 967 1 1 12 THR N N 2.012 2.271 0.450 1.00 . A A . 12 THR N 1 1
5 968 1 1 12 THR O O 0.252 3.927 2.544 1.00 . A A . 12 THR O 1 1
5 969 1 1 12 THR OG1 O 4.477 3.851 0.288 1.00 . A A . 12 THR OG1 1 1
5 970 1 1 13 THR C C -2.158 4.585 -0.517 1.00 . A A . 13 THR C 1 1
5 971 1 1 13 THR CA C -1.248 5.282 0.543 1.00 . A A . 13 THR CA 1 1
5 972 1 1 13 THR CB C -1.284 6.843 0.510 1.00 . A A . 13 THR CB 1 1
5 973 1 1 13 THR CG2 C -0.692 7.516 1.760 1.00 . A A . 13 THR CG2 1 1
5 974 1 1 13 THR H H 0.713 4.951 -0.384 1.00 . A A . 13 THR H 1 1
5 975 1 1 13 THR HA H -1.686 4.997 1.520 1.00 . A A . 13 THR HA 1 1
5 976 1 1 13 THR HB H -2.342 7.154 0.453 1.00 . A A . 13 THR HB 1 1
5 977 1 1 13 THR HG1 H -1.263 7.369 -1.347 1.00 . A A . 13 THR HG1 1 1
5 978 1 1 13 THR HG21 H -1.203 7.185 2.683 1.00 . A A . 13 THR HG21 1 1
5 979 1 1 13 THR HG22 H 0.384 7.290 1.879 1.00 . A A . 13 THR HG22 1 1
5 980 1 1 13 THR HG23 H -0.791 8.616 1.709 1.00 . A A . 13 THR HG23 1 1
5 981 1 1 13 THR N N 0.134 4.735 0.433 1.00 . A A . 13 THR N 1 1
5 982 1 1 13 THR O O -3.028 3.797 -0.133 1.00 . A A . 13 THR O 1 1
5 983 1 1 13 THR OG1 O -0.617 7.368 -0.636 1.00 . A A . 13 THR OG1 1 1
5 984 1 1 14 ALA C C -1.875 3.986 -4.147 1.00 . A A . 14 ALA C 1 1
5 985 1 1 14 ALA CA C -2.770 4.253 -2.917 1.00 . A A . 14 ALA CA 1 1
5 986 1 1 14 ALA CB C -3.978 5.147 -3.258 1.00 . A A . 14 ALA CB 1 1
5 987 1 1 14 ALA H H -1.184 5.494 -2.020 1.00 . A A . 14 ALA H 1 1
5 988 1 1 14 ALA HXT H -0.787 4.928 -5.447 1.00 . A A . 14 ALA HXT 1 1
5 989 1 1 14 ALA HA H -3.165 3.270 -2.596 1.00 . A A . 14 ALA HA 1 1
5 990 1 1 14 ALA HB1 H -4.641 5.285 -2.383 1.00 . A A . 14 ALA HB1 1 1
5 991 1 1 14 ALA HB2 H -3.674 6.155 -3.599 1.00 . A A . 14 ALA HB2 1 1
5 992 1 1 14 ALA HB3 H -4.598 4.704 -4.059 1.00 . A A . 14 ALA HB3 1 1
5 993 1 1 14 ALA N N -1.964 4.857 -1.826 1.00 . A A . 14 ALA N 1 1
5 994 1 1 14 ALA O O -1.676 2.860 -4.598 1.00 . A A . 14 ALA O 1 1
5 995 1 1 14 ALA OXT O -1.330 5.128 -4.682 1.00 . A A . 14 ALA OXT 1 1
6 996 1 1 1 ACE C C 3.270 0.824 8.402 1.00 . A A . 1 ACE C 1 1
6 997 1 1 1 ACE CH3 C 4.189 1.979 8.784 1.00 . A A . 1 ACE CH3 1 1
6 998 1 1 1 ACE H1 H 3.782 2.948 8.441 1.00 . A A . 1 ACE H1 1 1
6 999 1 1 1 ACE H2 H 4.338 2.036 9.878 1.00 . A A . 1 ACE H2 1 1
6 1000 1 1 1 ACE H3 H 5.186 1.862 8.320 1.00 . A A . 1 ACE H3 1 1
6 1001 1 1 1 ACE O O 3.677 -0.080 7.669 1.00 . A A . 1 ACE O 1 1
6 1002 1 1 2 ILE C C 0.291 0.136 7.282 1.00 . A A . 2 ILE C 1 1
6 1003 1 1 2 ILE CA C 0.992 -0.163 8.641 1.00 . A A . 2 ILE CA 1 1
6 1004 1 1 2 ILE CB C 0.013 -0.415 9.848 1.00 . A A . 2 ILE CB 1 1
6 1005 1 1 2 ILE CD1 C -1.682 1.609 9.769 1.00 . A A . 2 ILE CD1 1 1
6 1006 1 1 2 ILE CG1 C -0.641 0.809 10.565 1.00 . A A . 2 ILE CG1 1 1
6 1007 1 1 2 ILE CG2 C 0.702 -1.292 10.925 1.00 . A A . 2 ILE CG2 1 1
6 1008 1 1 2 ILE H H 1.823 1.708 9.467 1.00 . A A . 2 ILE H 1 1
6 1009 1 1 2 ILE HA H 1.533 -1.121 8.498 1.00 . A A . 2 ILE HA 1 1
6 1010 1 1 2 ILE HB H -0.817 -1.038 9.465 1.00 . A A . 2 ILE HB 1 1
6 1011 1 1 2 ILE HD11 H -2.249 2.290 10.431 1.00 . A A . 2 ILE HD11 1 1
6 1012 1 1 2 ILE HD12 H -1.214 2.245 8.998 1.00 . A A . 2 ILE HD12 1 1
6 1013 1 1 2 ILE HD13 H -2.419 0.952 9.270 1.00 . A A . 2 ILE HD13 1 1
6 1014 1 1 2 ILE HG12 H -1.162 0.455 11.476 1.00 . A A . 2 ILE HG12 1 1
6 1015 1 1 2 ILE HG13 H 0.138 1.498 10.941 1.00 . A A . 2 ILE HG13 1 1
6 1016 1 1 2 ILE HG21 H 1.555 -0.772 11.401 1.00 . A A . 2 ILE HG21 1 1
6 1017 1 1 2 ILE HG22 H 0.004 -1.584 11.732 1.00 . A A . 2 ILE HG22 1 1
6 1018 1 1 2 ILE HG23 H 1.093 -2.236 10.500 1.00 . A A . 2 ILE HG23 1 1
6 1019 1 1 2 ILE N N 2.030 0.874 8.913 1.00 . A A . 2 ILE N 1 1
6 1020 1 1 2 ILE O O -0.180 1.249 7.029 1.00 . A A . 2 ILE O 1 1
6 1021 1 1 3 TRP C C -1.117 -2.060 4.723 1.00 . A A . 3 TRP C 1 1
6 1022 1 1 3 TRP CA C -0.332 -0.759 5.042 1.00 . A A . 3 TRP CA 1 1
6 1023 1 1 3 TRP CB C 0.762 -0.524 3.956 1.00 . A A . 3 TRP CB 1 1
6 1024 1 1 3 TRP CD1 C 1.286 2.028 4.306 1.00 . A A . 3 TRP CD1 1 1
6 1025 1 1 3 TRP CD2 C 3.065 0.697 4.323 1.00 . A A . 3 TRP CD2 1 1
6 1026 1 1 3 TRP CE2 C 3.467 2.035 4.565 1.00 . A A . 3 TRP CE2 1 1
6 1027 1 1 3 TRP CE3 C 4.024 -0.350 4.310 1.00 . A A . 3 TRP CE3 1 1
6 1028 1 1 3 TRP CG C 1.691 0.687 4.153 1.00 . A A . 3 TRP CG 1 1
6 1029 1 1 3 TRP CH2 C 5.760 1.295 4.772 1.00 . A A . 3 TRP CH2 1 1
6 1030 1 1 3 TRP CZ2 C 4.830 2.336 4.793 1.00 . A A . 3 TRP CZ2 1 1
6 1031 1 1 3 TRP CZ3 C 5.363 -0.027 4.533 1.00 . A A . 3 TRP CZ3 1 1
6 1032 1 1 3 TRP H H 0.627 -1.764 6.753 1.00 . A A . 3 TRP H 1 1
6 1033 1 1 3 TRP HA H -1.010 0.118 5.003 1.00 . A A . 3 TRP HA 1 1
6 1034 1 1 3 TRP HB2 H 1.375 -1.439 3.852 1.00 . A A . 3 TRP HB2 1 1
6 1035 1 1 3 TRP HB3 H 0.270 -0.413 2.973 1.00 . A A . 3 TRP HB3 1 1
6 1036 1 1 3 TRP HD1 H 0.254 2.344 4.328 1.00 . A A . 3 TRP HD1 1 1
6 1037 1 1 3 TRP HE1 H 2.354 3.891 4.746 1.00 . A A . 3 TRP HE1 1 1
6 1038 1 1 3 TRP HE3 H 3.733 -1.375 4.134 1.00 . A A . 3 TRP HE3 1 1
6 1039 1 1 3 TRP HH2 H 6.804 1.513 4.946 1.00 . A A . 3 TRP HH2 1 1
6 1040 1 1 3 TRP HZ2 H 5.148 3.351 4.986 1.00 . A A . 3 TRP HZ2 1 1
6 1041 1 1 3 TRP HZ3 H 6.106 -0.811 4.527 1.00 . A A . 3 TRP HZ3 1 1
6 1042 1 1 3 TRP N N 0.258 -0.879 6.400 1.00 . A A . 3 TRP N 1 1
6 1043 1 1 3 TRP NE1 N 2.373 2.882 4.560 1.00 . A A . 3 TRP NE1 1 1
6 1044 1 1 3 TRP O O -0.539 -3.153 4.671 1.00 . A A . 3 TRP O 1 1
6 1045 1 1 4 GLY C C -3.190 -3.461 2.654 1.00 . A A . 4 GLY C 1 1
6 1046 1 1 4 GLY CA C -3.311 -3.074 4.149 1.00 . A A . 4 GLY CA 1 1
6 1047 1 1 4 GLY H H -2.800 -0.989 4.667 1.00 . A A . 4 GLY H 1 1
6 1048 1 1 4 GLY HA2 H -3.142 -3.931 4.829 1.00 . A A . 4 GLY HA2 1 1
6 1049 1 1 4 GLY HA3 H -4.358 -2.769 4.361 1.00 . A A . 4 GLY HA3 1 1
6 1050 1 1 4 GLY N N -2.433 -1.928 4.487 1.00 . A A . 4 GLY N 1 1
6 1051 1 1 4 GLY O O -3.949 -2.924 1.842 1.00 . A A . 4 GLY O 1 1
6 1052 1 1 5 GLU C C -3.126 -5.777 0.348 1.00 . A A . 5 GLU C 1 1
6 1053 1 1 5 GLU CA C -2.057 -4.778 0.869 1.00 . A A . 5 GLU CA 1 1
6 1054 1 1 5 GLU CB C -0.610 -5.331 0.643 1.00 . A A . 5 GLU CB 1 1
6 1055 1 1 5 GLU CD C 0.814 -3.164 0.381 1.00 . A A . 5 GLU CD 1 1
6 1056 1 1 5 GLU CG C 0.275 -4.456 -0.272 1.00 . A A . 5 GLU CG 1 1
6 1057 1 1 5 GLU H H -1.585 -4.672 3.004 1.00 . A A . 5 GLU H 1 1
6 1058 1 1 5 GLU HA H -2.133 -3.846 0.268 1.00 . A A . 5 GLU HA 1 1
6 1059 1 1 5 GLU HB2 H -0.078 -5.525 1.596 1.00 . A A . 5 GLU HB2 1 1
6 1060 1 1 5 GLU HB3 H -0.643 -6.335 0.174 1.00 . A A . 5 GLU HB3 1 1
6 1061 1 1 5 GLU HG2 H 1.103 -5.090 -0.641 1.00 . A A . 5 GLU HG2 1 1
6 1062 1 1 5 GLU HG3 H -0.296 -4.192 -1.185 1.00 . A A . 5 GLU HG3 1 1
6 1063 1 1 5 GLU N N -2.260 -4.376 2.287 1.00 . A A . 5 GLU N 1 1
6 1064 1 1 5 GLU O O -3.159 -6.947 0.743 1.00 . A A . 5 GLU O 1 1
6 1065 1 1 5 GLU OE1 O 0.088 -2.470 1.099 1.00 . A A . 5 GLU OE1 1 1
6 1066 1 1 6 SER C C -5.460 -5.298 -2.471 1.00 . A A . 6 SER C 1 1
6 1067 1 1 6 SER CA C -5.058 -6.080 -1.191 1.00 . A A . 6 SER CA 1 1
6 1068 1 1 6 SER CB C -6.248 -6.344 -0.235 1.00 . A A . 6 SER CB 1 1
6 1069 1 1 6 SER H H -3.874 -4.279 -0.747 1.00 . A A . 6 SER H 1 1
6 1070 1 1 6 SER HA H -4.618 -7.057 -1.477 1.00 . A A . 6 SER HA 1 1
6 1071 1 1 6 SER HB2 H -5.904 -6.864 0.679 1.00 . A A . 6 SER HB2 1 1
6 1072 1 1 6 SER HB3 H -6.705 -5.397 0.110 1.00 . A A . 6 SER HB3 1 1
6 1073 1 1 6 SER HG H -7.591 -6.622 -1.591 1.00 . A A . 6 SER HG 1 1
6 1074 1 1 6 SER N N -3.992 -5.278 -0.548 1.00 . A A . 6 SER N 1 1
6 1075 1 1 6 SER O O -6.277 -4.372 -2.411 1.00 . A A . 6 SER O 1 1
6 1076 1 1 6 SER OG O -7.239 -7.148 -0.868 1.00 . A A . 6 SER OG 1 1
6 1077 1 1 7 GLY C C -4.062 -3.965 -5.343 1.00 . A A . 7 GLY C 1 1
6 1078 1 1 7 GLY CA C -5.142 -4.982 -4.912 1.00 . A A . 7 GLY CA 1 1
6 1079 1 1 7 GLY H H -4.143 -6.388 -3.526 1.00 . A A . 7 GLY H 1 1
6 1080 1 1 7 GLY HA2 H -5.228 -5.759 -5.695 1.00 . A A . 7 GLY HA2 1 1
6 1081 1 1 7 GLY HA3 H -6.132 -4.484 -4.915 1.00 . A A . 7 GLY HA3 1 1
6 1082 1 1 7 GLY N N -4.865 -5.664 -3.622 1.00 . A A . 7 GLY N 1 1
6 1083 1 1 7 GLY O O -3.512 -4.091 -6.440 1.00 . A A . 7 GLY O 1 1
6 1084 1 1 8 LYS C C -1.293 -2.450 -4.835 1.00 . A A . 8 LYS C 1 1
6 1085 1 1 8 LYS CA C -2.756 -1.908 -4.778 1.00 . A A . 8 LYS CA 1 1
6 1086 1 1 8 LYS CB C -2.917 -0.706 -3.805 1.00 . A A . 8 LYS CB 1 1
6 1087 1 1 8 LYS CD C -3.010 0.334 -1.456 1.00 . A A . 8 LYS CD 1 1
6 1088 1 1 8 LYS CE C -3.030 0.148 0.073 1.00 . A A . 8 LYS CE 1 1
6 1089 1 1 8 LYS CG C -2.731 -0.943 -2.282 1.00 . A A . 8 LYS CG 1 1
6 1090 1 1 8 LYS H H -4.309 -2.973 -3.618 1.00 . A A . 8 LYS H 1 1
6 1091 1 1 8 LYS HA H -3.019 -1.494 -5.774 1.00 . A A . 8 LYS HA 1 1
6 1092 1 1 8 LYS HB2 H -2.219 0.092 -4.123 1.00 . A A . 8 LYS HB2 1 1
6 1093 1 1 8 LYS HB3 H -3.921 -0.267 -3.972 1.00 . A A . 8 LYS HB3 1 1
6 1094 1 1 8 LYS HD2 H -2.291 1.129 -1.732 1.00 . A A . 8 LYS HD2 1 1
6 1095 1 1 8 LYS HD3 H -3.998 0.734 -1.753 1.00 . A A . 8 LYS HD3 1 1
6 1096 1 1 8 LYS HE2 H -3.496 1.038 0.538 1.00 . A A . 8 LYS HE2 1 1
6 1097 1 1 8 LYS HE3 H -3.681 -0.703 0.354 1.00 . A A . 8 LYS HE3 1 1
6 1098 1 1 8 LYS HG2 H -3.407 -1.753 -1.949 1.00 . A A . 8 LYS HG2 1 1
6 1099 1 1 8 LYS HG3 H -1.705 -1.304 -2.078 1.00 . A A . 8 LYS HG3 1 1
6 1100 1 1 8 LYS HZ1 H -1.228 -0.890 0.308 1.00 . A A . 8 LYS HZ1 1 1
6 1101 1 1 8 LYS HZ2 H -1.059 0.749 0.418 1.00 . A A . 8 LYS HZ2 1 1
6 1102 1 1 8 LYS HZ3 H -1.707 -0.105 1.673 1.00 . A A . 8 LYS HZ3 1 1
6 1103 1 1 8 LYS N N -3.771 -2.958 -4.491 1.00 . A A . 8 LYS N 1 1
6 1104 1 1 8 LYS NZ N -1.682 -0.034 0.649 1.00 . A A . 8 LYS NZ 1 1
6 1105 1 1 8 LYS O O -0.782 -3.022 -3.866 1.00 . A A . 8 LYS O 1 1
6 1106 1 1 9 LEU C C 1.943 -1.919 -5.544 1.00 . A A . 9 LEU C 1 1
6 1107 1 1 9 LEU CA C 0.770 -2.691 -6.239 1.00 . A A . 9 LEU CA 1 1
6 1108 1 1 9 LEU CB C 0.983 -2.904 -7.771 1.00 . A A . 9 LEU CB 1 1
6 1109 1 1 9 LEU CD1 C -0.327 -0.966 -8.933 1.00 . A A . 9 LEU CD1 1 1
6 1110 1 1 9 LEU CD2 C 2.176 -0.744 -8.621 1.00 . A A . 9 LEU CD2 1 1
6 1111 1 1 9 LEU CG C 1.005 -1.728 -8.796 1.00 . A A . 9 LEU CG 1 1
6 1112 1 1 9 LEU H H -1.188 -1.793 -6.727 1.00 . A A . 9 LEU H 1 1
6 1113 1 1 9 LEU HA H 0.847 -3.709 -5.816 1.00 . A A . 9 LEU HA 1 1
6 1114 1 1 9 LEU HB2 H 1.931 -3.462 -7.897 1.00 . A A . 9 LEU HB2 1 1
6 1115 1 1 9 LEU HB3 H 0.225 -3.633 -8.120 1.00 . A A . 9 LEU HB3 1 1
6 1116 1 1 9 LEU HD11 H -0.315 -0.281 -9.802 1.00 . A A . 9 LEU HD11 1 1
6 1117 1 1 9 LEU HD12 H -1.179 -1.655 -9.084 1.00 . A A . 9 LEU HD12 1 1
6 1118 1 1 9 LEU HD13 H -0.550 -0.350 -8.043 1.00 . A A . 9 LEU HD13 1 1
6 1119 1 1 9 LEU HD21 H 3.144 -1.271 -8.532 1.00 . A A . 9 LEU HD21 1 1
6 1120 1 1 9 LEU HD22 H 2.264 -0.058 -9.485 1.00 . A A . 9 LEU HD22 1 1
6 1121 1 1 9 LEU HD23 H 2.062 -0.112 -7.721 1.00 . A A . 9 LEU HD23 1 1
6 1122 1 1 9 LEU HG H 1.171 -2.218 -9.773 1.00 . A A . 9 LEU HG 1 1
6 1123 1 1 9 LEU N N -0.635 -2.245 -5.991 1.00 . A A . 9 LEU N 1 1
6 1124 1 1 9 LEU O O 3.098 -2.331 -5.693 1.00 . A A . 9 LEU O 1 1
6 1125 1 1 10 ILE C C 2.088 0.192 -2.652 1.00 . A A . 10 ILE C 1 1
6 1126 1 1 10 ILE CA C 2.681 -0.020 -4.085 1.00 . A A . 10 ILE CA 1 1
6 1127 1 1 10 ILE CB C 3.114 1.280 -4.852 1.00 . A A . 10 ILE CB 1 1
6 1128 1 1 10 ILE CD1 C 5.579 1.227 -3.978 1.00 . A A . 10 ILE CD1 1 1
6 1129 1 1 10 ILE CG1 C 4.289 2.042 -4.170 1.00 . A A . 10 ILE CG1 1 1
6 1130 1 1 10 ILE CG2 C 1.977 2.284 -5.165 1.00 . A A . 10 ILE CG2 1 1
6 1131 1 1 10 ILE H H 0.678 -0.723 -4.578 1.00 . A A . 10 ILE H 1 1
6 1132 1 1 10 ILE HA H 3.606 -0.626 -4.043 1.00 . A A . 10 ILE HA 1 1
6 1133 1 1 10 ILE HB H 3.494 0.945 -5.837 1.00 . A A . 10 ILE HB 1 1
6 1134 1 1 10 ILE HD11 H 5.917 0.767 -4.925 1.00 . A A . 10 ILE HD11 1 1
6 1135 1 1 10 ILE HD12 H 6.400 1.861 -3.602 1.00 . A A . 10 ILE HD12 1 1
6 1136 1 1 10 ILE HD13 H 5.444 0.411 -3.243 1.00 . A A . 10 ILE HD13 1 1
6 1137 1 1 10 ILE HG12 H 4.546 2.935 -4.773 1.00 . A A . 10 ILE HG12 1 1
6 1138 1 1 10 ILE HG13 H 3.968 2.441 -3.189 1.00 . A A . 10 ILE HG13 1 1
6 1139 1 1 10 ILE HG21 H 1.129 1.799 -5.681 1.00 . A A . 10 ILE HG21 1 1
6 1140 1 1 10 ILE HG22 H 1.579 2.759 -4.250 1.00 . A A . 10 ILE HG22 1 1
6 1141 1 1 10 ILE HG23 H 2.323 3.100 -5.827 1.00 . A A . 10 ILE HG23 1 1
6 1142 1 1 10 ILE N N 1.668 -0.826 -4.807 1.00 . A A . 10 ILE N 1 1
6 1143 1 1 10 ILE O O 1.068 0.875 -2.490 1.00 . A A . 10 ILE O 1 1
6 1144 1 1 11 . C C 2.698 -1.561 0.573 1.00 . A A . 11 SET C 1 1
6 1145 1 1 11 . CA C 2.256 -0.282 -0.204 1.00 . A A . 11 SET CA 1 1
6 1146 1 1 11 . CB C 2.763 1.040 0.463 1.00 . A A . 11 SET CB 1 1
6 1147 1 1 11 . H H 3.451 -1.065 -1.841 1.00 . A A . 11 SET H 1 1
6 1148 1 1 11 . HA H 1.147 -0.317 -0.167 1.00 . A A . 11 SET HA 1 1
6 1149 1 1 11 . HB2 H 3.799 -1.669 0.532 1.00 . A A . 11 SET HB2 1 1
6 1150 1 1 11 . HB3 H 2.480 -1.436 1.652 1.00 . A A . 11 SET HB3 1 1
6 1151 1 1 11 . HNT2 H 2.581 -3.474 -0.525 1.00 . A A . 11 SET HNT2 1 1
6 1152 1 1 11 . N N 2.722 -0.389 -1.614 1.00 . A A . 11 SET N 1 1
6 1153 1 1 11 . NT N 2.081 -2.827 0.096 1.00 . A A . 11 SET NT 1 1
6 1154 1 1 11 . OG O 3.709 1.022 1.257 1.00 . A A . 11 SET OG 1 1
6 1155 1 1 12 THR C C 1.182 4.290 0.937 1.00 . A A . 12 THR C 1 1
6 1156 1 1 12 THR CA C 2.515 3.519 0.686 1.00 . A A . 12 THR CA 1 1
6 1157 1 1 12 THR CB C 3.589 4.250 -0.187 1.00 . A A . 12 THR CB 1 1
6 1158 1 1 12 THR CG2 C 4.084 5.575 0.419 1.00 . A A . 12 THR CG2 1 1
6 1159 1 1 12 THR H H 1.606 2.153 -0.753 1.00 . A A . 12 THR H 1 1
6 1160 1 1 12 THR HA H 2.969 3.370 1.687 1.00 . A A . 12 THR HA 1 1
6 1161 1 1 12 THR HB H 3.170 4.459 -1.190 1.00 . A A . 12 THR HB 1 1
6 1162 1 1 12 THR HG1 H 5.031 3.184 0.520 1.00 . A A . 12 THR HG1 1 1
6 1163 1 1 12 THR HG21 H 4.855 6.043 -0.219 1.00 . A A . 12 THR HG21 1 1
6 1164 1 1 12 THR HG22 H 3.266 6.310 0.526 1.00 . A A . 12 THR HG22 1 1
6 1165 1 1 12 THR HG23 H 4.530 5.428 1.420 1.00 . A A . 12 THR HG23 1 1
6 1166 1 1 12 THR N N 2.145 2.191 0.120 1.00 . A A . 12 THR N 1 1
6 1167 1 1 12 THR O O 0.732 4.345 2.085 1.00 . A A . 12 THR O 1 1
6 1168 1 1 12 THR OG1 O 4.738 3.426 -0.362 1.00 . A A . 12 THR OG1 1 1
6 1169 1 1 13 THR C C -1.757 5.055 -1.017 1.00 . A A . 13 THR C 1 1
6 1170 1 1 13 THR CA C -0.731 5.619 0.013 1.00 . A A . 13 THR CA 1 1
6 1171 1 1 13 THR CB C -0.525 7.167 -0.052 1.00 . A A . 13 THR CB 1 1
6 1172 1 1 13 THR CG2 C 0.130 7.777 1.199 1.00 . A A . 13 THR CG2 1 1
6 1173 1 1 13 THR H H 1.062 4.860 -0.994 1.00 . A A . 13 THR H 1 1
6 1174 1 1 13 THR HA H -1.191 5.416 1.002 1.00 . A A . 13 THR HA 1 1
6 1175 1 1 13 THR HB H -1.521 7.630 -0.154 1.00 . A A . 13 THR HB 1 1
6 1176 1 1 13 THR HG1 H 1.153 7.323 -0.981 1.00 . A A . 13 THR HG1 1 1
6 1177 1 1 13 THR HG21 H -0.455 7.558 2.112 1.00 . A A . 13 THR HG21 1 1
6 1178 1 1 13 THR HG22 H 1.152 7.390 1.363 1.00 . A A . 13 THR HG22 1 1
6 1179 1 1 13 THR HG23 H 0.205 8.877 1.117 1.00 . A A . 13 THR HG23 1 1
6 1180 1 1 13 THR N N 0.550 4.867 -0.108 1.00 . A A . 13 THR N 1 1
6 1181 1 1 13 THR O O -2.676 4.333 -0.615 1.00 . A A . 13 THR O 1 1
6 1182 1 1 13 THR OG1 O 0.244 7.552 -1.189 1.00 . A A . 13 THR OG1 1 1
6 1183 1 1 14 ALA C C -2.355 3.377 -3.757 1.00 . A A . 14 ALA C 1 1
6 1184 1 1 14 ALA CA C -2.522 4.871 -3.388 1.00 . A A . 14 ALA CA 1 1
6 1185 1 1 14 ALA CB C -2.340 5.766 -4.627 1.00 . A A . 14 ALA CB 1 1
6 1186 1 1 14 ALA H H -0.819 5.983 -2.530 1.00 . A A . 14 ALA H 1 1
6 1187 1 1 14 ALA HXT H -0.976 2.075 -4.172 1.00 . A A . 14 ALA HXT 1 1
6 1188 1 1 14 ALA HA H -3.564 5.012 -3.040 1.00 . A A . 14 ALA HA 1 1
6 1189 1 1 14 ALA HB1 H -2.525 6.832 -4.396 1.00 . A A . 14 ALA HB1 1 1
6 1190 1 1 14 ALA HB2 H -1.320 5.694 -5.053 1.00 . A A . 14 ALA HB2 1 1
6 1191 1 1 14 ALA HB3 H -3.047 5.493 -5.433 1.00 . A A . 14 ALA HB3 1 1
6 1192 1 1 14 ALA N N -1.600 5.350 -2.326 1.00 . A A . 14 ALA N 1 1
6 1193 1 1 14 ALA O O -3.309 2.610 -3.875 1.00 . A A . 14 ALA O 1 1
6 1194 1 1 14 ALA OXT O -1.047 3.005 -3.946 1.00 . A A . 14 ALA OXT 1 1
7 1195 1 1 1 ACE C C 2.155 1.273 8.407 1.00 . A A . 1 ACE C 1 1
7 1196 1 1 1 ACE CH3 C 3.163 2.362 8.758 1.00 . A A . 1 ACE CH3 1 1
7 1197 1 1 1 ACE H1 H 2.885 3.329 8.301 1.00 . A A . 1 ACE H1 1 1
7 1198 1 1 1 ACE H2 H 3.243 2.507 9.851 1.00 . A A . 1 ACE H2 1 1
7 1199 1 1 1 ACE H3 H 4.171 2.103 8.384 1.00 . A A . 1 ACE H3 1 1
7 1200 1 1 1 ACE O O 2.509 0.276 7.773 1.00 . A A . 1 ACE O 1 1
7 1201 1 1 2 ILE C C -0.815 0.849 7.168 1.00 . A A . 2 ILE C 1 1
7 1202 1 1 2 ILE CA C -0.222 0.532 8.571 1.00 . A A . 2 ILE CA 1 1
7 1203 1 1 2 ILE CB C -1.283 0.465 9.729 1.00 . A A . 2 ILE CB 1 1
7 1204 1 1 2 ILE CD1 C -3.347 2.044 9.441 1.00 . A A . 2 ILE CD1 1 1
7 1205 1 1 2 ILE CG1 C -1.993 1.800 10.127 1.00 . A A . 2 ILE CG1 1 1
7 1206 1 1 2 ILE CG2 C -0.707 -0.237 10.986 1.00 . A A . 2 ILE CG2 1 1
7 1207 1 1 2 ILE H H 0.733 2.408 9.241 1.00 . A A . 2 ILE H 1 1
7 1208 1 1 2 ILE HA H 0.214 -0.486 8.517 1.00 . A A . 2 ILE HA 1 1
7 1209 1 1 2 ILE HB H -2.067 -0.230 9.377 1.00 . A A . 2 ILE HB 1 1
7 1210 1 1 2 ILE HD11 H -3.794 2.999 9.773 1.00 . A A . 2 ILE HD11 1 1
7 1211 1 1 2 ILE HD12 H -3.263 2.094 8.341 1.00 . A A . 2 ILE HD12 1 1
7 1212 1 1 2 ILE HD13 H -4.073 1.245 9.680 1.00 . A A . 2 ILE HD13 1 1
7 1213 1 1 2 ILE HG12 H -2.184 1.834 11.217 1.00 . A A . 2 ILE HG12 1 1
7 1214 1 1 2 ILE HG13 H -1.329 2.665 9.943 1.00 . A A . 2 ILE HG13 1 1
7 1215 1 1 2 ILE HG21 H 0.094 0.354 11.466 1.00 . A A . 2 ILE HG21 1 1
7 1216 1 1 2 ILE HG22 H -1.487 -0.412 11.751 1.00 . A A . 2 ILE HG22 1 1
7 1217 1 1 2 ILE HG23 H -0.283 -1.230 10.746 1.00 . A A . 2 ILE HG23 1 1
7 1218 1 1 2 ILE N N 0.900 1.484 8.833 1.00 . A A . 2 ILE N 1 1
7 1219 1 1 2 ILE O O -1.225 1.982 6.894 1.00 . A A . 2 ILE O 1 1
7 1220 1 1 3 TRP C C -2.161 -1.257 4.499 1.00 . A A . 3 TRP C 1 1
7 1221 1 1 3 TRP CA C -1.316 -0.016 4.889 1.00 . A A . 3 TRP CA 1 1
7 1222 1 1 3 TRP CB C -0.125 0.144 3.896 1.00 . A A . 3 TRP CB 1 1
7 1223 1 1 3 TRP CD1 C 0.388 2.697 4.262 1.00 . A A . 3 TRP CD1 1 1
7 1224 1 1 3 TRP CD2 C 2.165 1.364 4.330 1.00 . A A . 3 TRP CD2 1 1
7 1225 1 1 3 TRP CE2 C 2.559 2.701 4.593 1.00 . A A . 3 TRP CE2 1 1
7 1226 1 1 3 TRP CE3 C 3.122 0.316 4.360 1.00 . A A . 3 TRP CE3 1 1
7 1227 1 1 3 TRP CG C 0.798 1.355 4.116 1.00 . A A . 3 TRP CG 1 1
7 1228 1 1 3 TRP CH2 C 4.841 1.958 4.890 1.00 . A A . 3 TRP CH2 1 1
7 1229 1 1 3 TRP CZ2 C 3.912 3.001 4.875 1.00 . A A . 3 TRP CZ2 1 1
7 1230 1 1 3 TRP CZ3 C 4.451 0.637 4.637 1.00 . A A . 3 TRP CZ3 1 1
7 1231 1 1 3 TRP H H -0.561 -1.078 6.657 1.00 . A A . 3 TRP H 1 1
7 1232 1 1 3 TRP HA H -1.925 0.905 4.801 1.00 . A A . 3 TRP HA 1 1
7 1233 1 1 3 TRP HB2 H 0.476 -0.785 3.899 1.00 . A A . 3 TRP HB2 1 1
7 1234 1 1 3 TRP HB3 H -0.517 0.208 2.864 1.00 . A A . 3 TRP HB3 1 1
7 1235 1 1 3 TRP HD1 H -0.645 3.008 4.270 1.00 . A A . 3 TRP HD1 1 1
7 1236 1 1 3 TRP HE1 H 1.444 4.556 4.752 1.00 . A A . 3 TRP HE1 1 1
7 1237 1 1 3 TRP HE3 H 2.836 -0.709 4.175 1.00 . A A . 3 TRP HE3 1 1
7 1238 1 1 3 TRP HH2 H 5.877 2.174 5.106 1.00 . A A . 3 TRP HH2 1 1
7 1239 1 1 3 TRP HZ2 H 4.222 4.014 5.083 1.00 . A A . 3 TRP HZ2 1 1
7 1240 1 1 3 TRP HZ3 H 5.192 -0.149 4.662 1.00 . A A . 3 TRP HZ3 1 1
7 1241 1 1 3 TRP N N -0.829 -0.165 6.283 1.00 . A A . 3 TRP N 1 1
7 1242 1 1 3 TRP NE1 N 1.464 3.547 4.563 1.00 . A A . 3 TRP NE1 1 1
7 1243 1 1 3 TRP O O -1.664 -2.389 4.502 1.00 . A A . 3 TRP O 1 1
7 1244 1 1 4 GLY C C -4.136 -2.457 2.217 1.00 . A A . 4 GLY C 1 1
7 1245 1 1 4 GLY CA C -4.361 -2.100 3.708 1.00 . A A . 4 GLY CA 1 1
7 1246 1 1 4 GLY H H -3.740 -0.057 4.277 1.00 . A A . 4 GLY H 1 1
7 1247 1 1 4 GLY HA2 H -4.307 -2.982 4.374 1.00 . A A . 4 GLY HA2 1 1
7 1248 1 1 4 GLY HA3 H -5.399 -1.726 3.841 1.00 . A A . 4 GLY HA3 1 1
7 1249 1 1 4 GLY N N -3.435 -1.025 4.142 1.00 . A A . 4 GLY N 1 1
7 1250 1 1 4 GLY O O -4.830 -1.904 1.360 1.00 . A A . 4 GLY O 1 1
7 1251 1 1 5 GLU C C -3.953 -4.637 -0.177 1.00 . A A . 5 GLU C 1 1
7 1252 1 1 5 GLU CA C -2.868 -3.754 0.502 1.00 . A A . 5 GLU CA 1 1
7 1253 1 1 5 GLU CB C -1.459 -4.432 0.419 1.00 . A A . 5 GLU CB 1 1
7 1254 1 1 5 GLU CD C 0.115 -2.374 0.162 1.00 . A A . 5 GLU CD 1 1
7 1255 1 1 5 GLU CG C -0.428 -3.681 -0.453 1.00 . A A . 5 GLU CG 1 1
7 1256 1 1 5 GLU H H -2.574 -3.674 2.676 1.00 . A A . 5 GLU H 1 1
7 1257 1 1 5 GLU HA H -2.801 -2.797 -0.057 1.00 . A A . 5 GLU HA 1 1
7 1258 1 1 5 GLU HB2 H -1.017 -4.617 1.418 1.00 . A A . 5 GLU HB2 1 1
7 1259 1 1 5 GLU HB3 H -1.542 -5.455 -0.002 1.00 . A A . 5 GLU HB3 1 1
7 1260 1 1 5 GLU HG2 H 0.397 -4.379 -0.697 1.00 . A A . 5 GLU HG2 1 1
7 1261 1 1 5 GLU HG3 H -0.883 -3.447 -1.435 1.00 . A A . 5 GLU HG3 1 1
7 1262 1 1 5 GLU N N -3.185 -3.371 1.906 1.00 . A A . 5 GLU N 1 1
7 1263 1 1 5 GLU O O -4.276 -5.731 0.297 1.00 . A A . 5 GLU O 1 1
7 1264 1 1 5 GLU OE1 O -0.645 -1.422 0.369 1.00 . A A . 5 GLU OE1 1 1
7 1265 1 1 6 SER C C -5.408 -4.304 -3.556 1.00 . A A . 6 SER C 1 1
7 1266 1 1 6 SER CA C -5.521 -4.839 -2.101 1.00 . A A . 6 SER CA 1 1
7 1267 1 1 6 SER CB C -6.933 -4.644 -1.495 1.00 . A A . 6 SER CB 1 1
7 1268 1 1 6 SER H H -4.152 -3.202 -1.562 1.00 . A A . 6 SER H 1 1
7 1269 1 1 6 SER HA H -5.299 -5.926 -2.090 1.00 . A A . 6 SER HA 1 1
7 1270 1 1 6 SER HB2 H -6.949 -4.970 -0.438 1.00 . A A . 6 SER HB2 1 1
7 1271 1 1 6 SER HB3 H -7.224 -3.576 -1.490 1.00 . A A . 6 SER HB3 1 1
7 1272 1 1 6 SER HG H -8.745 -5.236 -1.795 1.00 . A A . 6 SER HG 1 1
7 1273 1 1 6 SER N N -4.492 -4.134 -1.302 1.00 . A A . 6 SER N 1 1
7 1274 1 1 6 SER O O -5.860 -3.192 -3.854 1.00 . A A . 6 SER O 1 1
7 1275 1 1 6 SER OG O -7.899 -5.399 -2.220 1.00 . A A . 6 SER OG 1 1
7 1276 1 1 7 GLY C C -3.193 -4.178 -6.218 1.00 . A A . 7 GLY C 1 1
7 1277 1 1 7 GLY CA C -4.599 -4.703 -5.869 1.00 . A A . 7 GLY CA 1 1
7 1278 1 1 7 GLY H H -4.397 -5.963 -4.064 1.00 . A A . 7 GLY H 1 1
7 1279 1 1 7 GLY HA2 H -4.805 -5.594 -6.491 1.00 . A A . 7 GLY HA2 1 1
7 1280 1 1 7 GLY HA3 H -5.362 -3.968 -6.196 1.00 . A A . 7 GLY HA3 1 1
7 1281 1 1 7 GLY N N -4.779 -5.092 -4.448 1.00 . A A . 7 GLY N 1 1
7 1282 1 1 7 GLY O O -2.448 -4.853 -6.933 1.00 . A A . 7 GLY O 1 1
7 1283 1 1 8 LYS C C -0.313 -3.052 -5.307 1.00 . A A . 8 LYS C 1 1
7 1284 1 1 8 LYS CA C -1.521 -2.339 -5.994 1.00 . A A . 8 LYS CA 1 1
7 1285 1 1 8 LYS CB C -1.575 -0.816 -5.684 1.00 . A A . 8 LYS CB 1 1
7 1286 1 1 8 LYS CD C -1.839 1.160 -4.063 1.00 . A A . 8 LYS CD 1 1
7 1287 1 1 8 LYS CE C -2.107 1.674 -2.635 1.00 . A A . 8 LYS CE 1 1
7 1288 1 1 8 LYS CG C -1.786 -0.377 -4.213 1.00 . A A . 8 LYS CG 1 1
7 1289 1 1 8 LYS H H -3.553 -2.530 -5.134 1.00 . A A . 8 LYS H 1 1
7 1290 1 1 8 LYS HA H -1.379 -2.393 -7.093 1.00 . A A . 8 LYS HA 1 1
7 1291 1 1 8 LYS HB2 H -0.639 -0.356 -6.057 1.00 . A A . 8 LYS HB2 1 1
7 1292 1 1 8 LYS HB3 H -2.368 -0.361 -6.309 1.00 . A A . 8 LYS HB3 1 1
7 1293 1 1 8 LYS HD2 H -0.907 1.611 -4.456 1.00 . A A . 8 LYS HD2 1 1
7 1294 1 1 8 LYS HD3 H -2.641 1.550 -4.719 1.00 . A A . 8 LYS HD3 1 1
7 1295 1 1 8 LYS HE2 H -2.327 2.759 -2.675 1.00 . A A . 8 LYS HE2 1 1
7 1296 1 1 8 LYS HE3 H -3.020 1.206 -2.216 1.00 . A A . 8 LYS HE3 1 1
7 1297 1 1 8 LYS HG2 H -2.720 -0.822 -3.820 1.00 . A A . 8 LYS HG2 1 1
7 1298 1 1 8 LYS HG3 H -0.972 -0.784 -3.583 1.00 . A A . 8 LYS HG3 1 1
7 1299 1 1 8 LYS HZ1 H -1.090 1.930 -0.824 1.00 . A A . 8 LYS HZ1 1 1
7 1300 1 1 8 LYS HZ2 H -0.823 0.458 -1.523 1.00 . A A . 8 LYS HZ2 1 1
7 1301 1 1 8 LYS HZ3 H -0.085 1.800 -2.130 1.00 . A A . 8 LYS HZ3 1 1
7 1302 1 1 8 LYS N N -2.841 -2.975 -5.723 1.00 . A A . 8 LYS N 1 1
7 1303 1 1 8 LYS NZ N -0.963 1.455 -1.726 1.00 . A A . 8 LYS NZ 1 1
7 1304 1 1 8 LYS O O -0.333 -3.333 -4.104 1.00 . A A . 8 LYS O 1 1
7 1305 1 1 9 LEU C C 3.038 -3.146 -4.813 1.00 . A A . 9 LEU C 1 1
7 1306 1 1 9 LEU CA C 1.990 -3.985 -5.624 1.00 . A A . 9 LEU CA 1 1
7 1307 1 1 9 LEU CB C 2.616 -4.793 -6.805 1.00 . A A . 9 LEU CB 1 1
7 1308 1 1 9 LEU CD1 C 2.265 -3.326 -8.937 1.00 . A A . 9 LEU CD1 1 1
7 1309 1 1 9 LEU CD2 C 4.509 -3.272 -7.764 1.00 . A A . 9 LEU CD2 1 1
7 1310 1 1 9 LEU CG C 3.253 -4.115 -8.057 1.00 . A A . 9 LEU CG 1 1
7 1311 1 1 9 LEU H H 0.619 -3.051 -7.082 1.00 . A A . 9 LEU H 1 1
7 1312 1 1 9 LEU HA H 1.674 -4.766 -4.908 1.00 . A A . 9 LEU HA 1 1
7 1313 1 1 9 LEU HB2 H 3.385 -5.463 -6.373 1.00 . A A . 9 LEU HB2 1 1
7 1314 1 1 9 LEU HB3 H 1.851 -5.508 -7.169 1.00 . A A . 9 LEU HB3 1 1
7 1315 1 1 9 LEU HD11 H 2.723 -3.039 -9.902 1.00 . A A . 9 LEU HD11 1 1
7 1316 1 1 9 LEU HD12 H 1.365 -3.922 -9.176 1.00 . A A . 9 LEU HD12 1 1
7 1317 1 1 9 LEU HD13 H 1.927 -2.391 -8.452 1.00 . A A . 9 LEU HD13 1 1
7 1318 1 1 9 LEU HD21 H 5.239 -3.827 -7.146 1.00 . A A . 9 LEU HD21 1 1
7 1319 1 1 9 LEU HD22 H 5.032 -2.984 -8.694 1.00 . A A . 9 LEU HD22 1 1
7 1320 1 1 9 LEU HD23 H 4.268 -2.335 -7.228 1.00 . A A . 9 LEU HD23 1 1
7 1321 1 1 9 LEU HG H 3.600 -4.959 -8.681 1.00 . A A . 9 LEU HG 1 1
7 1322 1 1 9 LEU N N 0.744 -3.311 -6.098 1.00 . A A . 9 LEU N 1 1
7 1323 1 1 9 LEU O O 4.060 -3.709 -4.411 1.00 . A A . 9 LEU O 1 1
7 1324 1 1 10 ILE C C 2.824 -0.259 -2.726 1.00 . A A . 10 ILE C 1 1
7 1325 1 1 10 ILE CA C 3.720 -0.952 -3.806 1.00 . A A . 10 ILE CA 1 1
7 1326 1 1 10 ILE CB C 4.567 0.002 -4.720 1.00 . A A . 10 ILE CB 1 1
7 1327 1 1 10 ILE CD1 C 6.698 -0.094 -3.205 1.00 . A A . 10 ILE CD1 1 1
7 1328 1 1 10 ILE CG1 C 5.671 0.781 -3.947 1.00 . A A . 10 ILE CG1 1 1
7 1329 1 1 10 ILE CG2 C 3.751 0.993 -5.588 1.00 . A A . 10 ILE CG2 1 1
7 1330 1 1 10 ILE H H 1.842 -1.550 -4.737 1.00 . A A . 10 ILE H 1 1
7 1331 1 1 10 ILE HA H 4.479 -1.601 -3.329 1.00 . A A . 10 ILE HA 1 1
7 1332 1 1 10 ILE HB H 5.101 -0.650 -5.439 1.00 . A A . 10 ILE HB 1 1
7 1333 1 1 10 ILE HD11 H 7.146 -0.855 -3.871 1.00 . A A . 10 ILE HD11 1 1
7 1334 1 1 10 ILE HD12 H 7.520 0.514 -2.791 1.00 . A A . 10 ILE HD12 1 1
7 1335 1 1 10 ILE HD13 H 6.242 -0.632 -2.352 1.00 . A A . 10 ILE HD13 1 1
7 1336 1 1 10 ILE HG12 H 6.231 1.423 -4.654 1.00 . A A . 10 ILE HG12 1 1
7 1337 1 1 10 ILE HG13 H 5.209 1.483 -3.226 1.00 . A A . 10 ILE HG13 1 1
7 1338 1 1 10 ILE HG21 H 2.985 0.475 -6.193 1.00 . A A . 10 ILE HG21 1 1
7 1339 1 1 10 ILE HG22 H 3.229 1.753 -4.978 1.00 . A A . 10 ILE HG22 1 1
7 1340 1 1 10 ILE HG23 H 4.397 1.539 -6.301 1.00 . A A . 10 ILE HG23 1 1
7 1341 1 1 10 ILE N N 2.807 -1.839 -4.571 1.00 . A A . 10 ILE N 1 1
7 1342 1 1 10 ILE O O 1.942 0.542 -3.061 1.00 . A A . 10 ILE O 1 1
7 1343 1 1 11 . C C 2.121 -1.065 0.814 1.00 . A A . 11 SET C 1 1
7 1344 1 1 11 . CA C 2.247 0.006 -0.313 1.00 . A A . 11 SET CA 1 1
7 1345 1 1 11 . CB C 2.777 1.382 0.200 1.00 . A A . 11 SET CB 1 1
7 1346 1 1 11 . H H 3.648 -1.364 -1.253 1.00 . A A . 11 SET H 1 1
7 1347 1 1 11 . HA H 1.198 0.142 -0.644 1.00 . A A . 11 SET HA 1 1
7 1348 1 1 11 . HB2 H 3.123 -1.323 1.207 1.00 . A A . 11 SET HB2 1 1
7 1349 1 1 11 . HB3 H 1.589 -0.632 1.682 1.00 . A A . 11 SET HB3 1 1
7 1350 1 1 11 . HNT2 H 1.967 -3.165 0.168 1.00 . A A . 11 SET HNT2 1 1
7 1351 1 1 11 . N N 3.053 -0.555 -1.432 1.00 . A A . 11 SET N 1 1
7 1352 1 1 11 . NT N 1.436 -2.319 0.404 1.00 . A A . 11 SET NT 1 1
7 1353 1 1 11 . OG O 3.341 1.474 1.295 1.00 . A A . 11 SET OG 1 1
7 1354 1 1 12 THR C C 1.952 4.487 0.758 1.00 . A A . 12 THR C 1 1
7 1355 1 1 12 THR CA C 3.006 3.840 -0.203 1.00 . A A . 12 THR CA 1 1
7 1356 1 1 12 THR CB C 3.324 4.678 -1.481 1.00 . A A . 12 THR CB 1 1
7 1357 1 1 12 THR CG2 C 3.893 6.079 -1.194 1.00 . A A . 12 THR CG2 1 1
7 1358 1 1 12 THR H H 2.381 2.264 -1.575 1.00 . A A . 12 THR H 1 1
7 1359 1 1 12 THR HA H 3.959 3.766 0.361 1.00 . A A . 12 THR HA 1 1
7 1360 1 1 12 THR HB H 2.402 4.797 -2.082 1.00 . A A . 12 THR HB 1 1
7 1361 1 1 12 THR HG1 H 4.513 4.613 -2.997 1.00 . A A . 12 THR HG1 1 1
7 1362 1 1 12 THR HG21 H 4.117 6.624 -2.129 1.00 . A A . 12 THR HG21 1 1
7 1363 1 1 12 THR HG22 H 3.183 6.703 -0.622 1.00 . A A . 12 THR HG22 1 1
7 1364 1 1 12 THR HG23 H 4.831 6.028 -0.611 1.00 . A A . 12 THR HG23 1 1
7 1365 1 1 12 THR N N 2.579 2.462 -0.588 1.00 . A A . 12 THR N 1 1
7 1366 1 1 12 THR O O 2.315 4.860 1.875 1.00 . A A . 12 THR O 1 1
7 1367 1 1 12 THR OG1 O 4.291 4.007 -2.286 1.00 . A A . 12 THR OG1 1 1
7 1368 1 1 13 THR C C -1.705 4.370 0.886 1.00 . A A . 13 THR C 1 1
7 1369 1 1 13 THR CA C -0.417 5.211 1.142 1.00 . A A . 13 THR CA 1 1
7 1370 1 1 13 THR CB C -0.661 6.719 0.828 1.00 . A A . 13 THR CB 1 1
7 1371 1 1 13 THR CG2 C 0.418 7.670 1.371 1.00 . A A . 13 THR CG2 1 1
7 1372 1 1 13 THR H H 0.519 4.390 -0.657 1.00 . A A . 13 THR H 1 1
7 1373 1 1 13 THR HA H -0.157 5.136 2.218 1.00 . A A . 13 THR HA 1 1
7 1374 1 1 13 THR HB H -1.611 7.007 1.307 1.00 . A A . 13 THR HB 1 1
7 1375 1 1 13 THR HG1 H 0.068 6.818 -0.950 1.00 . A A . 13 THR HG1 1 1
7 1376 1 1 13 THR HG21 H 1.405 7.485 0.910 1.00 . A A . 13 THR HG21 1 1
7 1377 1 1 13 THR HG22 H 0.158 8.726 1.174 1.00 . A A . 13 THR HG22 1 1
7 1378 1 1 13 THR HG23 H 0.541 7.564 2.465 1.00 . A A . 13 THR HG23 1 1
7 1379 1 1 13 THR N N 0.680 4.628 0.325 1.00 . A A . 13 THR N 1 1
7 1380 1 1 13 THR O O -2.166 4.251 -0.256 1.00 . A A . 13 THR O 1 1
7 1381 1 1 13 THR OG1 O -0.803 6.956 -0.571 1.00 . A A . 13 THR OG1 1 1
7 1382 1 1 14 ALA C C -4.244 3.035 3.225 1.00 . A A . 14 ALA C 1 1
7 1383 1 1 14 ALA CA C -3.513 2.964 1.868 1.00 . A A . 14 ALA CA 1 1
7 1384 1 1 14 ALA CB C -3.211 1.507 1.464 1.00 . A A . 14 ALA CB 1 1
7 1385 1 1 14 ALA H H -1.802 3.954 2.847 1.00 . A A . 14 ALA H 1 1
7 1386 1 1 14 ALA HXT H -5.789 3.884 4.028 1.00 . A A . 14 ALA HXT 1 1
7 1387 1 1 14 ALA HA H -4.186 3.389 1.097 1.00 . A A . 14 ALA HA 1 1
7 1388 1 1 14 ALA HB1 H -2.740 1.449 0.468 1.00 . A A . 14 ALA HB1 1 1
7 1389 1 1 14 ALA HB2 H -2.531 1.008 2.176 1.00 . A A . 14 ALA HB2 1 1
7 1390 1 1 14 ALA HB3 H -4.133 0.898 1.414 1.00 . A A . 14 ALA HB3 1 1
7 1391 1 1 14 ALA N N -2.276 3.782 1.955 1.00 . A A . 14 ALA N 1 1
7 1392 1 1 14 ALA O O -3.880 2.438 4.240 1.00 . A A . 14 ALA O 1 1
7 1393 1 1 14 ALA OXT O -5.348 3.846 3.177 1.00 . A A . 14 ALA OXT 1 1
8 1394 1 1 1 ACE C C 2.454 6.133 11.012 1.00 . A A . 1 ACE C 1 1
8 1395 1 1 1 ACE CH3 C 3.823 6.295 11.666 1.00 . A A . 1 ACE CH3 1 1
8 1396 1 1 1 ACE H1 H 3.744 6.252 12.768 1.00 . A A . 1 ACE H1 1 1
8 1397 1 1 1 ACE H2 H 4.518 5.493 11.355 1.00 . A A . 1 ACE H2 1 1
8 1398 1 1 1 ACE H3 H 4.283 7.266 11.408 1.00 . A A . 1 ACE H3 1 1
8 1399 1 1 1 ACE O O 1.445 5.987 11.705 1.00 . A A . 1 ACE O 1 1
8 1400 1 1 2 ILE C C 1.339 4.699 8.023 1.00 . A A . 2 ILE C 1 1
8 1401 1 1 2 ILE CA C 1.214 6.026 8.845 1.00 . A A . 2 ILE CA 1 1
8 1402 1 1 2 ILE CB C 0.959 7.289 7.938 1.00 . A A . 2 ILE CB 1 1
8 1403 1 1 2 ILE CD1 C -0.159 8.842 9.762 1.00 . A A . 2 ILE CD1 1 1
8 1404 1 1 2 ILE CG1 C 0.931 8.658 8.689 1.00 . A A . 2 ILE CG1 1 1
8 1405 1 1 2 ILE CG2 C -0.302 7.179 7.039 1.00 . A A . 2 ILE CG2 1 1
8 1406 1 1 2 ILE H H 3.382 6.242 9.247 1.00 . A A . 2 ILE H 1 1
8 1407 1 1 2 ILE HA H 0.343 5.946 9.526 1.00 . A A . 2 ILE HA 1 1
8 1408 1 1 2 ILE HB H 1.808 7.342 7.233 1.00 . A A . 2 ILE HB 1 1
8 1409 1 1 2 ILE HD11 H -0.089 9.839 10.233 1.00 . A A . 2 ILE HD11 1 1
8 1410 1 1 2 ILE HD12 H -1.176 8.754 9.337 1.00 . A A . 2 ILE HD12 1 1
8 1411 1 1 2 ILE HD13 H -0.071 8.094 10.572 1.00 . A A . 2 ILE HD13 1 1
8 1412 1 1 2 ILE HG12 H 1.915 8.832 9.164 1.00 . A A . 2 ILE HG12 1 1
8 1413 1 1 2 ILE HG13 H 0.842 9.480 7.953 1.00 . A A . 2 ILE HG13 1 1
8 1414 1 1 2 ILE HG21 H -0.455 8.087 6.426 1.00 . A A . 2 ILE HG21 1 1
8 1415 1 1 2 ILE HG22 H -0.231 6.338 6.326 1.00 . A A . 2 ILE HG22 1 1
8 1416 1 1 2 ILE HG23 H -1.224 7.025 7.631 1.00 . A A . 2 ILE HG23 1 1
8 1417 1 1 2 ILE N N 2.452 6.168 9.672 1.00 . A A . 2 ILE N 1 1
8 1418 1 1 2 ILE O O 2.410 4.357 7.506 1.00 . A A . 2 ILE O 1 1
8 1419 1 1 3 TRP C C -0.056 2.919 5.599 1.00 . A A . 3 TRP C 1 1
8 1420 1 1 3 TRP CA C 0.164 2.693 7.126 1.00 . A A . 3 TRP CA 1 1
8 1421 1 1 3 TRP CB C -0.790 1.648 7.761 1.00 . A A . 3 TRP CB 1 1
8 1422 1 1 3 TRP CD1 C -3.150 2.911 7.479 1.00 . A A . 3 TRP CD1 1 1
8 1423 1 1 3 TRP CD2 C -3.163 0.994 8.606 1.00 . A A . 3 TRP CD2 1 1
8 1424 1 1 3 TRP CE2 C -4.483 1.504 8.517 1.00 . A A . 3 TRP CE2 1 1
8 1425 1 1 3 TRP CE3 C -2.921 -0.254 9.242 1.00 . A A . 3 TRP CE3 1 1
8 1426 1 1 3 TRP CG C -2.308 1.873 7.955 1.00 . A A . 3 TRP CG 1 1
8 1427 1 1 3 TRP CH2 C -5.308 -0.446 9.685 1.00 . A A . 3 TRP CH2 1 1
8 1428 1 1 3 TRP CZ2 C -5.567 0.775 9.060 1.00 . A A . 3 TRP CZ2 1 1
8 1429 1 1 3 TRP CZ3 C -4.005 -0.953 9.775 1.00 . A A . 3 TRP CZ3 1 1
8 1430 1 1 3 TRP H H -0.632 4.481 8.142 1.00 . A A . 3 TRP H 1 1
8 1431 1 1 3 TRP HA H 1.146 2.195 7.274 1.00 . A A . 3 TRP HA 1 1
8 1432 1 1 3 TRP HB2 H -0.667 0.715 7.178 1.00 . A A . 3 TRP HB2 1 1
8 1433 1 1 3 TRP HB3 H -0.365 1.396 8.750 1.00 . A A . 3 TRP HB3 1 1
8 1434 1 1 3 TRP HD1 H -2.838 3.739 6.863 1.00 . A A . 3 TRP HD1 1 1
8 1435 1 1 3 TRP HE1 H -5.310 3.276 7.578 1.00 . A A . 3 TRP HE1 1 1
8 1436 1 1 3 TRP HE3 H -1.923 -0.664 9.306 1.00 . A A . 3 TRP HE3 1 1
8 1437 1 1 3 TRP HH2 H -6.127 -1.013 10.103 1.00 . A A . 3 TRP HH2 1 1
8 1438 1 1 3 TRP HZ2 H -6.578 1.150 8.989 1.00 . A A . 3 TRP HZ2 1 1
8 1439 1 1 3 TRP HZ3 H -3.837 -1.903 10.260 1.00 . A A . 3 TRP HZ3 1 1
8 1440 1 1 3 TRP N N 0.213 3.973 7.880 1.00 . A A . 3 TRP N 1 1
8 1441 1 1 3 TRP NE1 N -4.496 2.702 7.827 1.00 . A A . 3 TRP NE1 1 1
8 1442 1 1 3 TRP O O -1.168 3.166 5.126 1.00 . A A . 3 TRP O 1 1
8 1443 1 1 4 GLY C C 0.285 1.915 2.550 1.00 . A A . 4 GLY C 1 1
8 1444 1 1 4 GLY CA C 1.029 3.005 3.362 1.00 . A A . 4 GLY CA 1 1
8 1445 1 1 4 GLY H H 1.899 2.742 5.392 1.00 . A A . 4 GLY H 1 1
8 1446 1 1 4 GLY HA2 H 0.594 3.999 3.126 1.00 . A A . 4 GLY HA2 1 1
8 1447 1 1 4 GLY HA3 H 2.071 3.082 3.001 1.00 . A A . 4 GLY HA3 1 1
8 1448 1 1 4 GLY N N 1.042 2.823 4.837 1.00 . A A . 4 GLY N 1 1
8 1449 1 1 4 GLY O O -0.640 2.256 1.809 1.00 . A A . 4 GLY O 1 1
8 1450 1 1 5 GLU C C -0.740 -1.352 2.987 1.00 . A A . 5 GLU C 1 1
8 1451 1 1 5 GLU CA C 0.036 -0.495 1.947 1.00 . A A . 5 GLU CA 1 1
8 1452 1 1 5 GLU CB C 1.115 -1.264 1.137 1.00 . A A . 5 GLU CB 1 1
8 1453 1 1 5 GLU CD C 1.688 -2.986 -0.668 1.00 . A A . 5 GLU CD 1 1
8 1454 1 1 5 GLU CG C 0.581 -2.395 0.225 1.00 . A A . 5 GLU CG 1 1
8 1455 1 1 5 GLU H H 1.386 0.454 3.405 1.00 . A A . 5 GLU H 1 1
8 1456 1 1 5 GLU HA H -0.684 -0.110 1.196 1.00 . A A . 5 GLU HA 1 1
8 1457 1 1 5 GLU HB2 H 1.664 -0.541 0.502 1.00 . A A . 5 GLU HB2 1 1
8 1458 1 1 5 GLU HB3 H 1.876 -1.685 1.823 1.00 . A A . 5 GLU HB3 1 1
8 1459 1 1 5 GLU HG2 H 0.159 -3.209 0.843 1.00 . A A . 5 GLU HG2 1 1
8 1460 1 1 5 GLU HG3 H -0.271 -2.024 -0.380 1.00 . A A . 5 GLU HG3 1 1
8 1461 1 1 5 GLU N N 0.690 0.632 2.670 1.00 . A A . 5 GLU N 1 1
8 1462 1 1 5 GLU O O -0.185 -2.266 3.606 1.00 . A A . 5 GLU O 1 1
8 1463 1 1 5 GLU OE1 O 2.636 -3.592 -0.162 1.00 . A A . 5 GLU OE1 1 1
8 1464 1 1 6 SER C C -4.286 -1.970 3.397 1.00 . A A . 6 SER C 1 1
8 1465 1 1 6 SER CA C -2.934 -1.727 4.118 1.00 . A A . 6 SER CA 1 1
8 1466 1 1 6 SER CB C -3.081 -0.923 5.433 1.00 . A A . 6 SER CB 1 1
8 1467 1 1 6 SER H H -2.345 -0.203 2.640 1.00 . A A . 6 SER H 1 1
8 1468 1 1 6 SER HA H -2.498 -2.707 4.405 1.00 . A A . 6 SER HA 1 1
8 1469 1 1 6 SER HB2 H -3.732 -1.467 6.144 1.00 . A A . 6 SER HB2 1 1
8 1470 1 1 6 SER HB3 H -2.102 -0.836 5.940 1.00 . A A . 6 SER HB3 1 1
8 1471 1 1 6 SER HG H -4.436 0.263 4.739 1.00 . A A . 6 SER HG 1 1
8 1472 1 1 6 SER N N -2.032 -1.024 3.169 1.00 . A A . 6 SER N 1 1
8 1473 1 1 6 SER O O -5.072 -1.035 3.201 1.00 . A A . 6 SER O 1 1
8 1474 1 1 6 SER OG O -3.612 0.383 5.220 1.00 . A A . 6 SER OG 1 1
8 1475 1 1 7 GLY C C -5.614 -3.651 0.738 1.00 . A A . 7 GLY C 1 1
8 1476 1 1 7 GLY CA C -5.786 -3.594 2.270 1.00 . A A . 7 GLY CA 1 1
8 1477 1 1 7 GLY H H -3.780 -3.897 3.154 1.00 . A A . 7 GLY H 1 1
8 1478 1 1 7 GLY HA2 H -6.108 -4.589 2.629 1.00 . A A . 7 GLY HA2 1 1
8 1479 1 1 7 GLY HA3 H -6.628 -2.923 2.530 1.00 . A A . 7 GLY HA3 1 1
8 1480 1 1 7 GLY N N -4.539 -3.226 2.988 1.00 . A A . 7 GLY N 1 1
8 1481 1 1 7 GLY O O -5.704 -4.731 0.148 1.00 . A A . 7 GLY O 1 1
8 1482 1 1 8 LYS C C -3.869 -3.040 -1.888 1.00 . A A . 8 LYS C 1 1
8 1483 1 1 8 LYS CA C -5.183 -2.375 -1.365 1.00 . A A . 8 LYS CA 1 1
8 1484 1 1 8 LYS CB C -5.352 -0.893 -1.822 1.00 . A A . 8 LYS CB 1 1
8 1485 1 1 8 LYS CD C -2.993 0.231 -1.529 1.00 . A A . 8 LYS CD 1 1
8 1486 1 1 8 LYS CE C -2.277 1.535 -1.136 1.00 . A A . 8 LYS CE 1 1
8 1487 1 1 8 LYS CG C -4.498 0.242 -1.191 1.00 . A A . 8 LYS CG 1 1
8 1488 1 1 8 LYS H H -5.315 -1.671 0.728 1.00 . A A . 8 LYS H 1 1
8 1489 1 1 8 LYS HA H -6.033 -2.918 -1.828 1.00 . A A . 8 LYS HA 1 1
8 1490 1 1 8 LYS HB2 H -5.246 -0.843 -2.923 1.00 . A A . 8 LYS HB2 1 1
8 1491 1 1 8 LYS HB3 H -6.412 -0.621 -1.656 1.00 . A A . 8 LYS HB3 1 1
8 1492 1 1 8 LYS HD2 H -2.511 -0.618 -1.009 1.00 . A A . 8 LYS HD2 1 1
8 1493 1 1 8 LYS HD3 H -2.862 0.042 -2.610 1.00 . A A . 8 LYS HD3 1 1
8 1494 1 1 8 LYS HE2 H -2.721 2.395 -1.676 1.00 . A A . 8 LYS HE2 1 1
8 1495 1 1 8 LYS HE3 H -2.426 1.744 -0.058 1.00 . A A . 8 LYS HE3 1 1
8 1496 1 1 8 LYS HG2 H -4.931 1.201 -1.535 1.00 . A A . 8 LYS HG2 1 1
8 1497 1 1 8 LYS HG3 H -4.635 0.250 -0.093 1.00 . A A . 8 LYS HG3 1 1
8 1498 1 1 8 LYS HZ1 H -0.341 2.327 -1.175 1.00 . A A . 8 LYS HZ1 1 1
8 1499 1 1 8 LYS HZ2 H -0.373 0.703 -0.911 1.00 . A A . 8 LYS HZ2 1 1
8 1500 1 1 8 LYS HZ3 H -0.642 1.290 -2.425 1.00 . A A . 8 LYS HZ3 1 1
8 1501 1 1 8 LYS N N -5.377 -2.485 0.107 1.00 . A A . 8 LYS N 1 1
8 1502 1 1 8 LYS NZ N -0.830 1.461 -1.429 1.00 . A A . 8 LYS NZ 1 1
8 1503 1 1 8 LYS O O -2.836 -3.048 -1.210 1.00 . A A . 8 LYS O 1 1
8 1504 1 1 9 LEU C C -1.920 -3.383 -4.741 1.00 . A A . 9 LEU C 1 1
8 1505 1 1 9 LEU CA C -2.773 -4.272 -3.769 1.00 . A A . 9 LEU CA 1 1
8 1506 1 1 9 LEU CB C -3.255 -5.637 -4.361 1.00 . A A . 9 LEU CB 1 1
8 1507 1 1 9 LEU CD1 C -4.273 -4.941 -6.658 1.00 . A A . 9 LEU CD1 1 1
8 1508 1 1 9 LEU CD2 C -4.837 -7.169 -5.636 1.00 . A A . 9 LEU CD2 1 1
8 1509 1 1 9 LEU CG C -4.474 -5.702 -5.334 1.00 . A A . 9 LEU CG 1 1
8 1510 1 1 9 LEU H H -4.852 -3.540 -3.566 1.00 . A A . 9 LEU H 1 1
8 1511 1 1 9 LEU HA H -2.045 -4.566 -2.988 1.00 . A A . 9 LEU HA 1 1
8 1512 1 1 9 LEU HB2 H -2.390 -6.141 -4.836 1.00 . A A . 9 LEU HB2 1 1
8 1513 1 1 9 LEU HB3 H -3.487 -6.289 -3.496 1.00 . A A . 9 LEU HB3 1 1
8 1514 1 1 9 LEU HD11 H -3.387 -5.301 -7.214 1.00 . A A . 9 LEU HD11 1 1
8 1515 1 1 9 LEU HD12 H -5.147 -5.043 -7.329 1.00 . A A . 9 LEU HD12 1 1
8 1516 1 1 9 LEU HD13 H -4.138 -3.858 -6.487 1.00 . A A . 9 LEU HD13 1 1
8 1517 1 1 9 LEU HD21 H -5.738 -7.246 -6.274 1.00 . A A . 9 LEU HD21 1 1
8 1518 1 1 9 LEU HD22 H -4.020 -7.702 -6.157 1.00 . A A . 9 LEU HD22 1 1
8 1519 1 1 9 LEU HD23 H -5.058 -7.734 -4.711 1.00 . A A . 9 LEU HD23 1 1
8 1520 1 1 9 LEU HG H -5.349 -5.256 -4.824 1.00 . A A . 9 LEU HG 1 1
8 1521 1 1 9 LEU N N -3.933 -3.592 -3.114 1.00 . A A . 9 LEU N 1 1
8 1522 1 1 9 LEU O O -1.412 -3.879 -5.752 1.00 . A A . 9 LEU O 1 1
8 1523 1 1 10 ILE C C 0.494 -1.079 -4.548 1.00 . A A . 10 ILE C 1 1
8 1524 1 1 10 ILE CA C -0.887 -1.152 -5.252 1.00 . A A . 10 ILE CA 1 1
8 1525 1 1 10 ILE CB C -1.596 0.236 -5.464 1.00 . A A . 10 ILE CB 1 1
8 1526 1 1 10 ILE CD1 C -3.226 -0.752 -7.244 1.00 . A A . 10 ILE CD1 1 1
8 1527 1 1 10 ILE CG1 C -3.055 0.138 -6.002 1.00 . A A . 10 ILE CG1 1 1
8 1528 1 1 10 ILE CG2 C -0.778 1.202 -6.362 1.00 . A A . 10 ILE CG2 1 1
8 1529 1 1 10 ILE H H -2.142 -1.810 -3.530 1.00 . A A . 10 ILE H 1 1
8 1530 1 1 10 ILE HA H -0.754 -1.560 -6.275 1.00 . A A . 10 ILE HA 1 1
8 1531 1 1 10 ILE HB H -1.656 0.733 -4.480 1.00 . A A . 10 ILE HB 1 1
8 1532 1 1 10 ILE HD11 H -4.268 -0.751 -7.596 1.00 . A A . 10 ILE HD11 1 1
8 1533 1 1 10 ILE HD12 H -2.570 -0.422 -8.070 1.00 . A A . 10 ILE HD12 1 1
8 1534 1 1 10 ILE HD13 H -2.958 -1.802 -7.022 1.00 . A A . 10 ILE HD13 1 1
8 1535 1 1 10 ILE HG12 H -3.710 -0.257 -5.203 1.00 . A A . 10 ILE HG12 1 1
8 1536 1 1 10 ILE HG13 H -3.457 1.147 -6.213 1.00 . A A . 10 ILE HG13 1 1
8 1537 1 1 10 ILE HG21 H 0.224 1.410 -5.943 1.00 . A A . 10 ILE HG21 1 1
8 1538 1 1 10 ILE HG22 H -0.624 0.801 -7.381 1.00 . A A . 10 ILE HG22 1 1
8 1539 1 1 10 ILE HG23 H -1.276 2.184 -6.471 1.00 . A A . 10 ILE HG23 1 1
8 1540 1 1 10 ILE N N -1.700 -2.091 -4.412 1.00 . A A . 10 ILE N 1 1
8 1541 1 1 10 ILE O O 0.745 -0.167 -3.752 1.00 . A A . 10 ILE O 1 1
8 1542 1 1 11 . C C 2.624 -3.138 -2.968 1.00 . A A . 11 SET C 1 1
8 1543 1 1 11 . CA C 2.712 -2.145 -4.176 1.00 . A A . 11 SET CA 1 1
8 1544 1 1 11 . CB C 3.824 -2.506 -5.210 1.00 . A A . 11 SET CB 1 1
8 1545 1 1 11 . H H 1.000 -2.865 -5.349 1.00 . A A . 11 SET H 1 1
8 1546 1 1 11 . HA H 3.002 -1.165 -3.740 1.00 . A A . 11 SET HA 1 1
8 1547 1 1 11 . HB2 H 2.429 -4.165 -3.332 1.00 . A A . 11 SET HB2 1 1
8 1548 1 1 11 . HB3 H 3.617 -3.186 -2.477 1.00 . A A . 11 SET HB3 1 1
8 1549 1 1 11 . HNT2 H 0.733 -2.254 -2.300 1.00 . A A . 11 SET HNT2 1 1
8 1550 1 1 11 . N N 1.375 -2.063 -4.831 1.00 . A A . 11 SET N 1 1
8 1551 1 1 11 . NT N 1.569 -2.773 -1.984 1.00 . A A . 11 SET NT 1 1
8 1552 1 1 11 . OG O 4.562 -3.481 -5.025 1.00 . A A . 11 SET OG 1 1
8 1553 1 1 12 THR C C 6.461 -1.652 -6.821 1.00 . A A . 12 THR C 1 1
8 1554 1 1 12 THR CA C 5.014 -1.930 -7.342 1.00 . A A . 12 THR CA 1 1
8 1555 1 1 12 THR CB C 4.690 -1.191 -8.679 1.00 . A A . 12 THR CB 1 1
8 1556 1 1 12 THR CG2 C 3.422 -1.690 -9.396 1.00 . A A . 12 THR CG2 1 1
8 1557 1 1 12 THR H H 3.199 -1.047 -6.450 1.00 . A A . 12 THR H 1 1
8 1558 1 1 12 THR HA H 4.991 -3.011 -7.592 1.00 . A A . 12 THR HA 1 1
8 1559 1 1 12 THR HB H 5.534 -1.358 -9.375 1.00 . A A . 12 THR HB 1 1
8 1560 1 1 12 THR HG1 H 3.717 0.351 -8.056 1.00 . A A . 12 THR HG1 1 1
8 1561 1 1 12 THR HG21 H 3.482 -2.770 -9.624 1.00 . A A . 12 THR HG21 1 1
8 1562 1 1 12 THR HG22 H 2.511 -1.529 -8.790 1.00 . A A . 12 THR HG22 1 1
8 1563 1 1 12 THR HG23 H 3.273 -1.164 -10.357 1.00 . A A . 12 THR HG23 1 1
8 1564 1 1 12 THR N N 3.977 -1.698 -6.288 1.00 . A A . 12 THR N 1 1
8 1565 1 1 12 THR O O 7.280 -2.575 -6.808 1.00 . A A . 12 THR O 1 1
8 1566 1 1 12 THR OG1 O 4.565 0.215 -8.483 1.00 . A A . 12 THR OG1 1 1
8 1567 1 1 13 THR C C 7.989 -0.065 -4.281 1.00 . A A . 13 THR C 1 1
8 1568 1 1 13 THR CA C 8.101 -0.041 -5.837 1.00 . A A . 13 THR CA 1 1
8 1569 1 1 13 THR CB C 8.616 1.317 -6.407 1.00 . A A . 13 THR CB 1 1
8 1570 1 1 13 THR CG2 C 9.021 1.271 -7.892 1.00 . A A . 13 THR CG2 1 1
8 1571 1 1 13 THR H H 5.995 0.265 -6.436 1.00 . A A . 13 THR H 1 1
8 1572 1 1 13 THR HA H 8.861 -0.793 -6.133 1.00 . A A . 13 THR HA 1 1
8 1573 1 1 13 THR HB H 9.521 1.602 -5.839 1.00 . A A . 13 THR HB 1 1
8 1574 1 1 13 THR HG1 H 8.051 3.148 -6.613 1.00 . A A . 13 THR HG1 1 1
8 1575 1 1 13 THR HG21 H 8.164 1.028 -8.547 1.00 . A A . 13 THR HG21 1 1
8 1576 1 1 13 THR HG22 H 9.427 2.242 -8.231 1.00 . A A . 13 THR HG22 1 1
8 1577 1 1 13 THR HG23 H 9.804 0.513 -8.077 1.00 . A A . 13 THR HG23 1 1
8 1578 1 1 13 THR N N 6.765 -0.412 -6.385 1.00 . A A . 13 THR N 1 1
8 1579 1 1 13 THR O O 7.704 0.954 -3.642 1.00 . A A . 13 THR O 1 1
8 1580 1 1 13 THR OG1 O 7.655 2.358 -6.239 1.00 . A A . 13 THR OG1 1 1
8 1581 1 1 14 ALA C C 9.117 -2.544 -1.779 1.00 . A A . 14 ALA C 1 1
8 1582 1 1 14 ALA CA C 8.111 -1.459 -2.217 1.00 . A A . 14 ALA CA 1 1
8 1583 1 1 14 ALA CB C 6.662 -1.791 -1.800 1.00 . A A . 14 ALA CB 1 1
8 1584 1 1 14 ALA H H 8.396 -2.027 -4.334 1.00 . A A . 14 ALA H 1 1
8 1585 1 1 14 ALA HXT H 8.012 -3.786 -2.793 1.00 . A A . 14 ALA HXT 1 1
8 1586 1 1 14 ALA HA H 8.405 -0.527 -1.694 1.00 . A A . 14 ALA HA 1 1
8 1587 1 1 14 ALA HB1 H 6.278 -2.706 -2.289 1.00 . A A . 14 ALA HB1 1 1
8 1588 1 1 14 ALA HB2 H 6.578 -1.943 -0.708 1.00 . A A . 14 ALA HB2 1 1
8 1589 1 1 14 ALA HB3 H 5.967 -0.970 -2.060 1.00 . A A . 14 ALA HB3 1 1
8 1590 1 1 14 ALA N N 8.195 -1.257 -3.686 1.00 . A A . 14 ALA N 1 1
8 1591 1 1 14 ALA O O 10.092 -2.302 -1.069 1.00 . A A . 14 ALA O 1 1
8 1592 1 1 14 ALA OXT O 8.812 -3.795 -2.263 1.00 . A A . 14 ALA OXT 1 1
9 1593 1 1 1 ACE C C -1.028 6.765 5.091 1.00 . A A . 1 ACE C 1 1
9 1594 1 1 1 ACE CH3 C -0.956 8.205 4.591 1.00 . A A . 1 ACE CH3 1 1
9 1595 1 1 1 ACE H1 H 0.062 8.464 4.247 1.00 . A A . 1 ACE H1 1 1
9 1596 1 1 1 ACE H2 H -1.656 8.379 3.754 1.00 . A A . 1 ACE H2 1 1
9 1597 1 1 1 ACE H3 H -1.221 8.917 5.394 1.00 . A A . 1 ACE H3 1 1
9 1598 1 1 1 ACE O O -1.357 6.526 6.255 1.00 . A A . 1 ACE O 1 1
9 1599 1 1 2 ILE C C 0.737 3.825 4.452 1.00 . A A . 2 ILE C 1 1
9 1600 1 1 2 ILE CA C -0.730 4.363 4.485 1.00 . A A . 2 ILE CA 1 1
9 1601 1 1 2 ILE CB C -1.774 3.582 3.599 1.00 . A A . 2 ILE CB 1 1
9 1602 1 1 2 ILE CD1 C -3.736 3.716 5.363 1.00 . A A . 2 ILE CD1 1 1
9 1603 1 1 2 ILE CG1 C -3.257 3.956 3.914 1.00 . A A . 2 ILE CG1 1 1
9 1604 1 1 2 ILE CG2 C -1.639 2.036 3.607 1.00 . A A . 2 ILE CG2 1 1
9 1605 1 1 2 ILE H H -0.378 6.211 3.295 1.00 . A A . 2 ILE H 1 1
9 1606 1 1 2 ILE HA H -1.078 4.227 5.531 1.00 . A A . 2 ILE HA 1 1
9 1607 1 1 2 ILE HB H -1.588 3.861 2.549 1.00 . A A . 2 ILE HB 1 1
9 1608 1 1 2 ILE HD11 H -4.827 3.857 5.457 1.00 . A A . 2 ILE HD11 1 1
9 1609 1 1 2 ILE HD12 H -3.509 2.694 5.717 1.00 . A A . 2 ILE HD12 1 1
9 1610 1 1 2 ILE HD13 H -3.257 4.411 6.077 1.00 . A A . 2 ILE HD13 1 1
9 1611 1 1 2 ILE HG12 H -3.427 5.020 3.665 1.00 . A A . 2 ILE HG12 1 1
9 1612 1 1 2 ILE HG13 H -3.929 3.407 3.226 1.00 . A A . 2 ILE HG13 1 1
9 1613 1 1 2 ILE HG21 H -2.414 1.547 2.990 1.00 . A A . 2 ILE HG21 1 1
9 1614 1 1 2 ILE HG22 H -0.666 1.699 3.206 1.00 . A A . 2 ILE HG22 1 1
9 1615 1 1 2 ILE HG23 H -1.726 1.620 4.627 1.00 . A A . 2 ILE HG23 1 1
9 1616 1 1 2 ILE N N -0.720 5.827 4.183 1.00 . A A . 2 ILE N 1 1
9 1617 1 1 2 ILE O O 1.596 4.221 3.658 1.00 . A A . 2 ILE O 1 1
9 1618 1 1 3 TRP C C 2.259 0.802 4.830 1.00 . A A . 3 TRP C 1 1
9 1619 1 1 3 TRP CA C 2.233 2.162 5.586 1.00 . A A . 3 TRP CA 1 1
9 1620 1 1 3 TRP CB C 2.509 2.014 7.116 1.00 . A A . 3 TRP CB 1 1
9 1621 1 1 3 TRP CD1 C 0.664 0.531 8.299 1.00 . A A . 3 TRP CD1 1 1
9 1622 1 1 3 TRP CD2 C 0.543 2.710 8.723 1.00 . A A . 3 TRP CD2 1 1
9 1623 1 1 3 TRP CE2 C -0.551 2.045 9.333 1.00 . A A . 3 TRP CE2 1 1
9 1624 1 1 3 TRP CE3 C 0.619 4.129 8.742 1.00 . A A . 3 TRP CE3 1 1
9 1625 1 1 3 TRP CG C 1.321 1.759 8.077 1.00 . A A . 3 TRP CG 1 1
9 1626 1 1 3 TRP CH2 C -1.470 4.184 9.992 1.00 . A A . 3 TRP CH2 1 1
9 1627 1 1 3 TRP CZ2 C -1.570 2.791 9.972 1.00 . A A . 3 TRP CZ2 1 1
9 1628 1 1 3 TRP CZ3 C -0.394 4.842 9.384 1.00 . A A . 3 TRP CZ3 1 1
9 1629 1 1 3 TRP H H 0.084 2.528 5.783 1.00 . A A . 3 TRP H 1 1
9 1630 1 1 3 TRP HA H 3.062 2.807 5.228 1.00 . A A . 3 TRP HA 1 1
9 1631 1 1 3 TRP HB2 H 3.280 1.234 7.266 1.00 . A A . 3 TRP HB2 1 1
9 1632 1 1 3 TRP HB3 H 3.018 2.940 7.441 1.00 . A A . 3 TRP HB3 1 1
9 1633 1 1 3 TRP HD1 H 0.921 -0.390 7.802 1.00 . A A . 3 TRP HD1 1 1
9 1634 1 1 3 TRP HE1 H -1.161 -0.035 9.382 1.00 . A A . 3 TRP HE1 1 1
9 1635 1 1 3 TRP HE3 H 1.425 4.652 8.248 1.00 . A A . 3 TRP HE3 1 1
9 1636 1 1 3 TRP HH2 H -2.245 4.765 10.471 1.00 . A A . 3 TRP HH2 1 1
9 1637 1 1 3 TRP HZ2 H -2.420 2.297 10.420 1.00 . A A . 3 TRP HZ2 1 1
9 1638 1 1 3 TRP HZ3 H -0.354 5.922 9.399 1.00 . A A . 3 TRP HZ3 1 1
9 1639 1 1 3 TRP N N 0.948 2.860 5.350 1.00 . A A . 3 TRP N 1 1
9 1640 1 1 3 TRP NE1 N -0.484 0.682 9.099 1.00 . A A . 3 TRP NE1 1 1
9 1641 1 1 3 TRP O O 1.703 -0.204 5.281 1.00 . A A . 3 TRP O 1 1
9 1642 1 1 4 GLY C C 1.786 -0.845 2.043 1.00 . A A . 4 GLY C 1 1
9 1643 1 1 4 GLY CA C 3.061 -0.378 2.790 1.00 . A A . 4 GLY CA 1 1
9 1644 1 1 4 GLY H H 3.329 1.722 3.445 1.00 . A A . 4 GLY H 1 1
9 1645 1 1 4 GLY HA2 H 3.829 -0.117 2.032 1.00 . A A . 4 GLY HA2 1 1
9 1646 1 1 4 GLY HA3 H 3.540 -1.202 3.353 1.00 . A A . 4 GLY HA3 1 1
9 1647 1 1 4 GLY N N 2.903 0.815 3.654 1.00 . A A . 4 GLY N 1 1
9 1648 1 1 4 GLY O O 1.529 -0.347 0.943 1.00 . A A . 4 GLY O 1 1
9 1649 1 1 5 GLU C C -1.265 -2.649 3.084 1.00 . A A . 5 GLU C 1 1
9 1650 1 1 5 GLU CA C -0.231 -2.314 1.968 1.00 . A A . 5 GLU CA 1 1
9 1651 1 1 5 GLU CB C 0.132 -3.508 1.037 1.00 . A A . 5 GLU CB 1 1
9 1652 1 1 5 GLU CD C -0.542 -5.159 -0.797 1.00 . A A . 5 GLU CD 1 1
9 1653 1 1 5 GLU CG C -1.035 -4.101 0.206 1.00 . A A . 5 GLU CG 1 1
9 1654 1 1 5 GLU H H 1.208 -2.063 3.584 1.00 . A A . 5 GLU H 1 1
9 1655 1 1 5 GLU HA H -0.673 -1.529 1.320 1.00 . A A . 5 GLU HA 1 1
9 1656 1 1 5 GLU HB2 H 0.922 -3.175 0.334 1.00 . A A . 5 GLU HB2 1 1
9 1657 1 1 5 GLU HB3 H 0.603 -4.315 1.633 1.00 . A A . 5 GLU HB3 1 1
9 1658 1 1 5 GLU HG2 H -1.775 -4.574 0.877 1.00 . A A . 5 GLU HG2 1 1
9 1659 1 1 5 GLU HG3 H -1.582 -3.283 -0.304 1.00 . A A . 5 GLU HG3 1 1
9 1660 1 1 5 GLU N N 1.009 -1.798 2.610 1.00 . A A . 5 GLU N 1 1
9 1661 1 1 5 GLU O O -1.404 -3.797 3.517 1.00 . A A . 5 GLU O 1 1
9 1662 1 1 5 GLU OE1 O -0.002 -6.193 -0.394 1.00 . A A . 5 GLU OE1 1 1
9 1663 1 1 6 SER C C -4.095 -0.631 4.286 1.00 . A A . 6 SER C 1 1
9 1664 1 1 6 SER CA C -3.031 -1.725 4.599 1.00 . A A . 6 SER CA 1 1
9 1665 1 1 6 SER CB C -2.413 -1.644 6.021 1.00 . A A . 6 SER CB 1 1
9 1666 1 1 6 SER H H -1.724 -0.703 3.143 1.00 . A A . 6 SER H 1 1
9 1667 1 1 6 SER HA H -3.530 -2.712 4.523 1.00 . A A . 6 SER HA 1 1
9 1668 1 1 6 SER HB2 H -3.208 -1.731 6.785 1.00 . A A . 6 SER HB2 1 1
9 1669 1 1 6 SER HB3 H -1.738 -2.503 6.192 1.00 . A A . 6 SER HB3 1 1
9 1670 1 1 6 SER HG H -1.354 -0.466 7.131 1.00 . A A . 6 SER HG 1 1
9 1671 1 1 6 SER N N -1.977 -1.609 3.550 1.00 . A A . 6 SER N 1 1
9 1672 1 1 6 SER O O -4.186 0.394 4.967 1.00 . A A . 6 SER O 1 1
9 1673 1 1 6 SER OG O -1.690 -0.432 6.231 1.00 . A A . 6 SER OG 1 1
9 1674 1 1 7 GLY C C -5.745 0.303 1.246 1.00 . A A . 7 GLY C 1 1
9 1675 1 1 7 GLY CA C -5.929 0.091 2.763 1.00 . A A . 7 GLY CA 1 1
9 1676 1 1 7 GLY H H -4.738 -1.765 2.764 1.00 . A A . 7 GLY H 1 1
9 1677 1 1 7 GLY HA2 H -6.938 -0.312 2.969 1.00 . A A . 7 GLY HA2 1 1
9 1678 1 1 7 GLY HA3 H -5.883 1.066 3.286 1.00 . A A . 7 GLY HA3 1 1
9 1679 1 1 7 GLY N N -4.909 -0.874 3.243 1.00 . A A . 7 GLY N 1 1
9 1680 1 1 7 GLY O O -6.598 -0.122 0.463 1.00 . A A . 7 GLY O 1 1
9 1681 1 1 8 LYS C C -3.814 -0.108 -1.297 1.00 . A A . 8 LYS C 1 1
9 1682 1 1 8 LYS CA C -4.315 1.196 -0.596 1.00 . A A . 8 LYS CA 1 1
9 1683 1 1 8 LYS CB C -3.324 2.388 -0.748 1.00 . A A . 8 LYS CB 1 1
9 1684 1 1 8 LYS CD C -0.969 3.426 -0.529 1.00 . A A . 8 LYS CD 1 1
9 1685 1 1 8 LYS CE C 0.555 3.206 -0.426 1.00 . A A . 8 LYS CE 1 1
9 1686 1 1 8 LYS CG C -1.838 2.159 -0.362 1.00 . A A . 8 LYS CG 1 1
9 1687 1 1 8 LYS H H -4.003 1.240 1.594 1.00 . A A . 8 LYS H 1 1
9 1688 1 1 8 LYS HA H -5.255 1.525 -1.087 1.00 . A A . 8 LYS HA 1 1
9 1689 1 1 8 LYS HB2 H -3.353 2.713 -1.806 1.00 . A A . 8 LYS HB2 1 1
9 1690 1 1 8 LYS HB3 H -3.718 3.258 -0.187 1.00 . A A . 8 LYS HB3 1 1
9 1691 1 1 8 LYS HD2 H -1.170 3.865 -1.526 1.00 . A A . 8 LYS HD2 1 1
9 1692 1 1 8 LYS HD3 H -1.291 4.203 0.190 1.00 . A A . 8 LYS HD3 1 1
9 1693 1 1 8 LYS HE2 H 0.884 2.460 -1.174 1.00 . A A . 8 LYS HE2 1 1
9 1694 1 1 8 LYS HE3 H 1.075 4.143 -0.703 1.00 . A A . 8 LYS HE3 1 1
9 1695 1 1 8 LYS HG2 H -1.773 1.792 0.678 1.00 . A A . 8 LYS HG2 1 1
9 1696 1 1 8 LYS HG3 H -1.420 1.347 -0.987 1.00 . A A . 8 LYS HG3 1 1
9 1697 1 1 8 LYS HZ1 H 2.027 2.680 0.964 1.00 . A A . 8 LYS HZ1 1 1
9 1698 1 1 8 LYS HZ2 H 0.750 3.466 1.645 1.00 . A A . 8 LYS HZ2 1 1
9 1699 1 1 8 LYS HZ3 H 0.606 1.883 1.192 1.00 . A A . 8 LYS HZ3 1 1
9 1700 1 1 8 LYS N N -4.634 0.956 0.838 1.00 . A A . 8 LYS N 1 1
9 1701 1 1 8 LYS NZ N 1.007 2.788 0.918 1.00 . A A . 8 LYS NZ 1 1
9 1702 1 1 8 LYS O O -3.036 -0.878 -0.720 1.00 . A A . 8 LYS O 1 1
9 1703 1 1 9 LEU C C -2.474 -1.427 -4.111 1.00 . A A . 9 LEU C 1 1
9 1704 1 1 9 LEU CA C -3.844 -1.530 -3.352 1.00 . A A . 9 LEU CA 1 1
9 1705 1 1 9 LEU CB C -5.060 -1.989 -4.222 1.00 . A A . 9 LEU CB 1 1
9 1706 1 1 9 LEU CD1 C -4.951 -0.356 -6.255 1.00 . A A . 9 LEU CD1 1 1
9 1707 1 1 9 LEU CD2 C -7.051 -1.653 -5.771 1.00 . A A . 9 LEU CD2 1 1
9 1708 1 1 9 LEU CG C -5.815 -0.979 -5.142 1.00 . A A . 9 LEU CG 1 1
9 1709 1 1 9 LEU H H -4.884 0.379 -2.925 1.00 . A A . 9 LEU H 1 1
9 1710 1 1 9 LEU HA H -3.692 -2.373 -2.648 1.00 . A A . 9 LEU HA 1 1
9 1711 1 1 9 LEU HB2 H -4.751 -2.865 -4.825 1.00 . A A . 9 LEU HB2 1 1
9 1712 1 1 9 LEU HB3 H -5.805 -2.412 -3.519 1.00 . A A . 9 LEU HB3 1 1
9 1713 1 1 9 LEU HD11 H -4.512 -1.123 -6.919 1.00 . A A . 9 LEU HD11 1 1
9 1714 1 1 9 LEU HD12 H -5.534 0.336 -6.891 1.00 . A A . 9 LEU HD12 1 1
9 1715 1 1 9 LEU HD13 H -4.116 0.236 -5.837 1.00 . A A . 9 LEU HD13 1 1
9 1716 1 1 9 LEU HD21 H -7.642 -0.942 -6.378 1.00 . A A . 9 LEU HD21 1 1
9 1717 1 1 9 LEU HD22 H -6.775 -2.497 -6.431 1.00 . A A . 9 LEU HD22 1 1
9 1718 1 1 9 LEU HD23 H -7.736 -2.053 -4.999 1.00 . A A . 9 LEU HD23 1 1
9 1719 1 1 9 LEU HG H -6.191 -0.151 -4.512 1.00 . A A . 9 LEU HG 1 1
9 1720 1 1 9 LEU N N -4.237 -0.326 -2.556 1.00 . A A . 9 LEU N 1 1
9 1721 1 1 9 LEU O O -2.368 -1.798 -5.284 1.00 . A A . 9 LEU O 1 1
9 1722 1 1 10 ILE C C 0.757 -2.038 -3.401 1.00 . A A . 10 ILE C 1 1
9 1723 1 1 10 ILE CA C -0.033 -0.844 -4.004 1.00 . A A . 10 ILE CA 1 1
9 1724 1 1 10 ILE CB C 0.587 0.574 -3.733 1.00 . A A . 10 ILE CB 1 1
9 1725 1 1 10 ILE CD1 C -0.906 1.701 -5.565 1.00 . A A . 10 ILE CD1 1 1
9 1726 1 1 10 ILE CG1 C -0.325 1.772 -4.143 1.00 . A A . 10 ILE CG1 1 1
9 1727 1 1 10 ILE CG2 C 1.989 0.755 -4.371 1.00 . A A . 10 ILE CG2 1 1
9 1728 1 1 10 ILE H H -1.611 -0.765 -2.435 1.00 . A A . 10 ILE H 1 1
9 1729 1 1 10 ILE HA H -0.067 -0.934 -5.109 1.00 . A A . 10 ILE HA 1 1
9 1730 1 1 10 ILE HB H 0.745 0.656 -2.642 1.00 . A A . 10 ILE HB 1 1
9 1731 1 1 10 ILE HD11 H -1.504 2.597 -5.799 1.00 . A A . 10 ILE HD11 1 1
9 1732 1 1 10 ILE HD12 H -0.112 1.599 -6.326 1.00 . A A . 10 ILE HD12 1 1
9 1733 1 1 10 ILE HD13 H -1.577 0.829 -5.683 1.00 . A A . 10 ILE HD13 1 1
9 1734 1 1 10 ILE HG12 H -1.172 1.839 -3.435 1.00 . A A . 10 ILE HG12 1 1
9 1735 1 1 10 ILE HG13 H 0.215 2.729 -4.013 1.00 . A A . 10 ILE HG13 1 1
9 1736 1 1 10 ILE HG21 H 2.705 -0.017 -4.035 1.00 . A A . 10 ILE HG21 1 1
9 1737 1 1 10 ILE HG22 H 1.959 0.706 -5.475 1.00 . A A . 10 ILE HG22 1 1
9 1738 1 1 10 ILE HG23 H 2.440 1.730 -4.103 1.00 . A A . 10 ILE HG23 1 1
9 1739 1 1 10 ILE N N -1.404 -0.983 -3.417 1.00 . A A . 10 ILE N 1 1
9 1740 1 1 10 ILE O O 1.404 -1.898 -2.356 1.00 . A A . 10 ILE O 1 1
9 1741 1 1 11 . C C 0.210 -5.448 -3.143 1.00 . A A . 11 SET C 1 1
9 1742 1 1 11 . CA C 1.345 -4.452 -3.551 1.00 . A A . 11 SET CA 1 1
9 1743 1 1 11 . CB C 2.434 -5.017 -4.515 1.00 . A A . 11 SET CB 1 1
9 1744 1 1 11 . H H -0.026 -3.278 -4.795 1.00 . A A . 11 SET H 1 1
9 1745 1 1 11 . HA H 1.887 -4.254 -2.601 1.00 . A A . 11 SET HA 1 1
9 1746 1 1 11 . HB2 H -0.403 -5.714 -4.025 1.00 . A A . 11 SET HB2 1 1
9 1747 1 1 11 . HB3 H 0.651 -6.407 -2.807 1.00 . A A . 11 SET HB3 1 1
9 1748 1 1 11 . HNT2 H -1.126 -3.951 -2.285 1.00 . A A . 11 SET HNT2 1 1
9 1749 1 1 11 . N N 0.692 -3.210 -4.065 1.00 . A A . 11 SET N 1 1
9 1750 1 1 11 . NT N -0.678 -4.862 -2.096 1.00 . A A . 11 SET NT 1 1
9 1751 1 1 11 . OG O 2.435 -6.204 -4.851 1.00 . A A . 11 SET OG 1 1
9 1752 1 1 12 THR C C 5.802 -4.149 -4.978 1.00 . A A . 12 THR C 1 1
9 1753 1 1 12 THR CA C 4.529 -4.500 -5.806 1.00 . A A . 12 THR CA 1 1
9 1754 1 1 12 THR CB C 4.438 -3.871 -7.232 1.00 . A A . 12 THR CB 1 1
9 1755 1 1 12 THR CG2 C 3.324 -4.468 -8.109 1.00 . A A . 12 THR CG2 1 1
9 1756 1 1 12 THR H H 3.163 -3.161 -4.732 1.00 . A A . 12 THR H 1 1
9 1757 1 1 12 THR HA H 4.568 -5.598 -5.955 1.00 . A A . 12 THR HA 1 1
9 1758 1 1 12 THR HB H 5.397 -4.061 -7.751 1.00 . A A . 12 THR HB 1 1
9 1759 1 1 12 THR HG1 H 4.157 -2.166 -8.084 1.00 . A A . 12 THR HG1 1 1
9 1760 1 1 12 THR HG21 H 3.439 -5.562 -8.224 1.00 . A A . 12 THR HG21 1 1
9 1761 1 1 12 THR HG22 H 2.321 -4.284 -7.681 1.00 . A A . 12 THR HG22 1 1
9 1762 1 1 12 THR HG23 H 3.332 -4.032 -9.125 1.00 . A A . 12 THR HG23 1 1
9 1763 1 1 12 THR N N 3.382 -4.146 -4.921 1.00 . A A . 12 THR N 1 1
9 1764 1 1 12 THR O O 6.415 -5.060 -4.413 1.00 . A A . 12 THR O 1 1
9 1765 1 1 12 THR OG1 O 4.244 -2.459 -7.174 1.00 . A A . 12 THR OG1 1 1
9 1766 1 1 13 THR C C 6.859 -1.468 -2.910 1.00 . A A . 13 THR C 1 1
9 1767 1 1 13 THR CA C 7.354 -2.401 -4.071 1.00 . A A . 13 THR CA 1 1
9 1768 1 1 13 THR CB C 8.447 -1.758 -4.982 1.00 . A A . 13 THR CB 1 1
9 1769 1 1 13 THR CG2 C 9.148 -2.739 -5.938 1.00 . A A . 13 THR CG2 1 1
9 1770 1 1 13 THR H H 5.667 -2.203 -5.477 1.00 . A A . 13 THR H 1 1
9 1771 1 1 13 THR HA H 7.840 -3.261 -3.568 1.00 . A A . 13 THR HA 1 1
9 1772 1 1 13 THR HB H 9.231 -1.344 -4.324 1.00 . A A . 13 THR HB 1 1
9 1773 1 1 13 THR HG1 H 8.649 -0.339 -6.269 1.00 . A A . 13 THR HG1 1 1
9 1774 1 1 13 THR HG21 H 8.445 -3.171 -6.675 1.00 . A A . 13 THR HG21 1 1
9 1775 1 1 13 THR HG22 H 9.954 -2.241 -6.509 1.00 . A A . 13 THR HG22 1 1
9 1776 1 1 13 THR HG23 H 9.610 -3.581 -5.391 1.00 . A A . 13 THR HG23 1 1
9 1777 1 1 13 THR N N 6.183 -2.856 -4.879 1.00 . A A . 13 THR N 1 1
9 1778 1 1 13 THR O O 7.272 -0.309 -2.801 1.00 . A A . 13 THR O 1 1
9 1779 1 1 13 THR OG1 O 7.916 -0.681 -5.752 1.00 . A A . 13 THR OG1 1 1
9 1780 1 1 14 ALA C C 4.759 -2.240 0.098 1.00 . A A . 14 ALA C 1 1
9 1781 1 1 14 ALA CA C 5.411 -1.237 -0.877 1.00 . A A . 14 ALA CA 1 1
9 1782 1 1 14 ALA CB C 4.424 -0.125 -1.303 1.00 . A A . 14 ALA CB 1 1
9 1783 1 1 14 ALA H H 5.714 -2.964 -2.220 1.00 . A A . 14 ALA H 1 1
9 1784 1 1 14 ALA HXT H 3.365 -2.448 -1.251 1.00 . A A . 14 ALA HXT 1 1
9 1785 1 1 14 ALA HA H 6.246 -0.752 -0.333 1.00 . A A . 14 ALA HA 1 1
9 1786 1 1 14 ALA HB1 H 3.563 -0.523 -1.869 1.00 . A A . 14 ALA HB1 1 1
9 1787 1 1 14 ALA HB2 H 4.018 0.416 -0.429 1.00 . A A . 14 ALA HB2 1 1
9 1788 1 1 14 ALA HB3 H 4.912 0.632 -1.945 1.00 . A A . 14 ALA HB3 1 1
9 1789 1 1 14 ALA N N 5.974 -1.990 -2.028 1.00 . A A . 14 ALA N 1 1
9 1790 1 1 14 ALA O O 5.235 -2.503 1.202 1.00 . A A . 14 ALA O 1 1
9 1791 1 1 14 ALA OXT O 3.597 -2.796 -0.387 1.00 . A A . 14 ALA OXT 1 1
10 1792 1 1 1 ACE C C 2.211 0.142 -6.805 1.00 . A A . 1 ACE C 1 1
10 1793 1 1 1 ACE CH3 C 1.814 -0.397 -8.176 1.00 . A A . 1 ACE CH3 1 1
10 1794 1 1 1 ACE H1 H 0.716 -0.395 -8.308 1.00 . A A . 1 ACE H1 1 1
10 1795 1 1 1 ACE H2 H 2.259 0.198 -8.995 1.00 . A A . 1 ACE H2 1 1
10 1796 1 1 1 ACE H3 H 2.159 -1.439 -8.307 1.00 . A A . 1 ACE H3 1 1
10 1797 1 1 1 ACE O O 2.733 -0.597 -5.968 1.00 . A A . 1 ACE O 1 1
10 1798 1 1 2 ILE C C 1.004 2.162 -4.401 1.00 . A A . 2 ILE C 1 1
10 1799 1 1 2 ILE CA C 2.257 2.150 -5.328 1.00 . A A . 2 ILE CA 1 1
10 1800 1 1 2 ILE CB C 2.886 3.574 -5.574 1.00 . A A . 2 ILE CB 1 1
10 1801 1 1 2 ILE CD1 C 1.002 5.391 -5.493 1.00 . A A . 2 ILE CD1 1 1
10 1802 1 1 2 ILE CG1 C 2.026 4.623 -6.348 1.00 . A A . 2 ILE CG1 1 1
10 1803 1 1 2 ILE CG2 C 4.300 3.474 -6.202 1.00 . A A . 2 ILE CG2 1 1
10 1804 1 1 2 ILE H H 1.403 1.898 -7.336 1.00 . A A . 2 ILE H 1 1
10 1805 1 1 2 ILE HA H 3.043 1.576 -4.791 1.00 . A A . 2 ILE HA 1 1
10 1806 1 1 2 ILE HB H 3.078 4.009 -4.578 1.00 . A A . 2 ILE HB 1 1
10 1807 1 1 2 ILE HD11 H 0.506 6.183 -6.083 1.00 . A A . 2 ILE HD11 1 1
10 1808 1 1 2 ILE HD12 H 0.202 4.741 -5.100 1.00 . A A . 2 ILE HD12 1 1
10 1809 1 1 2 ILE HD13 H 1.481 5.883 -4.626 1.00 . A A . 2 ILE HD13 1 1
10 1810 1 1 2 ILE HG12 H 2.682 5.390 -6.803 1.00 . A A . 2 ILE HG12 1 1
10 1811 1 1 2 ILE HG13 H 1.517 4.151 -7.208 1.00 . A A . 2 ILE HG13 1 1
10 1812 1 1 2 ILE HG21 H 4.807 4.457 -6.235 1.00 . A A . 2 ILE HG21 1 1
10 1813 1 1 2 ILE HG22 H 4.963 2.805 -5.620 1.00 . A A . 2 ILE HG22 1 1
10 1814 1 1 2 ILE HG23 H 4.273 3.087 -7.238 1.00 . A A . 2 ILE HG23 1 1
10 1815 1 1 2 ILE N N 1.945 1.439 -6.601 1.00 . A A . 2 ILE N 1 1
10 1816 1 1 2 ILE O O -0.147 2.240 -4.848 1.00 . A A . 2 ILE O 1 1
10 1817 1 1 3 TRP C C -0.097 3.559 -1.588 1.00 . A A . 3 TRP C 1 1
10 1818 1 1 3 TRP CA C 0.211 2.102 -2.039 1.00 . A A . 3 TRP CA 1 1
10 1819 1 1 3 TRP CB C 0.527 1.137 -0.862 1.00 . A A . 3 TRP CB 1 1
10 1820 1 1 3 TRP CD1 C 2.709 2.026 0.337 1.00 . A A . 3 TRP CD1 1 1
10 1821 1 1 3 TRP CD2 C 2.805 -0.084 -0.358 1.00 . A A . 3 TRP CD2 1 1
10 1822 1 1 3 TRP CE2 C 4.027 0.269 0.271 1.00 . A A . 3 TRP CE2 1 1
10 1823 1 1 3 TRP CE3 C 2.621 -1.392 -0.879 1.00 . A A . 3 TRP CE3 1 1
10 1824 1 1 3 TRP CG C 1.965 1.019 -0.315 1.00 . A A . 3 TRP CG 1 1
10 1825 1 1 3 TRP CH2 C 4.861 -1.967 -0.113 1.00 . A A . 3 TRP CH2 1 1
10 1826 1 1 3 TRP CZ2 C 5.065 -0.684 0.396 1.00 . A A . 3 TRP CZ2 1 1
10 1827 1 1 3 TRP CZ3 C 3.658 -2.315 -0.739 1.00 . A A . 3 TRP CZ3 1 1
10 1828 1 1 3 TRP H H 2.250 2.034 -2.848 1.00 . A A . 3 TRP H 1 1
10 1829 1 1 3 TRP HA H -0.710 1.663 -2.474 1.00 . A A . 3 TRP HA 1 1
10 1830 1 1 3 TRP HB2 H -0.156 1.371 -0.024 1.00 . A A . 3 TRP HB2 1 1
10 1831 1 1 3 TRP HB3 H 0.198 0.135 -1.190 1.00 . A A . 3 TRP HB3 1 1
10 1832 1 1 3 TRP HD1 H 2.360 3.032 0.508 1.00 . A A . 3 TRP HD1 1 1
10 1833 1 1 3 TRP HE1 H 4.730 2.109 1.182 1.00 . A A . 3 TRP HE1 1 1
10 1834 1 1 3 TRP HE3 H 1.699 -1.682 -1.363 1.00 . A A . 3 TRP HE3 1 1
10 1835 1 1 3 TRP HH2 H 5.642 -2.707 -0.020 1.00 . A A . 3 TRP HH2 1 1
10 1836 1 1 3 TRP HZ2 H 5.995 -0.428 0.881 1.00 . A A . 3 TRP HZ2 1 1
10 1837 1 1 3 TRP HZ3 H 3.532 -3.317 -1.114 1.00 . A A . 3 TRP HZ3 1 1
10 1838 1 1 3 TRP N N 1.260 2.094 -3.087 1.00 . A A . 3 TRP N 1 1
10 1839 1 1 3 TRP NE1 N 3.990 1.582 0.706 1.00 . A A . 3 TRP NE1 1 1
10 1840 1 1 3 TRP O O 0.600 4.146 -0.756 1.00 . A A . 3 TRP O 1 1
10 1841 1 1 4 GLY C C -2.626 5.573 -0.672 1.00 . A A . 4 GLY C 1 1
10 1842 1 1 4 GLY CA C -1.615 5.509 -1.844 1.00 . A A . 4 GLY CA 1 1
10 1843 1 1 4 GLY H H -1.593 3.532 -2.874 1.00 . A A . 4 GLY H 1 1
10 1844 1 1 4 GLY HA2 H -0.759 6.188 -1.661 1.00 . A A . 4 GLY HA2 1 1
10 1845 1 1 4 GLY HA3 H -2.093 5.927 -2.753 1.00 . A A . 4 GLY HA3 1 1
10 1846 1 1 4 GLY N N -1.163 4.130 -2.164 1.00 . A A . 4 GLY N 1 1
10 1847 1 1 4 GLY O O -3.779 5.954 -0.889 1.00 . A A . 4 GLY O 1 1
10 1848 1 1 5 GLU C C -2.175 5.395 3.023 1.00 . A A . 5 GLU C 1 1
10 1849 1 1 5 GLU CA C -3.069 5.214 1.762 1.00 . A A . 5 GLU CA 1 1
10 1850 1 1 5 GLU CB C -3.983 3.949 1.869 1.00 . A A . 5 GLU CB 1 1
10 1851 1 1 5 GLU CD C -3.316 1.874 0.385 1.00 . A A . 5 GLU CD 1 1
10 1852 1 1 5 GLU CG C -3.333 2.535 1.785 1.00 . A A . 5 GLU CG 1 1
10 1853 1 1 5 GLU H H -1.242 4.840 0.615 1.00 . A A . 5 GLU H 1 1
10 1854 1 1 5 GLU HA H -3.751 6.087 1.693 1.00 . A A . 5 GLU HA 1 1
10 1855 1 1 5 GLU HB2 H -4.537 4.007 2.825 1.00 . A A . 5 GLU HB2 1 1
10 1856 1 1 5 GLU HB3 H -4.790 4.021 1.113 1.00 . A A . 5 GLU HB3 1 1
10 1857 1 1 5 GLU HG2 H -2.304 2.571 2.189 1.00 . A A . 5 GLU HG2 1 1
10 1858 1 1 5 GLU HG3 H -3.882 1.879 2.486 1.00 . A A . 5 GLU HG3 1 1
10 1859 1 1 5 GLU N N -2.197 5.213 0.557 1.00 . A A . 5 GLU N 1 1
10 1860 1 1 5 GLU O O -1.249 4.607 3.253 1.00 . A A . 5 GLU O 1 1
10 1861 1 1 5 GLU OE1 O -3.573 2.528 -0.630 1.00 . A A . 5 GLU OE1 1 1
10 1862 1 1 6 SER C C -2.199 5.777 6.249 1.00 . A A . 6 SER C 1 1
10 1863 1 1 6 SER CA C -1.686 6.689 5.093 1.00 . A A . 6 SER CA 1 1
10 1864 1 1 6 SER CB C -1.772 8.196 5.420 1.00 . A A . 6 SER CB 1 1
10 1865 1 1 6 SER H H -3.189 7.070 3.531 1.00 . A A . 6 SER H 1 1
10 1866 1 1 6 SER HA H -0.615 6.477 4.893 1.00 . A A . 6 SER HA 1 1
10 1867 1 1 6 SER HB2 H -1.458 8.805 4.550 1.00 . A A . 6 SER HB2 1 1
10 1868 1 1 6 SER HB3 H -2.813 8.499 5.648 1.00 . A A . 6 SER HB3 1 1
10 1869 1 1 6 SER HG H -1.045 9.458 6.687 1.00 . A A . 6 SER HG 1 1
10 1870 1 1 6 SER N N -2.461 6.422 3.851 1.00 . A A . 6 SER N 1 1
10 1871 1 1 6 SER O O -3.230 6.048 6.874 1.00 . A A . 6 SER O 1 1
10 1872 1 1 6 SER OG O -0.933 8.518 6.525 1.00 . A A . 6 SER OG 1 1
10 1873 1 1 7 GLY C C -1.122 2.359 7.217 1.00 . A A . 7 GLY C 1 1
10 1874 1 1 7 GLY CA C -1.802 3.698 7.541 1.00 . A A . 7 GLY CA 1 1
10 1875 1 1 7 GLY H H -0.646 4.570 5.880 1.00 . A A . 7 GLY H 1 1
10 1876 1 1 7 GLY HA2 H -1.455 4.063 8.526 1.00 . A A . 7 GLY HA2 1 1
10 1877 1 1 7 GLY HA3 H -2.899 3.567 7.635 1.00 . A A . 7 GLY HA3 1 1
10 1878 1 1 7 GLY N N -1.458 4.687 6.497 1.00 . A A . 7 GLY N 1 1
10 1879 1 1 7 GLY O O -0.029 2.088 7.721 1.00 . A A . 7 GLY O 1 1
10 1880 1 1 8 LYS C C -0.320 0.349 4.698 1.00 . A A . 8 LYS C 1 1
10 1881 1 1 8 LYS CA C -1.227 0.215 5.958 1.00 . A A . 8 LYS CA 1 1
10 1882 1 1 8 LYS CB C -2.358 -0.835 5.746 1.00 . A A . 8 LYS CB 1 1
10 1883 1 1 8 LYS CD C -4.247 -1.848 4.307 1.00 . A A . 8 LYS CD 1 1
10 1884 1 1 8 LYS CE C -5.140 -1.664 3.066 1.00 . A A . 8 LYS CE 1 1
10 1885 1 1 8 LYS CG C -3.341 -0.628 4.563 1.00 . A A . 8 LYS CG 1 1
10 1886 1 1 8 LYS H H -2.657 1.902 6.006 1.00 . A A . 8 LYS H 1 1
10 1887 1 1 8 LYS HA H -0.619 -0.185 6.796 1.00 . A A . 8 LYS HA 1 1
10 1888 1 1 8 LYS HB2 H -1.870 -1.822 5.624 1.00 . A A . 8 LYS HB2 1 1
10 1889 1 1 8 LYS HB3 H -2.939 -0.935 6.683 1.00 . A A . 8 LYS HB3 1 1
10 1890 1 1 8 LYS HD2 H -3.612 -2.747 4.177 1.00 . A A . 8 LYS HD2 1 1
10 1891 1 1 8 LYS HD3 H -4.869 -2.042 5.203 1.00 . A A . 8 LYS HD3 1 1
10 1892 1 1 8 LYS HE2 H -5.816 -0.797 3.201 1.00 . A A . 8 LYS HE2 1 1
10 1893 1 1 8 LYS HE3 H -4.520 -1.433 2.177 1.00 . A A . 8 LYS HE3 1 1
10 1894 1 1 8 LYS HG2 H -3.955 0.276 4.743 1.00 . A A . 8 LYS HG2 1 1
10 1895 1 1 8 LYS HG3 H -2.773 -0.421 3.638 1.00 . A A . 8 LYS HG3 1 1
10 1896 1 1 8 LYS HZ1 H -6.540 -3.124 3.592 1.00 . A A . 8 LYS HZ1 1 1
10 1897 1 1 8 LYS HZ2 H -6.543 -2.775 1.979 1.00 . A A . 8 LYS HZ2 1 1
10 1898 1 1 8 LYS HZ3 H -5.334 -3.695 2.623 1.00 . A A . 8 LYS HZ3 1 1
10 1899 1 1 8 LYS N N -1.774 1.533 6.376 1.00 . A A . 8 LYS N 1 1
10 1900 1 1 8 LYS NZ N -5.935 -2.880 2.800 1.00 . A A . 8 LYS NZ 1 1
10 1901 1 1 8 LYS O O -0.694 1.003 3.717 1.00 . A A . 8 LYS O 1 1
10 1902 1 1 9 LEU C C 1.644 -1.608 2.734 1.00 . A A . 9 LEU C 1 1
10 1903 1 1 9 LEU CA C 1.806 -0.284 3.567 1.00 . A A . 9 LEU CA 1 1
10 1904 1 1 9 LEU CB C 3.265 -0.032 4.074 1.00 . A A . 9 LEU CB 1 1
10 1905 1 1 9 LEU CD1 C 2.974 1.953 5.751 1.00 . A A . 9 LEU CD1 1 1
10 1906 1 1 9 LEU CD2 C 5.228 1.406 4.789 1.00 . A A . 9 LEU CD2 1 1
10 1907 1 1 9 LEU CG C 3.711 1.399 4.514 1.00 . A A . 9 LEU CG 1 1
10 1908 1 1 9 LEU H H 1.077 -0.784 5.600 1.00 . A A . 9 LEU H 1 1
10 1909 1 1 9 LEU HA H 1.550 0.527 2.856 1.00 . A A . 9 LEU HA 1 1
10 1910 1 1 9 LEU HB2 H 3.503 -0.758 4.877 1.00 . A A . 9 LEU HB2 1 1
10 1911 1 1 9 LEU HB3 H 3.946 -0.321 3.250 1.00 . A A . 9 LEU HB3 1 1
10 1912 1 1 9 LEU HD11 H 3.384 2.929 6.073 1.00 . A A . 9 LEU HD11 1 1
10 1913 1 1 9 LEU HD12 H 1.903 2.127 5.545 1.00 . A A . 9 LEU HD12 1 1
10 1914 1 1 9 LEU HD13 H 3.038 1.269 6.617 1.00 . A A . 9 LEU HD13 1 1
10 1915 1 1 9 LEU HD21 H 5.805 1.083 3.902 1.00 . A A . 9 LEU HD21 1 1
10 1916 1 1 9 LEU HD22 H 5.594 2.418 5.049 1.00 . A A . 9 LEU HD22 1 1
10 1917 1 1 9 LEU HD23 H 5.506 0.734 5.622 1.00 . A A . 9 LEU HD23 1 1
10 1918 1 1 9 LEU HG H 3.550 2.112 3.683 1.00 . A A . 9 LEU HG 1 1
10 1919 1 1 9 LEU N N 0.862 -0.294 4.725 1.00 . A A . 9 LEU N 1 1
10 1920 1 1 9 LEU O O 2.613 -2.332 2.485 1.00 . A A . 9 LEU O 1 1
10 1921 1 1 10 ILE C C -1.382 -2.818 0.908 1.00 . A A . 10 ILE C 1 1
10 1922 1 1 10 ILE CA C 0.047 -3.101 1.479 1.00 . A A . 10 ILE CA 1 1
10 1923 1 1 10 ILE CB C 0.230 -4.461 2.253 1.00 . A A . 10 ILE CB 1 1
10 1924 1 1 10 ILE CD1 C -1.099 -6.125 0.671 1.00 . A A . 10 ILE CD1 1 1
10 1925 1 1 10 ILE CG1 C 0.221 -5.732 1.356 1.00 . A A . 10 ILE CG1 1 1
10 1926 1 1 10 ILE CG2 C -0.607 -4.647 3.545 1.00 . A A . 10 ILE CG2 1 1
10 1927 1 1 10 ILE H H -0.317 -1.233 2.583 1.00 . A A . 10 ILE H 1 1
10 1928 1 1 10 ILE HA H 0.764 -3.161 0.634 1.00 . A A . 10 ILE HA 1 1
10 1929 1 1 10 ILE HB H 1.273 -4.427 2.613 1.00 . A A . 10 ILE HB 1 1
10 1930 1 1 10 ILE HD11 H -1.006 -7.100 0.162 1.00 . A A . 10 ILE HD11 1 1
10 1931 1 1 10 ILE HD12 H -1.930 -6.208 1.395 1.00 . A A . 10 ILE HD12 1 1
10 1932 1 1 10 ILE HD13 H -1.397 -5.391 -0.099 1.00 . A A . 10 ILE HD13 1 1
10 1933 1 1 10 ILE HG12 H 0.998 -5.625 0.576 1.00 . A A . 10 ILE HG12 1 1
10 1934 1 1 10 ILE HG13 H 0.562 -6.595 1.960 1.00 . A A . 10 ILE HG13 1 1
10 1935 1 1 10 ILE HG21 H -0.279 -5.536 4.115 1.00 . A A . 10 ILE HG21 1 1
10 1936 1 1 10 ILE HG22 H -0.507 -3.781 4.225 1.00 . A A . 10 ILE HG22 1 1
10 1937 1 1 10 ILE HG23 H -1.684 -4.777 3.340 1.00 . A A . 10 ILE HG23 1 1
10 1938 1 1 10 ILE N N 0.403 -1.898 2.282 1.00 . A A . 10 ILE N 1 1
10 1939 1 1 10 ILE O O -2.388 -3.274 1.463 1.00 . A A . 10 ILE O 1 1
10 1940 1 1 11 . C C -3.019 -0.172 -0.963 1.00 . A A . 11 SET C 1 1
10 1941 1 1 11 . CA C -2.779 -1.702 -0.841 1.00 . A A . 11 SET CA 1 1
10 1942 1 1 11 . CB C -3.011 -2.424 -2.207 1.00 . A A . 11 SET CB 1 1
10 1943 1 1 11 . H H -0.624 -1.489 -0.348 1.00 . A A . 11 SET H 1 1
10 1944 1 1 11 . HA H -3.607 -2.055 -0.195 1.00 . A A . 11 SET HA 1 1
10 1945 1 1 11 . HB2 H -2.278 0.284 -1.642 1.00 . A A . 11 SET HB2 1 1
10 1946 1 1 11 . HB3 H -3.999 0.000 -1.455 1.00 . A A . 11 SET HB3 1 1
10 1947 1 1 11 . HNT2 H -2.826 0.093 1.215 1.00 . A A . 11 SET HNT2 1 1
10 1948 1 1 11 . N N -1.471 -2.047 -0.195 1.00 . A A . 11 SET N 1 1
10 1949 1 1 11 . NT N -3.026 0.563 0.326 1.00 . A A . 11 SET NT 1 1
10 1950 1 1 11 . OG O -4.082 -3.018 -2.365 1.00 . A A . 11 SET OG 1 1
10 1951 1 1 12 THR C C -1.113 -4.087 -4.723 1.00 . A A . 12 THR C 1 1
10 1952 1 1 12 THR CA C -2.239 -3.030 -4.518 1.00 . A A . 12 THR CA 1 1
10 1953 1 1 12 THR CB C -2.493 -1.977 -5.647 1.00 . A A . 12 THR CB 1 1
10 1954 1 1 12 THR CG2 C -1.434 -0.879 -5.875 1.00 . A A . 12 THR CG2 1 1
10 1955 1 1 12 THR H H -1.175 -1.948 -2.947 1.00 . A A . 12 THR H 1 1
10 1956 1 1 12 THR HA H -3.169 -3.632 -4.513 1.00 . A A . 12 THR HA 1 1
10 1957 1 1 12 THR HB H -3.439 -1.457 -5.399 1.00 . A A . 12 THR HB 1 1
10 1958 1 1 12 THR HG1 H -2.862 -1.966 -7.535 1.00 . A A . 12 THR HG1 1 1
10 1959 1 1 12 THR HG21 H -1.216 -0.316 -4.949 1.00 . A A . 12 THR HG21 1 1
10 1960 1 1 12 THR HG22 H -0.478 -1.287 -6.248 1.00 . A A . 12 THR HG22 1 1
10 1961 1 1 12 THR HG23 H -1.777 -0.141 -6.623 1.00 . A A . 12 THR HG23 1 1
10 1962 1 1 12 THR N N -2.075 -2.373 -3.188 1.00 . A A . 12 THR N 1 1
10 1963 1 1 12 THR O O -1.371 -5.277 -4.514 1.00 . A A . 12 THR O 1 1
10 1964 1 1 12 THR OG1 O -2.696 -2.651 -6.883 1.00 . A A . 12 THR OG1 1 1
10 1965 1 1 13 THR C C 2.046 -4.731 -3.974 1.00 . A A . 13 THR C 1 1
10 1966 1 1 13 THR CA C 1.257 -4.620 -5.313 1.00 . A A . 13 THR CA 1 1
10 1967 1 1 13 THR CB C 2.156 -4.176 -6.510 1.00 . A A . 13 THR CB 1 1
10 1968 1 1 13 THR CG2 C 3.241 -5.200 -6.889 1.00 . A A . 13 THR CG2 1 1
10 1969 1 1 13 THR H H 0.191 -2.670 -5.261 1.00 . A A . 13 THR H 1 1
10 1970 1 1 13 THR HA H 0.852 -5.614 -5.596 1.00 . A A . 13 THR HA 1 1
10 1971 1 1 13 THR HB H 2.669 -3.224 -6.271 1.00 . A A . 13 THR HB 1 1
10 1972 1 1 13 THR HG1 H 1.979 -3.792 -8.388 1.00 . A A . 13 THR HG1 1 1
10 1973 1 1 13 THR HG21 H 3.946 -5.379 -6.057 1.00 . A A . 13 THR HG21 1 1
10 1974 1 1 13 THR HG22 H 2.805 -6.177 -7.171 1.00 . A A . 13 THR HG22 1 1
10 1975 1 1 13 THR HG23 H 3.844 -4.850 -7.748 1.00 . A A . 13 THR HG23 1 1
10 1976 1 1 13 THR N N 0.117 -3.680 -5.098 1.00 . A A . 13 THR N 1 1
10 1977 1 1 13 THR O O 2.639 -3.751 -3.511 1.00 . A A . 13 THR O 1 1
10 1978 1 1 13 THR OG1 O 1.362 -3.978 -7.676 1.00 . A A . 13 THR OG1 1 1
10 1979 1 1 14 ALA C C 4.299 -6.248 -2.215 1.00 . A A . 14 ALA C 1 1
10 1980 1 1 14 ALA CA C 2.756 -6.203 -2.095 1.00 . A A . 14 ALA CA 1 1
10 1981 1 1 14 ALA CB C 2.202 -7.510 -1.499 1.00 . A A . 14 ALA CB 1 1
10 1982 1 1 14 ALA H H 1.486 -6.652 -3.844 1.00 . A A . 14 ALA H 1 1
10 1983 1 1 14 ALA HXT H 4.011 -7.557 -3.624 1.00 . A A . 14 ALA HXT 1 1
10 1984 1 1 14 ALA HA H 2.500 -5.396 -1.383 1.00 . A A . 14 ALA HA 1 1
10 1985 1 1 14 ALA HB1 H 2.642 -7.720 -0.506 1.00 . A A . 14 ALA HB1 1 1
10 1986 1 1 14 ALA HB2 H 1.106 -7.462 -1.351 1.00 . A A . 14 ALA HB2 1 1
10 1987 1 1 14 ALA HB3 H 2.407 -8.390 -2.139 1.00 . A A . 14 ALA HB3 1 1
10 1988 1 1 14 ALA N N 2.057 -5.938 -3.378 1.00 . A A . 14 ALA N 1 1
10 1989 1 1 14 ALA O O 5.044 -5.564 -1.514 1.00 . A A . 14 ALA O 1 1
10 1990 1 1 14 ALA OXT O 4.741 -7.127 -3.175 1.00 . A A . 14 ALA OXT 1 1
11 1991 1 1 1 ACE C C 4.109 -0.708 -5.867 1.00 . A A . 1 ACE C 1 1
11 1992 1 1 1 ACE CH3 C 4.526 -1.804 -6.844 1.00 . A A . 1 ACE CH3 1 1
11 1993 1 1 1 ACE H1 H 3.729 -2.081 -7.560 1.00 . A A . 1 ACE H1 1 1
11 1994 1 1 1 ACE H2 H 5.405 -1.483 -7.432 1.00 . A A . 1 ACE H2 1 1
11 1995 1 1 1 ACE H3 H 4.810 -2.722 -6.298 1.00 . A A . 1 ACE H3 1 1
11 1996 1 1 1 ACE O O 4.770 -0.521 -4.843 1.00 . A A . 1 ACE O 1 1
11 1997 1 1 2 ILE C C 1.226 0.613 -4.592 1.00 . A A . 2 ILE C 1 1
11 1998 1 1 2 ILE CA C 2.488 1.115 -5.363 1.00 . A A . 2 ILE CA 1 1
11 1999 1 1 2 ILE CB C 2.274 2.448 -6.184 1.00 . A A . 2 ILE CB 1 1
11 2000 1 1 2 ILE CD1 C -0.276 2.937 -6.414 1.00 . A A . 2 ILE CD1 1 1
11 2001 1 1 2 ILE CG1 C 1.030 2.518 -7.124 1.00 . A A . 2 ILE CG1 1 1
11 2002 1 1 2 ILE CG2 C 3.553 2.952 -6.904 1.00 . A A . 2 ILE CG2 1 1
11 2003 1 1 2 ILE H H 2.493 -0.339 -7.003 1.00 . A A . 2 ILE H 1 1
11 2004 1 1 2 ILE HA H 3.241 1.376 -4.586 1.00 . A A . 2 ILE HA 1 1
11 2005 1 1 2 ILE HB H 2.117 3.239 -5.437 1.00 . A A . 2 ILE HB 1 1
11 2006 1 1 2 ILE HD11 H -1.093 3.107 -7.135 1.00 . A A . 2 ILE HD11 1 1
11 2007 1 1 2 ILE HD12 H -0.641 2.176 -5.701 1.00 . A A . 2 ILE HD12 1 1
11 2008 1 1 2 ILE HD13 H -0.148 3.873 -5.837 1.00 . A A . 2 ILE HD13 1 1
11 2009 1 1 2 ILE HG12 H 1.201 3.255 -7.932 1.00 . A A . 2 ILE HG12 1 1
11 2010 1 1 2 ILE HG13 H 0.887 1.554 -7.648 1.00 . A A . 2 ILE HG13 1 1
11 2011 1 1 2 ILE HG21 H 3.423 3.977 -7.303 1.00 . A A . 2 ILE HG21 1 1
11 2012 1 1 2 ILE HG22 H 4.419 2.998 -6.218 1.00 . A A . 2 ILE HG22 1 1
11 2013 1 1 2 ILE HG23 H 3.841 2.308 -7.754 1.00 . A A . 2 ILE HG23 1 1
11 2014 1 1 2 ILE N N 3.026 0.009 -6.202 1.00 . A A . 2 ILE N 1 1
11 2015 1 1 2 ILE O O 0.472 -0.262 -5.034 1.00 . A A . 2 ILE O 1 1
11 2016 1 1 3 TRP C C -0.826 2.355 -2.312 1.00 . A A . 3 TRP C 1 1
11 2017 1 1 3 TRP CA C -0.131 0.969 -2.523 1.00 . A A . 3 TRP CA 1 1
11 2018 1 1 3 TRP CB C 0.384 0.244 -1.243 1.00 . A A . 3 TRP CB 1 1
11 2019 1 1 3 TRP CD1 C 1.640 2.045 0.195 1.00 . A A . 3 TRP CD1 1 1
11 2020 1 1 3 TRP CD2 C 2.932 0.430 -0.614 1.00 . A A . 3 TRP CD2 1 1
11 2021 1 1 3 TRP CE2 C 3.734 1.400 0.041 1.00 . A A . 3 TRP CE2 1 1
11 2022 1 1 3 TRP CE3 C 3.539 -0.634 -1.329 1.00 . A A . 3 TRP CE3 1 1
11 2023 1 1 3 TRP CG C 1.610 0.831 -0.515 1.00 . A A . 3 TRP CG 1 1
11 2024 1 1 3 TRP CH2 C 5.722 0.238 -0.699 1.00 . A A . 3 TRP CH2 1 1
11 2025 1 1 3 TRP CZ2 C 5.145 1.305 -0.009 1.00 . A A . 3 TRP CZ2 1 1
11 2026 1 1 3 TRP CZ3 C 4.931 -0.715 -1.351 1.00 . A A . 3 TRP CZ3 1 1
11 2027 1 1 3 TRP H H 1.691 1.930 -3.152 1.00 . A A . 3 TRP H 1 1
11 2028 1 1 3 TRP HA H -0.838 0.261 -2.999 1.00 . A A . 3 TRP HA 1 1
11 2029 1 1 3 TRP HB2 H -0.445 0.135 -0.526 1.00 . A A . 3 TRP HB2 1 1
11 2030 1 1 3 TRP HB3 H 0.612 -0.803 -1.521 1.00 . A A . 3 TRP HB3 1 1
11 2031 1 1 3 TRP HD1 H 0.790 2.706 0.252 1.00 . A A . 3 TRP HD1 1 1
11 2032 1 1 3 TRP HE1 H 3.254 3.283 1.006 1.00 . A A . 3 TRP HE1 1 1
11 2033 1 1 3 TRP HE3 H 2.944 -1.349 -1.876 1.00 . A A . 3 TRP HE3 1 1
11 2034 1 1 3 TRP HH2 H 6.798 0.155 -0.746 1.00 . A A . 3 TRP HH2 1 1
11 2035 1 1 3 TRP HZ2 H 5.767 2.049 0.468 1.00 . A A . 3 TRP HZ2 1 1
11 2036 1 1 3 TRP HZ3 H 5.407 -1.513 -1.902 1.00 . A A . 3 TRP HZ3 1 1
11 2037 1 1 3 TRP N N 0.998 1.240 -3.436 1.00 . A A . 3 TRP N 1 1
11 2038 1 1 3 TRP NE1 N 2.945 2.406 0.574 1.00 . A A . 3 TRP NE1 1 1
11 2039 1 1 3 TRP O O -0.199 3.337 -1.900 1.00 . A A . 3 TRP O 1 1
11 2040 1 1 4 GLY C C -3.430 4.127 -1.105 1.00 . A A . 4 GLY C 1 1
11 2041 1 1 4 GLY CA C -2.910 3.701 -2.505 1.00 . A A . 4 GLY CA 1 1
11 2042 1 1 4 GLY H H -2.473 1.610 -3.111 1.00 . A A . 4 GLY H 1 1
11 2043 1 1 4 GLY HA2 H -2.347 4.541 -2.957 1.00 . A A . 4 GLY HA2 1 1
11 2044 1 1 4 GLY HA3 H -3.785 3.600 -3.178 1.00 . A A . 4 GLY HA3 1 1
11 2045 1 1 4 GLY N N -2.128 2.439 -2.623 1.00 . A A . 4 GLY N 1 1
11 2046 1 1 4 GLY O O -4.645 4.246 -0.931 1.00 . A A . 4 GLY O 1 1
11 2047 1 1 5 GLU C C -1.577 5.205 1.991 1.00 . A A . 5 GLU C 1 1
11 2048 1 1 5 GLU CA C -2.889 4.822 1.246 1.00 . A A . 5 GLU CA 1 1
11 2049 1 1 5 GLU CB C -3.764 3.837 2.096 1.00 . A A . 5 GLU CB 1 1
11 2050 1 1 5 GLU CD C -2.798 1.497 1.415 1.00 . A A . 5 GLU CD 1 1
11 2051 1 1 5 GLU CG C -3.190 2.460 2.550 1.00 . A A . 5 GLU CG 1 1
11 2052 1 1 5 GLU H H -1.551 4.166 -0.365 1.00 . A A . 5 GLU H 1 1
11 2053 1 1 5 GLU HA H -3.501 5.739 1.126 1.00 . A A . 5 GLU HA 1 1
11 2054 1 1 5 GLU HB2 H -4.065 4.387 3.012 1.00 . A A . 5 GLU HB2 1 1
11 2055 1 1 5 GLU HB3 H -4.729 3.678 1.580 1.00 . A A . 5 GLU HB3 1 1
11 2056 1 1 5 GLU HG2 H -2.294 2.636 3.177 1.00 . A A . 5 GLU HG2 1 1
11 2057 1 1 5 GLU HG3 H -3.910 1.978 3.234 1.00 . A A . 5 GLU HG3 1 1
11 2058 1 1 5 GLU N N -2.529 4.386 -0.134 1.00 . A A . 5 GLU N 1 1
11 2059 1 1 5 GLU O O -0.657 4.383 2.094 1.00 . A A . 5 GLU O 1 1
11 2060 1 1 5 GLU OE1 O -1.705 1.653 0.872 1.00 . A A . 5 GLU OE1 1 1
11 2061 1 1 6 SER C C -0.388 6.445 4.765 1.00 . A A . 6 SER C 1 1
11 2062 1 1 6 SER CA C -0.294 6.902 3.278 1.00 . A A . 6 SER CA 1 1
11 2063 1 1 6 SER CB C -0.158 8.432 3.114 1.00 . A A . 6 SER CB 1 1
11 2064 1 1 6 SER H H -2.261 7.084 2.311 1.00 . A A . 6 SER H 1 1
11 2065 1 1 6 SER HA H 0.606 6.456 2.807 1.00 . A A . 6 SER HA 1 1
11 2066 1 1 6 SER HB2 H -0.159 8.712 2.043 1.00 . A A . 6 SER HB2 1 1
11 2067 1 1 6 SER HB3 H -1.015 8.962 3.572 1.00 . A A . 6 SER HB3 1 1
11 2068 1 1 6 SER HG H 1.070 9.845 3.581 1.00 . A A . 6 SER HG 1 1
11 2069 1 1 6 SER N N -1.494 6.440 2.531 1.00 . A A . 6 SER N 1 1
11 2070 1 1 6 SER O O -1.101 7.042 5.578 1.00 . A A . 6 SER O 1 1
11 2071 1 1 6 SER OG O 1.054 8.892 3.702 1.00 . A A . 6 SER OG 1 1
11 2072 1 1 7 GLY C C 0.800 3.306 6.353 1.00 . A A . 7 GLY C 1 1
11 2073 1 1 7 GLY CA C 0.356 4.775 6.441 1.00 . A A . 7 GLY CA 1 1
11 2074 1 1 7 GLY H H 0.859 4.949 4.303 1.00 . A A . 7 GLY H 1 1
11 2075 1 1 7 GLY HA2 H 1.060 5.339 7.081 1.00 . A A . 7 GLY HA2 1 1
11 2076 1 1 7 GLY HA3 H -0.633 4.854 6.935 1.00 . A A . 7 GLY HA3 1 1
11 2077 1 1 7 GLY N N 0.338 5.364 5.085 1.00 . A A . 7 GLY N 1 1
11 2078 1 1 7 GLY O O 1.978 3.005 6.557 1.00 . A A . 7 GLY O 1 1
11 2079 1 1 8 LYS C C 0.646 0.612 4.467 1.00 . A A . 8 LYS C 1 1
11 2080 1 1 8 LYS CA C 0.130 0.951 5.899 1.00 . A A . 8 LYS CA 1 1
11 2081 1 1 8 LYS CB C -1.110 0.096 6.295 1.00 . A A . 8 LYS CB 1 1
11 2082 1 1 8 LYS CD C -3.475 -0.805 5.792 1.00 . A A . 8 LYS CD 1 1
11 2083 1 1 8 LYS CE C -4.693 -0.727 4.853 1.00 . A A . 8 LYS CE 1 1
11 2084 1 1 8 LYS CG C -2.371 0.195 5.399 1.00 . A A . 8 LYS CG 1 1
11 2085 1 1 8 LYS H H -1.081 2.801 5.870 1.00 . A A . 8 LYS H 1 1
11 2086 1 1 8 LYS HA H 0.918 0.682 6.633 1.00 . A A . 8 LYS HA 1 1
11 2087 1 1 8 LYS HB2 H -0.789 -0.963 6.332 1.00 . A A . 8 LYS HB2 1 1
11 2088 1 1 8 LYS HB3 H -1.390 0.332 7.340 1.00 . A A . 8 LYS HB3 1 1
11 2089 1 1 8 LYS HD2 H -3.055 -1.830 5.777 1.00 . A A . 8 LYS HD2 1 1
11 2090 1 1 8 LYS HD3 H -3.787 -0.620 6.838 1.00 . A A . 8 LYS HD3 1 1
11 2091 1 1 8 LYS HE2 H -5.153 0.279 4.901 1.00 . A A . 8 LYS HE2 1 1
11 2092 1 1 8 LYS HE3 H -4.378 -0.868 3.801 1.00 . A A . 8 LYS HE3 1 1
11 2093 1 1 8 LYS HG2 H -2.767 1.228 5.433 1.00 . A A . 8 LYS HG2 1 1
11 2094 1 1 8 LYS HG3 H -2.091 0.017 4.343 1.00 . A A . 8 LYS HG3 1 1
11 2095 1 1 8 LYS HZ1 H -6.524 -1.710 4.594 1.00 . A A . 8 LYS HZ1 1 1
11 2096 1 1 8 LYS HZ2 H -5.317 -2.701 5.124 1.00 . A A . 8 LYS HZ2 1 1
11 2097 1 1 8 LYS HZ3 H -6.033 -1.645 6.168 1.00 . A A . 8 LYS HZ3 1 1
11 2098 1 1 8 LYS N N -0.152 2.404 6.047 1.00 . A A . 8 LYS N 1 1
11 2099 1 1 8 LYS NZ N -5.699 -1.751 5.204 1.00 . A A . 8 LYS NZ 1 1
11 2100 1 1 8 LYS O O 0.146 1.145 3.468 1.00 . A A . 8 LYS O 1 1
11 2101 1 1 9 LEU C C 1.471 -2.023 2.513 1.00 . A A . 9 LEU C 1 1
11 2102 1 1 9 LEU CA C 2.201 -0.743 3.070 1.00 . A A . 9 LEU CA 1 1
11 2103 1 1 9 LEU CB C 3.746 -0.948 3.223 1.00 . A A . 9 LEU CB 1 1
11 2104 1 1 9 LEU CD1 C 4.588 0.772 5.008 1.00 . A A . 9 LEU CD1 1 1
11 2105 1 1 9 LEU CD2 C 6.159 -0.157 3.295 1.00 . A A . 9 LEU CD2 1 1
11 2106 1 1 9 LEU CG C 4.694 0.249 3.560 1.00 . A A . 9 LEU CG 1 1
11 2107 1 1 9 LEU H H 1.973 -0.666 5.272 1.00 . A A . 9 LEU H 1 1
11 2108 1 1 9 LEU HA H 2.044 0.041 2.306 1.00 . A A . 9 LEU HA 1 1
11 2109 1 1 9 LEU HB2 H 3.934 -1.769 3.943 1.00 . A A . 9 LEU HB2 1 1
11 2110 1 1 9 LEU HB3 H 4.092 -1.358 2.254 1.00 . A A . 9 LEU HB3 1 1
11 2111 1 1 9 LEU HD11 H 5.350 1.544 5.224 1.00 . A A . 9 LEU HD11 1 1
11 2112 1 1 9 LEU HD12 H 3.614 1.252 5.204 1.00 . A A . 9 LEU HD12 1 1
11 2113 1 1 9 LEU HD13 H 4.718 -0.035 5.754 1.00 . A A . 9 LEU HD13 1 1
11 2114 1 1 9 LEU HD21 H 6.311 -0.486 2.251 1.00 . A A . 9 LEU HD21 1 1
11 2115 1 1 9 LEU HD22 H 6.856 0.686 3.461 1.00 . A A . 9 LEU HD22 1 1
11 2116 1 1 9 LEU HD23 H 6.487 -0.988 3.949 1.00 . A A . 9 LEU HD23 1 1
11 2117 1 1 9 LEU HG H 4.476 1.097 2.885 1.00 . A A . 9 LEU HG 1 1
11 2118 1 1 9 LEU N N 1.622 -0.309 4.377 1.00 . A A . 9 LEU N 1 1
11 2119 1 1 9 LEU O O 2.119 -2.986 2.086 1.00 . A A . 9 LEU O 1 1
11 2120 1 1 10 ILE C C -2.096 -2.631 1.552 1.00 . A A . 10 ILE C 1 1
11 2121 1 1 10 ILE CA C -0.699 -3.173 1.999 1.00 . A A . 10 ILE CA 1 1
11 2122 1 1 10 ILE CB C -0.718 -4.366 3.029 1.00 . A A . 10 ILE CB 1 1
11 2123 1 1 10 ILE CD1 C -2.725 -5.833 2.097 1.00 . A A . 10 ILE CD1 1 1
11 2124 1 1 10 ILE CG1 C -1.234 -5.722 2.462 1.00 . A A . 10 ILE CG1 1 1
11 2125 1 1 10 ILE CG2 C -1.306 -4.063 4.432 1.00 . A A . 10 ILE CG2 1 1
11 2126 1 1 10 ILE H H -0.319 -1.175 2.856 1.00 . A A . 10 ILE H 1 1
11 2127 1 1 10 ILE HA H -0.191 -3.597 1.109 1.00 . A A . 10 ILE HA 1 1
11 2128 1 1 10 ILE HB H 0.350 -4.571 3.225 1.00 . A A . 10 ILE HB 1 1
11 2129 1 1 10 ILE HD11 H -2.992 -6.870 1.829 1.00 . A A . 10 ILE HD11 1 1
11 2130 1 1 10 ILE HD12 H -3.380 -5.530 2.934 1.00 . A A . 10 ILE HD12 1 1
11 2131 1 1 10 ILE HD13 H -2.986 -5.203 1.227 1.00 . A A . 10 ILE HD13 1 1
11 2132 1 1 10 ILE HG12 H -0.637 -5.992 1.570 1.00 . A A . 10 ILE HG12 1 1
11 2133 1 1 10 ILE HG13 H -1.002 -6.520 3.193 1.00 . A A . 10 ILE HG13 1 1
11 2134 1 1 10 ILE HG21 H -1.124 -4.896 5.137 1.00 . A A . 10 ILE HG21 1 1
11 2135 1 1 10 ILE HG22 H -0.849 -3.163 4.882 1.00 . A A . 10 ILE HG22 1 1
11 2136 1 1 10 ILE HG23 H -2.398 -3.897 4.408 1.00 . A A . 10 ILE HG23 1 1
11 2137 1 1 10 ILE N N 0.118 -2.023 2.479 1.00 . A A . 10 ILE N 1 1
11 2138 1 1 10 ILE O O -3.058 -2.639 2.326 1.00 . A A . 10 ILE O 1 1
11 2139 1 1 11 . C C -3.588 -0.088 -0.310 1.00 . A A . 11 SET C 1 1
11 2140 1 1 11 . CA C -3.478 -1.637 -0.281 1.00 . A A . 11 SET CA 1 1
11 2141 1 1 11 . CB C -3.803 -2.305 -1.659 1.00 . A A . 11 SET CB 1 1
11 2142 1 1 11 . H H -1.279 -1.845 -0.047 1.00 . A A . 11 SET H 1 1
11 2143 1 1 11 . HA H -4.314 -1.966 0.370 1.00 . A A . 11 SET HA 1 1
11 2144 1 1 11 . HB2 H -2.786 0.350 -0.928 1.00 . A A . 11 SET HB2 1 1
11 2145 1 1 11 . HB3 H -4.520 0.203 -0.835 1.00 . A A . 11 SET HB3 1 1
11 2146 1 1 11 . HNT2 H -4.559 0.492 1.542 1.00 . A A . 11 SET HNT2 1 1
11 2147 1 1 11 . N N -2.194 -2.151 0.297 1.00 . A A . 11 SET N 1 1
11 2148 1 1 11 . NT N -3.677 0.555 1.024 1.00 . A A . 11 SET NT 1 1
11 2149 1 1 11 . OG O -4.876 -2.907 -1.760 1.00 . A A . 11 SET OG 1 1
11 2150 1 1 12 THR C C -1.979 -3.740 -4.365 1.00 . A A . 12 THR C 1 1
11 2151 1 1 12 THR CA C -3.210 -2.841 -4.041 1.00 . A A . 12 THR CA 1 1
11 2152 1 1 12 THR CB C -3.727 -1.833 -5.118 1.00 . A A . 12 THR CB 1 1
11 2153 1 1 12 THR CG2 C -2.850 -0.617 -5.471 1.00 . A A . 12 THR CG2 1 1
11 2154 1 1 12 THR H H -2.031 -1.796 -2.553 1.00 . A A . 12 THR H 1 1
11 2155 1 1 12 THR HA H -4.045 -3.562 -3.938 1.00 . A A . 12 THR HA 1 1
11 2156 1 1 12 THR HB H -4.691 -1.433 -4.749 1.00 . A A . 12 THR HB 1 1
11 2157 1 1 12 THR HG1 H -4.348 -1.888 -6.939 1.00 . A A . 12 THR HG1 1 1
11 2158 1 1 12 THR HG21 H -2.578 -0.031 -4.576 1.00 . A A . 12 THR HG21 1 1
11 2159 1 1 12 THR HG22 H -1.914 -0.907 -5.979 1.00 . A A . 12 THR HG22 1 1
11 2160 1 1 12 THR HG23 H -3.380 0.071 -6.154 1.00 . A A . 12 THR HG23 1 1
11 2161 1 1 12 THR N N -2.954 -2.204 -2.716 1.00 . A A . 12 THR N 1 1
11 2162 1 1 12 THR O O -2.064 -4.952 -4.144 1.00 . A A . 12 THR O 1 1
11 2163 1 1 12 THR OG1 O -3.997 -2.537 -6.325 1.00 . A A . 12 THR OG1 1 1
11 2164 1 1 13 THR C C 1.369 -3.703 -3.968 1.00 . A A . 13 THR C 1 1
11 2165 1 1 13 THR CA C 0.383 -3.968 -5.147 1.00 . A A . 13 THR CA 1 1
11 2166 1 1 13 THR CB C 0.961 -3.623 -6.553 1.00 . A A . 13 THR CB 1 1
11 2167 1 1 13 THR CG2 C 2.114 -4.548 -6.980 1.00 . A A . 13 THR CG2 1 1
11 2168 1 1 13 THR H H -0.905 -2.171 -5.023 1.00 . A A . 13 THR H 1 1
11 2169 1 1 13 THR HA H 0.140 -5.051 -5.183 1.00 . A A . 13 THR HA 1 1
11 2170 1 1 13 THR HB H 1.333 -2.580 -6.568 1.00 . A A . 13 THR HB 1 1
11 2171 1 1 13 THR HG1 H -0.806 -3.252 -7.224 1.00 . A A . 13 THR HG1 1 1
11 2172 1 1 13 THR HG21 H 2.971 -4.487 -6.284 1.00 . A A . 13 THR HG21 1 1
11 2173 1 1 13 THR HG22 H 1.798 -5.607 -7.023 1.00 . A A . 13 THR HG22 1 1
11 2174 1 1 13 THR HG23 H 2.493 -4.280 -7.984 1.00 . A A . 13 THR HG23 1 1
11 2175 1 1 13 THR N N -0.848 -3.181 -4.848 1.00 . A A . 13 THR N 1 1
11 2176 1 1 13 THR O O 2.073 -2.688 -3.943 1.00 . A A . 13 THR O 1 1
11 2177 1 1 13 THR OG1 O -0.051 -3.749 -7.549 1.00 . A A . 13 THR OG1 1 1
11 2178 1 1 14 ALA C C 3.759 -4.849 -2.068 1.00 . A A . 14 ALA C 1 1
11 2179 1 1 14 ALA CA C 2.272 -4.523 -1.794 1.00 . A A . 14 ALA CA 1 1
11 2180 1 1 14 ALA CB C 1.692 -5.419 -0.685 1.00 . A A . 14 ALA CB 1 1
11 2181 1 1 14 ALA H H 0.730 -5.399 -3.108 1.00 . A A . 14 ALA H 1 1
11 2182 1 1 14 ALA HXT H 3.107 -6.514 -2.831 1.00 . A A . 14 ALA HXT 1 1
11 2183 1 1 14 ALA HA H 2.222 -3.485 -1.412 1.00 . A A . 14 ALA HA 1 1
11 2184 1 1 14 ALA HB1 H 2.252 -5.304 0.262 1.00 . A A . 14 ALA HB1 1 1
11 2185 1 1 14 ALA HB2 H 0.640 -5.164 -0.460 1.00 . A A . 14 ALA HB2 1 1
11 2186 1 1 14 ALA HB3 H 1.717 -6.493 -0.951 1.00 . A A . 14 ALA HB3 1 1
11 2187 1 1 14 ALA N N 1.402 -4.633 -2.993 1.00 . A A . 14 ALA N 1 1
11 2188 1 1 14 ALA O O 4.677 -4.087 -1.769 1.00 . A A . 14 ALA O 1 1
11 2189 1 1 14 ALA OXT O 3.942 -6.072 -2.668 1.00 . A A . 14 ALA OXT 1 1
12 2190 1 1 1 ACE C C 1.877 1.205 -7.486 1.00 . A A . 1 ACE C 1 1
12 2191 1 1 1 ACE CH3 C 1.420 0.895 -8.908 1.00 . A A . 1 ACE CH3 1 1
12 2192 1 1 1 ACE H1 H 1.778 1.657 -9.625 1.00 . A A . 1 ACE H1 1 1
12 2193 1 1 1 ACE H2 H 1.809 -0.082 -9.246 1.00 . A A . 1 ACE H2 1 1
12 2194 1 1 1 ACE H3 H 0.317 0.851 -8.977 1.00 . A A . 1 ACE H3 1 1
12 2195 1 1 1 ACE O O 2.568 0.396 -6.862 1.00 . A A . 1 ACE O 1 1
12 2196 1 1 2 ILE C C 0.590 2.693 -4.670 1.00 . A A . 2 ILE C 1 1
12 2197 1 1 2 ILE CA C 1.812 2.866 -5.628 1.00 . A A . 2 ILE CA 1 1
12 2198 1 1 2 ILE CB C 2.366 4.338 -5.629 1.00 . A A . 2 ILE CB 1 1
12 2199 1 1 2 ILE CD1 C 1.620 6.825 -5.545 1.00 . A A . 2 ILE CD1 1 1
12 2200 1 1 2 ILE CG1 C 1.391 5.434 -6.159 1.00 . A A . 2 ILE CG1 1 1
12 2201 1 1 2 ILE CG2 C 3.756 4.444 -6.306 1.00 . A A . 2 ILE CG2 1 1
12 2202 1 1 2 ILE H H 0.859 2.931 -7.605 1.00 . A A . 2 ILE H 1 1
12 2203 1 1 2 ILE HA H 2.634 2.237 -5.225 1.00 . A A . 2 ILE HA 1 1
12 2204 1 1 2 ILE HB H 2.556 4.582 -4.569 1.00 . A A . 2 ILE HB 1 1
12 2205 1 1 2 ILE HD11 H 0.889 7.558 -5.929 1.00 . A A . 2 ILE HD11 1 1
12 2206 1 1 2 ILE HD12 H 1.508 6.802 -4.444 1.00 . A A . 2 ILE HD12 1 1
12 2207 1 1 2 ILE HD13 H 2.630 7.216 -5.766 1.00 . A A . 2 ILE HD13 1 1
12 2208 1 1 2 ILE HG12 H 1.437 5.494 -7.263 1.00 . A A . 2 ILE HG12 1 1
12 2209 1 1 2 ILE HG13 H 0.345 5.154 -5.938 1.00 . A A . 2 ILE HG13 1 1
12 2210 1 1 2 ILE HG21 H 4.203 5.447 -6.181 1.00 . A A . 2 ILE HG21 1 1
12 2211 1 1 2 ILE HG22 H 4.477 3.724 -5.874 1.00 . A A . 2 ILE HG22 1 1
12 2212 1 1 2 ILE HG23 H 3.706 4.242 -7.392 1.00 . A A . 2 ILE HG23 1 1
12 2213 1 1 2 ILE N N 1.473 2.385 -6.997 1.00 . A A . 2 ILE N 1 1
12 2214 1 1 2 ILE O O -0.577 2.803 -5.065 1.00 . A A . 2 ILE O 1 1
12 2215 1 1 3 TRP C C -0.648 3.649 -1.806 1.00 . A A . 3 TRP C 1 1
12 2216 1 1 3 TRP CA C -0.120 2.273 -2.313 1.00 . A A . 3 TRP CA 1 1
12 2217 1 1 3 TRP CB C 0.389 1.353 -1.168 1.00 . A A . 3 TRP CB 1 1
12 2218 1 1 3 TRP CD1 C 2.481 2.577 -0.093 1.00 . A A . 3 TRP CD1 1 1
12 2219 1 1 3 TRP CD2 C 2.825 0.467 -0.715 1.00 . A A . 3 TRP CD2 1 1
12 2220 1 1 3 TRP CE2 C 4.016 1.005 -0.162 1.00 . A A . 3 TRP CE2 1 1
12 2221 1 1 3 TRP CE3 C 2.795 -0.874 -1.183 1.00 . A A . 3 TRP CE3 1 1
12 2222 1 1 3 TRP CG C 1.848 1.452 -0.670 1.00 . A A . 3 TRP CG 1 1
12 2223 1 1 3 TRP CH2 C 5.125 -1.114 -0.515 1.00 . A A . 3 TRP CH2 1 1
12 2224 1 1 3 TRP CZ2 C 5.177 0.204 -0.060 1.00 . A A . 3 TRP CZ2 1 1
12 2225 1 1 3 TRP CZ3 C 3.953 -1.645 -1.067 1.00 . A A . 3 TRP CZ3 1 1
12 2226 1 1 3 TRP H H 1.883 2.317 -3.198 1.00 . A A . 3 TRP H 1 1
12 2227 1 1 3 TRP HA H -0.965 1.696 -2.743 1.00 . A A . 3 TRP HA 1 1
12 2228 1 1 3 TRP HB2 H -0.289 1.463 -0.301 1.00 . A A . 3 TRP HB2 1 1
12 2229 1 1 3 TRP HB3 H 0.207 0.319 -1.507 1.00 . A A . 3 TRP HB3 1 1
12 2230 1 1 3 TRP HD1 H 2.019 3.541 0.055 1.00 . A A . 3 TRP HD1 1 1
12 2231 1 1 3 TRP HE1 H 4.511 2.958 0.643 1.00 . A A . 3 TRP HE1 1 1
12 2232 1 1 3 TRP HE3 H 1.900 -1.303 -1.609 1.00 . A A . 3 TRP HE3 1 1
12 2233 1 1 3 TRP HH2 H 6.004 -1.738 -0.436 1.00 . A A . 3 TRP HH2 1 1
12 2234 1 1 3 TRP HZ2 H 6.087 0.601 0.368 1.00 . A A . 3 TRP HZ2 1 1
12 2235 1 1 3 TRP HZ3 H 3.946 -2.671 -1.399 1.00 . A A . 3 TRP HZ3 1 1
12 2236 1 1 3 TRP N N 0.891 2.449 -3.386 1.00 . A A . 3 TRP N 1 1
12 2237 1 1 3 TRP NE1 N 3.825 2.318 0.228 1.00 . A A . 3 TRP NE1 1 1
12 2238 1 1 3 TRP O O -0.040 4.319 -0.967 1.00 . A A . 3 TRP O 1 1
12 2239 1 1 4 GLY C C -3.409 5.241 -0.753 1.00 . A A . 4 GLY C 1 1
12 2240 1 1 4 GLY CA C -2.470 5.329 -1.983 1.00 . A A . 4 GLY CA 1 1
12 2241 1 1 4 GLY H H -2.115 3.424 -3.093 1.00 . A A . 4 GLY H 1 1
12 2242 1 1 4 GLY HA2 H -1.731 6.143 -1.853 1.00 . A A . 4 GLY HA2 1 1
12 2243 1 1 4 GLY HA3 H -3.064 5.655 -2.861 1.00 . A A . 4 GLY HA3 1 1
12 2244 1 1 4 GLY N N -1.807 4.049 -2.342 1.00 . A A . 4 GLY N 1 1
12 2245 1 1 4 GLY O O -4.623 5.393 -0.909 1.00 . A A . 4 GLY O 1 1
12 2246 1 1 5 GLU C C -2.733 5.298 2.907 1.00 . A A . 5 GLU C 1 1
12 2247 1 1 5 GLU CA C -3.644 4.900 1.711 1.00 . A A . 5 GLU CA 1 1
12 2248 1 1 5 GLU CB C -4.305 3.497 1.918 1.00 . A A . 5 GLU CB 1 1
12 2249 1 1 5 GLU CD C -3.379 1.515 0.454 1.00 . A A . 5 GLU CD 1 1
12 2250 1 1 5 GLU CG C -3.415 2.222 1.831 1.00 . A A . 5 GLU CG 1 1
12 2251 1 1 5 GLU H H -1.845 4.816 0.466 1.00 . A A . 5 GLU H 1 1
12 2252 1 1 5 GLU HA H -4.480 5.628 1.656 1.00 . A A . 5 GLU HA 1 1
12 2253 1 1 5 GLU HB2 H -4.799 3.495 2.908 1.00 . A A . 5 GLU HB2 1 1
12 2254 1 1 5 GLU HB3 H -5.157 3.393 1.218 1.00 . A A . 5 GLU HB3 1 1
12 2255 1 1 5 GLU HG2 H -2.382 2.465 2.143 1.00 . A A . 5 GLU HG2 1 1
12 2256 1 1 5 GLU HG3 H -3.776 1.511 2.597 1.00 . A A . 5 GLU HG3 1 1
12 2257 1 1 5 GLU N N -2.854 5.011 0.456 1.00 . A A . 5 GLU N 1 1
12 2258 1 1 5 GLU O O -1.674 4.694 3.119 1.00 . A A . 5 GLU O 1 1
12 2259 1 1 5 GLU OE1 O -3.777 2.089 -0.564 1.00 . A A . 5 GLU OE1 1 1
12 2260 1 1 6 SER C C -2.660 5.861 6.110 1.00 . A A . 6 SER C 1 1
12 2261 1 1 6 SER CA C -2.374 6.774 4.880 1.00 . A A . 6 SER CA 1 1
12 2262 1 1 6 SER CB C -2.703 8.263 5.131 1.00 . A A . 6 SER CB 1 1
12 2263 1 1 6 SER H H -3.997 6.799 3.394 1.00 . A A . 6 SER H 1 1
12 2264 1 1 6 SER HA H -1.294 6.735 4.628 1.00 . A A . 6 SER HA 1 1
12 2265 1 1 6 SER HB2 H -2.512 8.864 4.221 1.00 . A A . 6 SER HB2 1 1
12 2266 1 1 6 SER HB3 H -3.774 8.405 5.372 1.00 . A A . 6 SER HB3 1 1
12 2267 1 1 6 SER HG H -2.171 8.312 6.984 1.00 . A A . 6 SER HG 1 1
12 2268 1 1 6 SER N N -3.151 6.308 3.701 1.00 . A A . 6 SER N 1 1
12 2269 1 1 6 SER O O -3.657 6.028 6.821 1.00 . A A . 6 SER O 1 1
12 2270 1 1 6 SER OG O -1.908 8.786 6.191 1.00 . A A . 6 SER OG 1 1
12 2271 1 1 7 GLY C C -0.977 2.710 7.129 1.00 . A A . 7 GLY C 1 1
12 2272 1 1 7 GLY CA C -1.872 3.920 7.436 1.00 . A A . 7 GLY CA 1 1
12 2273 1 1 7 GLY H H -1.000 4.849 5.640 1.00 . A A . 7 GLY H 1 1
12 2274 1 1 7 GLY HA2 H -1.550 4.391 8.384 1.00 . A A . 7 GLY HA2 1 1
12 2275 1 1 7 GLY HA3 H -2.923 3.603 7.594 1.00 . A A . 7 GLY HA3 1 1
12 2276 1 1 7 GLY N N -1.758 4.894 6.331 1.00 . A A . 7 GLY N 1 1
12 2277 1 1 7 GLY O O 0.174 2.670 7.571 1.00 . A A . 7 GLY O 1 1
12 2278 1 1 8 LYS C C 0.021 0.753 4.640 1.00 . A A . 8 LYS C 1 1
12 2279 1 1 8 LYS CA C -0.754 0.519 5.971 1.00 . A A . 8 LYS CA 1 1
12 2280 1 1 8 LYS CB C -1.674 -0.737 5.894 1.00 . A A . 8 LYS CB 1 1
12 2281 1 1 8 LYS CD C -3.419 -2.177 4.648 1.00 . A A . 8 LYS CD 1 1
12 2282 1 1 8 LYS CE C -4.384 -2.252 3.450 1.00 . A A . 8 LYS CE 1 1
12 2283 1 1 8 LYS CG C -2.743 -0.797 4.770 1.00 . A A . 8 LYS CG 1 1
12 2284 1 1 8 LYS H H -2.468 1.915 6.043 1.00 . A A . 8 LYS H 1 1
12 2285 1 1 8 LYS HA H -0.025 0.289 6.776 1.00 . A A . 8 LYS HA 1 1
12 2286 1 1 8 LYS HB2 H -1.014 -1.620 5.792 1.00 . A A . 8 LYS HB2 1 1
12 2287 1 1 8 LYS HB3 H -2.171 -0.882 6.872 1.00 . A A . 8 LYS HB3 1 1
12 2288 1 1 8 LYS HD2 H -2.637 -2.954 4.542 1.00 . A A . 8 LYS HD2 1 1
12 2289 1 1 8 LYS HD3 H -3.955 -2.411 5.589 1.00 . A A . 8 LYS HD3 1 1
12 2290 1 1 8 LYS HE2 H -5.196 -1.507 3.560 1.00 . A A . 8 LYS HE2 1 1
12 2291 1 1 8 LYS HE3 H -3.854 -1.991 2.513 1.00 . A A . 8 LYS HE3 1 1
12 2292 1 1 8 LYS HG2 H -3.503 -0.010 4.935 1.00 . A A . 8 LYS HG2 1 1
12 2293 1 1 8 LYS HG3 H -2.275 -0.558 3.798 1.00 . A A . 8 LYS HG3 1 1
12 2294 1 1 8 LYS HZ1 H -5.615 -3.673 2.529 1.00 . A A . 8 LYS HZ1 1 1
12 2295 1 1 8 LYS HZ2 H -4.237 -4.315 3.169 1.00 . A A . 8 LYS HZ2 1 1
12 2296 1 1 8 LYS HZ3 H -5.481 -3.883 4.161 1.00 . A A . 8 LYS HZ3 1 1
12 2297 1 1 8 LYS N N -1.513 1.734 6.369 1.00 . A A . 8 LYS N 1 1
12 2298 1 1 8 LYS NZ N -4.962 -3.605 3.319 1.00 . A A . 8 LYS NZ 1 1
12 2299 1 1 8 LYS O O -0.543 1.259 3.663 1.00 . A A . 8 LYS O 1 1
12 2300 1 1 9 LEU C C 2.193 -0.881 2.616 1.00 . A A . 9 LEU C 1 1
12 2301 1 1 9 LEU CA C 2.148 0.495 3.373 1.00 . A A . 9 LEU CA 1 1
12 2302 1 1 9 LEU CB C 3.559 1.058 3.750 1.00 . A A . 9 LEU CB 1 1
12 2303 1 1 9 LEU CD1 C 2.988 3.050 5.345 1.00 . A A . 9 LEU CD1 1 1
12 2304 1 1 9 LEU CD2 C 5.238 2.895 4.241 1.00 . A A . 9 LEU CD2 1 1
12 2305 1 1 9 LEU CG C 3.737 2.574 4.084 1.00 . A A . 9 LEU CG 1 1
12 2306 1 1 9 LEU H H 1.679 -0.017 5.480 1.00 . A A . 9 LEU H 1 1
12 2307 1 1 9 LEU HA H 1.684 1.196 2.651 1.00 . A A . 9 LEU HA 1 1
12 2308 1 1 9 LEU HB2 H 3.992 0.445 4.565 1.00 . A A . 9 LEU HB2 1 1
12 2309 1 1 9 LEU HB3 H 4.225 0.857 2.889 1.00 . A A . 9 LEU HB3 1 1
12 2310 1 1 9 LEU HD11 H 3.213 4.107 5.585 1.00 . A A . 9 LEU HD11 1 1
12 2311 1 1 9 LEU HD12 H 1.893 2.995 5.217 1.00 . A A . 9 LEU HD12 1 1
12 2312 1 1 9 LEU HD13 H 3.248 2.450 6.238 1.00 . A A . 9 LEU HD13 1 1
12 2313 1 1 9 LEU HD21 H 5.410 3.973 4.422 1.00 . A A . 9 LEU HD21 1 1
12 2314 1 1 9 LEU HD22 H 5.697 2.344 5.083 1.00 . A A . 9 LEU HD22 1 1
12 2315 1 1 9 LEU HD23 H 5.809 2.636 3.330 1.00 . A A . 9 LEU HD23 1 1
12 2316 1 1 9 LEU HG H 3.384 3.187 3.233 1.00 . A A . 9 LEU HG 1 1
12 2317 1 1 9 LEU N N 1.309 0.365 4.603 1.00 . A A . 9 LEU N 1 1
12 2318 1 1 9 LEU O O 3.265 -1.428 2.341 1.00 . A A . 9 LEU O 1 1
12 2319 1 1 10 ILE C C -0.626 -2.730 0.996 1.00 . A A . 10 ILE C 1 1
12 2320 1 1 10 ILE CA C 0.842 -2.715 1.539 1.00 . A A . 10 ILE CA 1 1
12 2321 1 1 10 ILE CB C 1.293 -3.966 2.384 1.00 . A A . 10 ILE CB 1 1
12 2322 1 1 10 ILE CD1 C 0.283 -5.935 0.926 1.00 . A A . 10 ILE CD1 1 1
12 2323 1 1 10 ILE CG1 C 1.514 -5.268 1.562 1.00 . A A . 10 ILE CG1 1 1
12 2324 1 1 10 ILE CG2 C 0.524 -4.226 3.705 1.00 . A A . 10 ILE CG2 1 1
12 2325 1 1 10 ILE H H 0.190 -0.886 2.574 1.00 . A A . 10 ILE H 1 1
12 2326 1 1 10 ILE HA H 1.532 -2.701 0.671 1.00 . A A . 10 ILE HA 1 1
12 2327 1 1 10 ILE HB H 2.315 -3.714 2.715 1.00 . A A . 10 ILE HB 1 1
12 2328 1 1 10 ILE HD11 H -0.518 -6.115 1.666 1.00 . A A . 10 ILE HD11 1 1
12 2329 1 1 10 ILE HD12 H -0.144 -5.321 0.113 1.00 . A A . 10 ILE HD12 1 1
12 2330 1 1 10 ILE HD13 H 0.548 -6.911 0.483 1.00 . A A . 10 ILE HD13 1 1
12 2331 1 1 10 ILE HG12 H 2.253 -5.070 0.762 1.00 . A A . 10 ILE HG12 1 1
12 2332 1 1 10 ILE HG13 H 2.011 -6.015 2.209 1.00 . A A . 10 ILE HG13 1 1
12 2333 1 1 10 ILE HG21 H 1.021 -5.001 4.317 1.00 . A A . 10 ILE HG21 1 1
12 2334 1 1 10 ILE HG22 H 0.467 -3.316 4.331 1.00 . A A . 10 ILE HG22 1 1
12 2335 1 1 10 ILE HG23 H -0.512 -4.569 3.534 1.00 . A A . 10 ILE HG23 1 1
12 2336 1 1 10 ILE N N 1.005 -1.421 2.260 1.00 . A A . 10 ILE N 1 1
12 2337 1 1 10 ILE O O -1.511 -3.372 1.573 1.00 . A A . 10 ILE O 1 1
12 2338 1 1 11 . C C -2.827 -0.499 -0.857 1.00 . A A . 11 SET C 1 1
12 2339 1 1 11 . CA C -2.243 -1.936 -0.741 1.00 . A A . 11 SET CA 1 1
12 2340 1 1 11 . CB C -2.289 -2.699 -2.103 1.00 . A A . 11 SET CB 1 1
12 2341 1 1 11 . H H -0.163 -1.296 -0.284 1.00 . A A . 11 SET H 1 1
12 2342 1 1 11 . HA H -2.970 -2.465 -0.094 1.00 . A A . 11 SET HA 1 1
12 2343 1 1 11 . HB2 H -2.260 0.094 -1.597 1.00 . A A . 11 SET HB2 1 1
12 2344 1 1 11 . HB3 H -3.855 -0.561 -1.271 1.00 . A A . 11 SET HB3 1 1
12 2345 1 1 11 . HNT2 H -2.593 -0.145 1.307 1.00 . A A . 11 SET HNT2 1 1
12 2346 1 1 11 . N N -0.885 -2.003 -0.109 1.00 . A A . 11 SET N 1 1
12 2347 1 1 11 . NT N -2.904 0.259 0.417 1.00 . A A . 11 SET NT 1 1
12 2348 1 1 11 . OG O -3.119 -3.603 -2.230 1.00 . A A . 11 SET OG 1 1
12 2349 1 1 12 THR C C -0.187 -3.985 -4.587 1.00 . A A . 12 THR C 1 1
12 2350 1 1 12 THR CA C -1.438 -3.047 -4.439 1.00 . A A . 12 THR CA 1 1
12 2351 1 1 12 THR CB C -1.624 -1.969 -5.557 1.00 . A A . 12 THR CB 1 1
12 2352 1 1 12 THR CG2 C -0.551 -0.866 -5.674 1.00 . A A . 12 THR CG2 1 1
12 2353 1 1 12 THR H H -0.684 -1.713 -2.896 1.00 . A A . 12 THR H 1 1
12 2354 1 1 12 THR HA H -2.334 -3.693 -4.548 1.00 . A A . 12 THR HA 1 1
12 2355 1 1 12 THR HB H -2.593 -1.462 -5.382 1.00 . A A . 12 THR HB 1 1
12 2356 1 1 12 THR HG1 H -0.854 -2.999 -6.985 1.00 . A A . 12 THR HG1 1 1
12 2357 1 1 12 THR HG21 H 0.451 -1.276 -5.894 1.00 . A A . 12 THR HG21 1 1
12 2358 1 1 12 THR HG22 H -0.795 -0.155 -6.484 1.00 . A A . 12 THR HG22 1 1
12 2359 1 1 12 THR HG23 H -0.467 -0.272 -4.745 1.00 . A A . 12 THR HG23 1 1
12 2360 1 1 12 THR N N -1.447 -2.361 -3.113 1.00 . A A . 12 THR N 1 1
12 2361 1 1 12 THR O O 0.592 -3.846 -5.536 1.00 . A A . 12 THR O 1 1
12 2362 1 1 12 THR OG1 O -1.719 -2.613 -6.823 1.00 . A A . 12 THR OG1 1 1
12 2363 1 1 13 THR C C 0.591 -7.304 -3.287 1.00 . A A . 13 THR C 1 1
12 2364 1 1 13 THR CA C 1.145 -5.907 -3.694 1.00 . A A . 13 THR CA 1 1
12 2365 1 1 13 THR CB C 2.293 -5.399 -2.766 1.00 . A A . 13 THR CB 1 1
12 2366 1 1 13 THR CG2 C 3.550 -6.286 -2.765 1.00 . A A . 13 THR CG2 1 1
12 2367 1 1 13 THR H H -0.639 -4.941 -2.859 1.00 . A A . 13 THR H 1 1
12 2368 1 1 13 THR HA H 1.559 -5.967 -4.722 1.00 . A A . 13 THR HA 1 1
12 2369 1 1 13 THR HB H 1.921 -5.327 -1.726 1.00 . A A . 13 THR HB 1 1
12 2370 1 1 13 THR HG1 H 3.000 -4.183 -4.084 1.00 . A A . 13 THR HG1 1 1
12 2371 1 1 13 THR HG21 H 3.335 -7.304 -2.391 1.00 . A A . 13 THR HG21 1 1
12 2372 1 1 13 THR HG22 H 3.984 -6.389 -3.777 1.00 . A A . 13 THR HG22 1 1
12 2373 1 1 13 THR HG23 H 4.337 -5.865 -2.111 1.00 . A A . 13 THR HG23 1 1
12 2374 1 1 13 THR N N -0.006 -4.962 -3.667 1.00 . A A . 13 THR N 1 1
12 2375 1 1 13 THR O O 0.220 -7.523 -2.129 1.00 . A A . 13 THR O 1 1
12 2376 1 1 13 THR OG1 O 2.715 -4.099 -3.171 1.00 . A A . 13 THR OG1 1 1
12 2377 1 1 14 ALA C C 1.138 -10.554 -3.415 1.00 . A A . 14 ALA C 1 1
12 2378 1 1 14 ALA CA C 0.055 -9.624 -4.012 1.00 . A A . 14 ALA CA 1 1
12 2379 1 1 14 ALA CB C -0.521 -10.177 -5.328 1.00 . A A . 14 ALA CB 1 1
12 2380 1 1 14 ALA H H 0.855 -7.927 -5.177 1.00 . A A . 14 ALA H 1 1
12 2381 1 1 14 ALA HXT H 2.168 -10.152 -5.016 1.00 . A A . 14 ALA HXT 1 1
12 2382 1 1 14 ALA HA H -0.786 -9.590 -3.291 1.00 . A A . 14 ALA HA 1 1
12 2383 1 1 14 ALA HB1 H -0.944 -11.190 -5.191 1.00 . A A . 14 ALA HB1 1 1
12 2384 1 1 14 ALA HB2 H -1.343 -9.544 -5.713 1.00 . A A . 14 ALA HB2 1 1
12 2385 1 1 14 ALA HB3 H 0.239 -10.248 -6.129 1.00 . A A . 14 ALA HB3 1 1
12 2386 1 1 14 ALA N N 0.557 -8.246 -4.249 1.00 . A A . 14 ALA N 1 1
12 2387 1 1 14 ALA O O 1.007 -11.121 -2.331 1.00 . A A . 14 ALA O 1 1
12 2388 1 1 14 ALA OXT O 2.248 -10.676 -4.216 1.00 . A A . 14 ALA OXT 1 1
13 2389 1 1 1 ACE C C -5.226 -1.282 6.693 1.00 . A A . 1 ACE C 1 1
13 2390 1 1 1 ACE CH3 C -4.916 -0.090 7.593 1.00 . A A . 1 ACE CH3 1 1
13 2391 1 1 1 ACE H1 H -5.784 0.163 8.230 1.00 . A A . 1 ACE H1 1 1
13 2392 1 1 1 ACE H2 H -4.065 -0.301 8.266 1.00 . A A . 1 ACE H2 1 1
13 2393 1 1 1 ACE H3 H -4.669 0.811 7.001 1.00 . A A . 1 ACE H3 1 1
13 2394 1 1 1 ACE O O -6.335 -1.820 6.724 1.00 . A A . 1 ACE O 1 1
13 2395 1 1 2 ILE C C -3.167 -3.844 5.240 1.00 . A A . 2 ILE C 1 1
13 2396 1 1 2 ILE CA C -4.308 -2.809 4.938 1.00 . A A . 2 ILE CA 1 1
13 2397 1 1 2 ILE CB C -4.389 -2.302 3.445 1.00 . A A . 2 ILE CB 1 1
13 2398 1 1 2 ILE CD1 C -1.925 -1.876 2.687 1.00 . A A . 2 ILE CD1 1 1
13 2399 1 1 2 ILE CG1 C -3.316 -1.286 2.941 1.00 . A A . 2 ILE CG1 1 1
13 2400 1 1 2 ILE CG2 C -5.799 -1.746 3.126 1.00 . A A . 2 ILE CG2 1 1
13 2401 1 1 2 ILE H H -3.357 -1.130 5.968 1.00 . A A . 2 ILE H 1 1
13 2402 1 1 2 ILE HA H -5.249 -3.357 5.145 1.00 . A A . 2 ILE HA 1 1
13 2403 1 1 2 ILE HB H -4.291 -3.183 2.792 1.00 . A A . 2 ILE HB 1 1
13 2404 1 1 2 ILE HD11 H -1.967 -2.723 1.977 1.00 . A A . 2 ILE HD11 1 1
13 2405 1 1 2 ILE HD12 H -1.243 -1.122 2.252 1.00 . A A . 2 ILE HD12 1 1
13 2406 1 1 2 ILE HD13 H -1.449 -2.243 3.613 1.00 . A A . 2 ILE HD13 1 1
13 2407 1 1 2 ILE HG12 H -3.643 -0.843 1.981 1.00 . A A . 2 ILE HG12 1 1
13 2408 1 1 2 ILE HG13 H -3.237 -0.426 3.633 1.00 . A A . 2 ILE HG13 1 1
13 2409 1 1 2 ILE HG21 H -6.594 -2.471 3.382 1.00 . A A . 2 ILE HG21 1 1
13 2410 1 1 2 ILE HG22 H -6.015 -0.816 3.685 1.00 . A A . 2 ILE HG22 1 1
13 2411 1 1 2 ILE HG23 H -5.920 -1.517 2.050 1.00 . A A . 2 ILE HG23 1 1
13 2412 1 1 2 ILE N N -4.223 -1.669 5.895 1.00 . A A . 2 ILE N 1 1
13 2413 1 1 2 ILE O O -2.133 -3.508 5.830 1.00 . A A . 2 ILE O 1 1
13 2414 1 1 3 TRP C C -0.842 -6.006 4.735 1.00 . A A . 3 TRP C 1 1
13 2415 1 1 3 TRP CA C -2.360 -6.225 5.034 1.00 . A A . 3 TRP CA 1 1
13 2416 1 1 3 TRP CB C -2.879 -7.556 4.402 1.00 . A A . 3 TRP CB 1 1
13 2417 1 1 3 TRP CD1 C -4.301 -7.493 2.192 1.00 . A A . 3 TRP CD1 1 1
13 2418 1 1 3 TRP CD2 C -2.131 -7.873 1.872 1.00 . A A . 3 TRP CD2 1 1
13 2419 1 1 3 TRP CE2 C -2.799 -7.821 0.621 1.00 . A A . 3 TRP CE2 1 1
13 2420 1 1 3 TRP CE3 C -0.740 -8.150 1.926 1.00 . A A . 3 TRP CE3 1 1
13 2421 1 1 3 TRP CG C -3.068 -7.631 2.870 1.00 . A A . 3 TRP CG 1 1
13 2422 1 1 3 TRP CH2 C -0.703 -8.251 -0.506 1.00 . A A . 3 TRP CH2 1 1
13 2423 1 1 3 TRP CZ2 C -2.075 -8.007 -0.581 1.00 . A A . 3 TRP CZ2 1 1
13 2424 1 1 3 TRP CZ3 C -0.046 -8.324 0.728 1.00 . A A . 3 TRP CZ3 1 1
13 2425 1 1 3 TRP H H -4.296 -5.310 4.468 1.00 . A A . 3 TRP H 1 1
13 2426 1 1 3 TRP HA H -2.367 -6.390 6.121 1.00 . A A . 3 TRP HA 1 1
13 2427 1 1 3 TRP HB2 H -2.203 -8.377 4.704 1.00 . A A . 3 TRP HB2 1 1
13 2428 1 1 3 TRP HB3 H -3.839 -7.817 4.886 1.00 . A A . 3 TRP HB3 1 1
13 2429 1 1 3 TRP HD1 H -5.259 -7.378 2.675 1.00 . A A . 3 TRP HD1 1 1
13 2430 1 1 3 TRP HE1 H -4.883 -7.560 0.080 1.00 . A A . 3 TRP HE1 1 1
13 2431 1 1 3 TRP HE3 H -0.219 -8.215 2.870 1.00 . A A . 3 TRP HE3 1 1
13 2432 1 1 3 TRP HH2 H -0.139 -8.388 -1.417 1.00 . A A . 3 TRP HH2 1 1
13 2433 1 1 3 TRP HZ2 H -2.571 -7.960 -1.540 1.00 . A A . 3 TRP HZ2 1 1
13 2434 1 1 3 TRP HZ3 H 1.016 -8.521 0.754 1.00 . A A . 3 TRP HZ3 1 1
13 2435 1 1 3 TRP N N -3.351 -5.114 4.813 1.00 . A A . 3 TRP N 1 1
13 2436 1 1 3 TRP NE1 N -4.152 -7.594 0.798 1.00 . A A . 3 TRP NE1 1 1
13 2437 1 1 3 TRP O O 0.020 -6.497 5.469 1.00 . A A . 3 TRP O 1 1
13 2438 1 1 4 GLY C C 0.802 -4.023 2.022 1.00 . A A . 4 GLY C 1 1
13 2439 1 1 4 GLY CA C 0.828 -4.994 3.215 1.00 . A A . 4 GLY CA 1 1
13 2440 1 1 4 GLY H H -1.411 -4.973 3.194 1.00 . A A . 4 GLY H 1 1
13 2441 1 1 4 GLY HA2 H 1.396 -4.539 4.055 1.00 . A A . 4 GLY HA2 1 1
13 2442 1 1 4 GLY HA3 H 1.372 -5.924 2.967 1.00 . A A . 4 GLY HA3 1 1
13 2443 1 1 4 GLY N N -0.553 -5.290 3.653 1.00 . A A . 4 GLY N 1 1
13 2444 1 1 4 GLY O O 1.145 -2.852 2.209 1.00 . A A . 4 GLY O 1 1
13 2445 1 1 5 GLU C C -0.835 -4.114 -1.276 1.00 . A A . 5 GLU C 1 1
13 2446 1 1 5 GLU CA C 0.325 -3.603 -0.379 1.00 . A A . 5 GLU CA 1 1
13 2447 1 1 5 GLU CB C 1.696 -3.533 -1.114 1.00 . A A . 5 GLU CB 1 1
13 2448 1 1 5 GLU CD C 2.187 -0.990 -0.991 1.00 . A A . 5 GLU CD 1 1
13 2449 1 1 5 GLU CG C 1.931 -2.218 -1.895 1.00 . A A . 5 GLU CG 1 1
13 2450 1 1 5 GLU H H 0.202 -5.477 0.700 1.00 . A A . 5 GLU H 1 1
13 2451 1 1 5 GLU HA H 0.061 -2.588 -0.023 1.00 . A A . 5 GLU HA 1 1
13 2452 1 1 5 GLU HB2 H 2.531 -3.668 -0.399 1.00 . A A . 5 GLU HB2 1 1
13 2453 1 1 5 GLU HB3 H 1.794 -4.400 -1.798 1.00 . A A . 5 GLU HB3 1 1
13 2454 1 1 5 GLU HG2 H 2.771 -2.379 -2.593 1.00 . A A . 5 GLU HG2 1 1
13 2455 1 1 5 GLU HG3 H 1.052 -2.020 -2.535 1.00 . A A . 5 GLU HG3 1 1
13 2456 1 1 5 GLU N N 0.408 -4.480 0.809 1.00 . A A . 5 GLU N 1 1
13 2457 1 1 5 GLU O O -0.723 -5.167 -1.913 1.00 . A A . 5 GLU O 1 1
13 2458 1 1 5 GLU OE1 O 1.261 -0.521 -0.323 1.00 . A A . 5 GLU OE1 1 1
13 2459 1 1 6 SER C C -3.652 -2.462 -2.888 1.00 . A A . 6 SER C 1 1
13 2460 1 1 6 SER CA C -3.149 -3.707 -2.108 1.00 . A A . 6 SER CA 1 1
13 2461 1 1 6 SER CB C -4.237 -4.317 -1.190 1.00 . A A . 6 SER CB 1 1
13 2462 1 1 6 SER H H -1.919 -2.519 -0.717 1.00 . A A . 6 SER H 1 1
13 2463 1 1 6 SER HA H -2.898 -4.503 -2.839 1.00 . A A . 6 SER HA 1 1
13 2464 1 1 6 SER HB2 H -5.122 -4.607 -1.787 1.00 . A A . 6 SER HB2 1 1
13 2465 1 1 6 SER HB3 H -3.863 -5.256 -0.743 1.00 . A A . 6 SER HB3 1 1
13 2466 1 1 6 SER HG H -5.325 -3.898 0.350 1.00 . A A . 6 SER HG 1 1
13 2467 1 1 6 SER N N -1.945 -3.355 -1.311 1.00 . A A . 6 SER N 1 1
13 2468 1 1 6 SER O O -4.119 -1.486 -2.290 1.00 . A A . 6 SER O 1 1
13 2469 1 1 6 SER OG O -4.643 -3.435 -0.143 1.00 . A A . 6 SER OG 1 1
13 2470 1 1 7 GLY C C -2.924 -0.320 -5.434 1.00 . A A . 7 GLY C 1 1
13 2471 1 1 7 GLY CA C -3.986 -1.387 -5.103 1.00 . A A . 7 GLY CA 1 1
13 2472 1 1 7 GLY H H -3.081 -3.340 -4.603 1.00 . A A . 7 GLY H 1 1
13 2473 1 1 7 GLY HA2 H -4.339 -1.830 -6.053 1.00 . A A . 7 GLY HA2 1 1
13 2474 1 1 7 GLY HA3 H -4.889 -0.896 -4.688 1.00 . A A . 7 GLY HA3 1 1
13 2475 1 1 7 GLY N N -3.534 -2.499 -4.229 1.00 . A A . 7 GLY N 1 1
13 2476 1 1 7 GLY O O -2.476 -0.228 -6.580 1.00 . A A . 7 GLY O 1 1
13 2477 1 1 8 LYS C C -0.087 1.112 -4.877 1.00 . A A . 8 LYS C 1 1
13 2478 1 1 8 LYS CA C -1.546 1.580 -4.588 1.00 . A A . 8 LYS CA 1 1
13 2479 1 1 8 LYS CB C -1.615 2.535 -3.361 1.00 . A A . 8 LYS CB 1 1
13 2480 1 1 8 LYS CD C -1.391 2.993 -0.842 1.00 . A A . 8 LYS CD 1 1
13 2481 1 1 8 LYS CE C -1.055 2.416 0.544 1.00 . A A . 8 LYS CE 1 1
13 2482 1 1 8 LYS CG C -1.204 1.968 -1.976 1.00 . A A . 8 LYS CG 1 1
13 2483 1 1 8 LYS H H -2.982 0.276 -3.525 1.00 . A A . 8 LYS H 1 1
13 2484 1 1 8 LYS HA H -1.897 2.190 -5.447 1.00 . A A . 8 LYS HA 1 1
13 2485 1 1 8 LYS HB2 H -0.990 3.424 -3.575 1.00 . A A . 8 LYS HB2 1 1
13 2486 1 1 8 LYS HB3 H -2.644 2.940 -3.291 1.00 . A A . 8 LYS HB3 1 1
13 2487 1 1 8 LYS HD2 H -0.759 3.880 -1.045 1.00 . A A . 8 LYS HD2 1 1
13 2488 1 1 8 LYS HD3 H -2.437 3.357 -0.852 1.00 . A A . 8 LYS HD3 1 1
13 2489 1 1 8 LYS HE2 H -1.664 1.513 0.749 1.00 . A A . 8 LYS HE2 1 1
13 2490 1 1 8 LYS HE3 H 0.001 2.086 0.585 1.00 . A A . 8 LYS HE3 1 1
13 2491 1 1 8 LYS HG2 H -1.796 1.059 -1.757 1.00 . A A . 8 LYS HG2 1 1
13 2492 1 1 8 LYS HG3 H -0.148 1.636 -2.003 1.00 . A A . 8 LYS HG3 1 1
13 2493 1 1 8 LYS HZ1 H -1.084 3.066 2.533 1.00 . A A . 8 LYS HZ1 1 1
13 2494 1 1 8 LYS HZ2 H -0.735 4.270 1.453 1.00 . A A . 8 LYS HZ2 1 1
13 2495 1 1 8 LYS HZ3 H -2.282 3.725 1.612 1.00 . A A . 8 LYS HZ3 1 1
13 2496 1 1 8 LYS N N -2.542 0.487 -4.429 1.00 . A A . 8 LYS N 1 1
13 2497 1 1 8 LYS NZ N -1.301 3.425 1.594 1.00 . A A . 8 LYS NZ 1 1
13 2498 1 1 8 LYS O O 0.449 0.235 -4.190 1.00 . A A . 8 LYS O 1 1
13 2499 1 1 9 LEU C C 3.052 1.990 -5.313 1.00 . A A . 9 LEU C 1 1
13 2500 1 1 9 LEU CA C 1.956 1.428 -6.286 1.00 . A A . 9 LEU CA 1 1
13 2501 1 1 9 LEU CB C 2.150 1.862 -7.777 1.00 . A A . 9 LEU CB 1 1
13 2502 1 1 9 LEU CD1 C 3.285 0.194 -9.410 1.00 . A A . 9 LEU CD1 1 1
13 2503 1 1 9 LEU CD2 C 4.052 2.586 -9.340 1.00 . A A . 9 LEU CD2 1 1
13 2504 1 1 9 LEU CG C 3.466 1.431 -8.503 1.00 . A A . 9 LEU CG 1 1
13 2505 1 1 9 LEU H H -0.023 2.418 -6.402 1.00 . A A . 9 LEU H 1 1
13 2506 1 1 9 LEU HA H 2.063 0.336 -6.209 1.00 . A A . 9 LEU HA 1 1
13 2507 1 1 9 LEU HB2 H 1.291 1.513 -8.387 1.00 . A A . 9 LEU HB2 1 1
13 2508 1 1 9 LEU HB3 H 2.048 2.964 -7.817 1.00 . A A . 9 LEU HB3 1 1
13 2509 1 1 9 LEU HD11 H 4.240 -0.116 -9.880 1.00 . A A . 9 LEU HD11 1 1
13 2510 1 1 9 LEU HD12 H 2.910 -0.682 -8.851 1.00 . A A . 9 LEU HD12 1 1
13 2511 1 1 9 LEU HD13 H 2.576 0.382 -10.240 1.00 . A A . 9 LEU HD13 1 1
13 2512 1 1 9 LEU HD21 H 3.361 2.912 -10.140 1.00 . A A . 9 LEU HD21 1 1
13 2513 1 1 9 LEU HD22 H 4.269 3.471 -8.713 1.00 . A A . 9 LEU HD22 1 1
13 2514 1 1 9 LEU HD23 H 5.005 2.301 -9.824 1.00 . A A . 9 LEU HD23 1 1
13 2515 1 1 9 LEU HG H 4.235 1.174 -7.751 1.00 . A A . 9 LEU HG 1 1
13 2516 1 1 9 LEU N N 0.545 1.732 -5.893 1.00 . A A . 9 LEU N 1 1
13 2517 1 1 9 LEU O O 4.121 1.384 -5.199 1.00 . A A . 9 LEU O 1 1
13 2518 1 1 10 ILE C C 3.107 3.379 -2.252 1.00 . A A . 10 ILE C 1 1
13 2519 1 1 10 ILE CA C 3.718 3.738 -3.648 1.00 . A A . 10 ILE CA 1 1
13 2520 1 1 10 ILE CB C 4.004 5.258 -3.910 1.00 . A A . 10 ILE CB 1 1
13 2521 1 1 10 ILE CD1 C 6.443 5.128 -2.950 1.00 . A A . 10 ILE CD1 1 1
13 2522 1 1 10 ILE CG1 C 5.086 5.856 -2.962 1.00 . A A . 10 ILE CG1 1 1
13 2523 1 1 10 ILE CG2 C 2.762 6.186 -3.915 1.00 . A A . 10 ILE CG2 1 1
13 2524 1 1 10 ILE H H 1.783 3.243 -4.522 1.00 . A A . 10 ILE H 1 1
13 2525 1 1 10 ILE HA H 4.711 3.272 -3.795 1.00 . A A . 10 ILE HA 1 1
13 2526 1 1 10 ILE HB H 4.424 5.320 -4.933 1.00 . A A . 10 ILE HB 1 1
13 2527 1 1 10 ILE HD11 H 6.364 4.117 -2.506 1.00 . A A . 10 ILE HD11 1 1
13 2528 1 1 10 ILE HD12 H 6.854 5.007 -3.969 1.00 . A A . 10 ILE HD12 1 1
13 2529 1 1 10 ILE HD13 H 7.190 5.677 -2.351 1.00 . A A . 10 ILE HD13 1 1
13 2530 1 1 10 ILE HG12 H 5.273 6.911 -3.241 1.00 . A A . 10 ILE HG12 1 1
13 2531 1 1 10 ILE HG13 H 4.700 5.898 -1.925 1.00 . A A . 10 ILE HG13 1 1
13 2532 1 1 10 ILE HG21 H 3.022 7.214 -4.232 1.00 . A A . 10 ILE HG21 1 1
13 2533 1 1 10 ILE HG22 H 1.985 5.829 -4.615 1.00 . A A . 10 ILE HG22 1 1
13 2534 1 1 10 ILE HG23 H 2.293 6.265 -2.917 1.00 . A A . 10 ILE HG23 1 1
13 2535 1 1 10 ILE N N 2.791 3.122 -4.631 1.00 . A A . 10 ILE N 1 1
13 2536 1 1 10 ILE O O 2.066 3.918 -1.857 1.00 . A A . 10 ILE O 1 1
13 2537 1 1 11 . C C 3.833 0.547 0.045 1.00 . A A . 11 SET C 1 1
13 2538 1 1 11 . CA C 3.280 1.986 -0.189 1.00 . A A . 11 SET CA 1 1
13 2539 1 1 11 . CB C 3.634 2.946 0.992 1.00 . A A . 11 SET CB 1 1
13 2540 1 1 11 . H H 4.472 1.926 -1.995 1.00 . A A . 11 SET H 1 1
13 2541 1 1 11 . HA H 2.180 1.842 -0.230 1.00 . A A . 11 SET HA 1 1
13 2542 1 1 11 . HB2 H 4.940 0.574 0.082 1.00 . A A . 11 SET HB2 1 1
13 2543 1 1 11 . HB3 H 3.537 0.199 1.055 1.00 . A A . 11 SET HB3 1 1
13 2544 1 1 11 . HNT2 H 4.142 -0.928 -1.542 1.00 . A A . 11 SET HNT2 1 1
13 2545 1 1 11 . N N 3.758 2.467 -1.510 1.00 . A A . 11 SET N 1 1
13 2546 1 1 11 . NT N 3.434 -0.486 -0.945 1.00 . A A . 11 SET NT 1 1
13 2547 1 1 11 . OG O 4.545 2.671 1.781 1.00 . A A . 11 SET OG 1 1
13 2548 1 1 12 THR C C 2.681 4.483 3.623 1.00 . A A . 12 THR C 1 1
13 2549 1 1 12 THR CA C 3.110 5.055 2.231 1.00 . A A . 12 THR CA 1 1
13 2550 1 1 12 THR CB C 2.464 6.440 1.904 1.00 . A A . 12 THR CB 1 1
13 2551 1 1 12 THR CG2 C 3.095 7.174 0.708 1.00 . A A . 12 THR CG2 1 1
13 2552 1 1 12 THR H H 2.413 4.369 0.272 1.00 . A A . 12 THR H 1 1
13 2553 1 1 12 THR HA H 4.201 5.243 2.303 1.00 . A A . 12 THR HA 1 1
13 2554 1 1 12 THR HB H 2.597 7.095 2.787 1.00 . A A . 12 THR HB 1 1
13 2555 1 1 12 THR HG1 H 0.758 7.202 1.446 1.00 . A A . 12 THR HG1 1 1
13 2556 1 1 12 THR HG21 H 2.646 8.174 0.565 1.00 . A A . 12 THR HG21 1 1
13 2557 1 1 12 THR HG22 H 4.182 7.324 0.847 1.00 . A A . 12 THR HG22 1 1
13 2558 1 1 12 THR HG23 H 2.957 6.618 -0.238 1.00 . A A . 12 THR HG23 1 1
13 2559 1 1 12 THR N N 2.895 4.068 1.128 1.00 . A A . 12 THR N 1 1
13 2560 1 1 12 THR O O 3.529 4.354 4.510 1.00 . A A . 12 THR O 1 1
13 2561 1 1 12 THR OG1 O 1.064 6.317 1.658 1.00 . A A . 12 THR OG1 1 1
13 2562 1 1 13 THR C C 0.433 2.081 4.751 1.00 . A A . 13 THR C 1 1
13 2563 1 1 13 THR CA C 0.850 3.551 5.057 1.00 . A A . 13 THR CA 1 1
13 2564 1 1 13 THR CB C -0.323 4.402 5.636 1.00 . A A . 13 THR CB 1 1
13 2565 1 1 13 THR CG2 C 0.104 5.774 6.185 1.00 . A A . 13 THR CG2 1 1
13 2566 1 1 13 THR H H 0.779 4.377 3.015 1.00 . A A . 13 THR H 1 1
13 2567 1 1 13 THR HA H 1.632 3.536 5.844 1.00 . A A . 13 THR HA 1 1
13 2568 1 1 13 THR HB H -0.762 3.841 6.481 1.00 . A A . 13 THR HB 1 1
13 2569 1 1 13 THR HG1 H -2.012 5.158 5.108 1.00 . A A . 13 THR HG1 1 1
13 2570 1 1 13 THR HG21 H 0.521 6.423 5.393 1.00 . A A . 13 THR HG21 1 1
13 2571 1 1 13 THR HG22 H -0.750 6.313 6.635 1.00 . A A . 13 THR HG22 1 1
13 2572 1 1 13 THR HG23 H 0.876 5.676 6.971 1.00 . A A . 13 THR HG23 1 1
13 2573 1 1 13 THR N N 1.391 4.129 3.797 1.00 . A A . 13 THR N 1 1
13 2574 1 1 13 THR O O -0.609 1.832 4.132 1.00 . A A . 13 THR O 1 1
13 2575 1 1 13 THR OG1 O -1.354 4.612 4.672 1.00 . A A . 13 THR OG1 1 1
13 2576 1 1 14 ALA C C 0.044 -0.915 6.046 1.00 . A A . 14 ALA C 1 1
13 2577 1 1 14 ALA CA C 0.987 -0.338 4.962 1.00 . A A . 14 ALA CA 1 1
13 2578 1 1 14 ALA CB C 2.340 -1.068 4.872 1.00 . A A . 14 ALA CB 1 1
13 2579 1 1 14 ALA H H 2.099 1.432 5.669 1.00 . A A . 14 ALA H 1 1
13 2580 1 1 14 ALA HXT H -1.336 0.064 5.095 1.00 . A A . 14 ALA HXT 1 1
13 2581 1 1 14 ALA HA H 0.496 -0.480 3.979 1.00 . A A . 14 ALA HA 1 1
13 2582 1 1 14 ALA HB1 H 2.965 -0.678 4.046 1.00 . A A . 14 ALA HB1 1 1
13 2583 1 1 14 ALA HB2 H 2.930 -0.980 5.805 1.00 . A A . 14 ALA HB2 1 1
13 2584 1 1 14 ALA HB3 H 2.202 -2.148 4.679 1.00 . A A . 14 ALA HB3 1 1
13 2585 1 1 14 ALA N N 1.254 1.106 5.189 1.00 . A A . 14 ALA N 1 1
13 2586 1 1 14 ALA O O 0.408 -1.636 6.977 1.00 . A A . 14 ALA O 1 1
13 2587 1 1 14 ALA OXT O -1.257 -0.523 5.851 1.00 . A A . 14 ALA OXT 1 1
14 2588 1 1 1 ACE C C -3.249 -0.689 6.934 1.00 . A A . 1 ACE C 1 1
14 2589 1 1 1 ACE CH3 C -2.490 0.461 7.588 1.00 . A A . 1 ACE CH3 1 1
14 2590 1 1 1 ACE H1 H -2.504 1.368 6.955 1.00 . A A . 1 ACE H1 1 1
14 2591 1 1 1 ACE H2 H -2.937 0.732 8.562 1.00 . A A . 1 ACE H2 1 1
14 2592 1 1 1 ACE H3 H -1.433 0.194 7.775 1.00 . A A . 1 ACE H3 1 1
14 2593 1 1 1 ACE O O -4.239 -1.181 7.479 1.00 . A A . 1 ACE O 1 1
14 2594 1 1 2 ILE C C -2.477 -3.498 5.095 1.00 . A A . 2 ILE C 1 1
14 2595 1 1 2 ILE CA C -3.344 -2.198 4.944 1.00 . A A . 2 ILE CA 1 1
14 2596 1 1 2 ILE CB C -3.538 -1.754 3.441 1.00 . A A . 2 ILE CB 1 1
14 2597 1 1 2 ILE CD1 C -2.319 -1.432 1.159 1.00 . A A . 2 ILE CD1 1 1
14 2598 1 1 2 ILE CG1 C -2.234 -1.342 2.690 1.00 . A A . 2 ILE CG1 1 1
14 2599 1 1 2 ILE CG2 C -4.646 -0.680 3.291 1.00 . A A . 2 ILE CG2 1 1
14 2600 1 1 2 ILE H H -1.892 -0.640 5.464 1.00 . A A . 2 ILE H 1 1
14 2601 1 1 2 ILE HA H -4.351 -2.433 5.345 1.00 . A A . 2 ILE HA 1 1
14 2602 1 1 2 ILE HB H -3.932 -2.629 2.896 1.00 . A A . 2 ILE HB 1 1
14 2603 1 1 2 ILE HD11 H -3.101 -0.773 0.740 1.00 . A A . 2 ILE HD11 1 1
14 2604 1 1 2 ILE HD12 H -1.362 -1.137 0.694 1.00 . A A . 2 ILE HD12 1 1
14 2605 1 1 2 ILE HD13 H -2.540 -2.463 0.827 1.00 . A A . 2 ILE HD13 1 1
14 2606 1 1 2 ILE HG12 H -1.927 -0.322 2.987 1.00 . A A . 2 ILE HG12 1 1
14 2607 1 1 2 ILE HG13 H -1.396 -1.992 3.006 1.00 . A A . 2 ILE HG13 1 1
14 2608 1 1 2 ILE HG21 H -5.590 -0.998 3.771 1.00 . A A . 2 ILE HG21 1 1
14 2609 1 1 2 ILE HG22 H -4.357 0.284 3.749 1.00 . A A . 2 ILE HG22 1 1
14 2610 1 1 2 ILE HG23 H -4.889 -0.477 2.231 1.00 . A A . 2 ILE HG23 1 1
14 2611 1 1 2 ILE N N -2.763 -1.089 5.754 1.00 . A A . 2 ILE N 1 1
14 2612 1 1 2 ILE O O -1.297 -3.441 5.459 1.00 . A A . 2 ILE O 1 1
14 2613 1 1 3 TRP C C -0.911 -6.139 4.247 1.00 . A A . 3 TRP C 1 1
14 2614 1 1 3 TRP CA C -2.354 -6.003 4.843 1.00 . A A . 3 TRP CA 1 1
14 2615 1 1 3 TRP CB C -3.294 -7.143 4.332 1.00 . A A . 3 TRP CB 1 1
14 2616 1 1 3 TRP CD1 C -4.831 -6.635 2.251 1.00 . A A . 3 TRP CD1 1 1
14 2617 1 1 3 TRP CD2 C -2.945 -7.712 1.764 1.00 . A A . 3 TRP CD2 1 1
14 2618 1 1 3 TRP CE2 C -3.659 -7.436 0.570 1.00 . A A . 3 TRP CE2 1 1
14 2619 1 1 3 TRP CE3 C -1.708 -8.407 1.711 1.00 . A A . 3 TRP CE3 1 1
14 2620 1 1 3 TRP CG C -3.662 -7.177 2.829 1.00 . A A . 3 TRP CG 1 1
14 2621 1 1 3 TRP CH2 C -1.901 -8.490 -0.715 1.00 . A A . 3 TRP CH2 1 1
14 2622 1 1 3 TRP CZ2 C -3.129 -7.827 -0.683 1.00 . A A . 3 TRP CZ2 1 1
14 2623 1 1 3 TRP CZ3 C -1.203 -8.778 0.464 1.00 . A A . 3 TRP CZ3 1 1
14 2624 1 1 3 TRP H H -4.078 -4.612 4.680 1.00 . A A . 3 TRP H 1 1
14 2625 1 1 3 TRP HA H -2.199 -6.191 5.915 1.00 . A A . 3 TRP HA 1 1
14 2626 1 1 3 TRP HB2 H -2.836 -8.115 4.594 1.00 . A A . 3 TRP HB2 1 1
14 2627 1 1 3 TRP HB3 H -4.228 -7.126 4.925 1.00 . A A . 3 TRP HB3 1 1
14 2628 1 1 3 TRP HD1 H -5.645 -6.195 2.805 1.00 . A A . 3 TRP HD1 1 1
14 2629 1 1 3 TRP HE1 H -5.557 -6.455 0.190 1.00 . A A . 3 TRP HE1 1 1
14 2630 1 1 3 TRP HE3 H -1.154 -8.631 2.612 1.00 . A A . 3 TRP HE3 1 1
14 2631 1 1 3 TRP HH2 H -1.484 -8.787 -1.666 1.00 . A A . 3 TRP HH2 1 1
14 2632 1 1 3 TRP HZ2 H -3.659 -7.618 -1.600 1.00 . A A . 3 TRP HZ2 1 1
14 2633 1 1 3 TRP HZ3 H -0.256 -9.295 0.408 1.00 . A A . 3 TRP HZ3 1 1
14 2634 1 1 3 TRP N N -3.058 -4.674 4.770 1.00 . A A . 3 TRP N 1 1
14 2635 1 1 3 TRP NE1 N -4.840 -6.772 0.851 1.00 . A A . 3 TRP NE1 1 1
14 2636 1 1 3 TRP O O -0.054 -6.825 4.810 1.00 . A A . 3 TRP O 1 1
14 2637 1 1 4 GLY C C 0.513 -4.450 1.256 1.00 . A A . 4 GLY C 1 1
14 2638 1 1 4 GLY CA C 0.596 -5.487 2.390 1.00 . A A . 4 GLY CA 1 1
14 2639 1 1 4 GLY H H -1.528 -4.965 2.827 1.00 . A A . 4 GLY H 1 1
14 2640 1 1 4 GLY HA2 H 1.414 -5.212 3.092 1.00 . A A . 4 GLY HA2 1 1
14 2641 1 1 4 GLY HA3 H 0.849 -6.499 2.023 1.00 . A A . 4 GLY HA3 1 1
14 2642 1 1 4 GLY N N -0.693 -5.487 3.106 1.00 . A A . 4 GLY N 1 1
14 2643 1 1 4 GLY O O 0.937 -3.311 1.477 1.00 . A A . 4 GLY O 1 1
14 2644 1 1 5 GLU C C -1.370 -4.229 -1.938 1.00 . A A . 5 GLU C 1 1
14 2645 1 1 5 GLU CA C -0.151 -3.840 -1.057 1.00 . A A . 5 GLU CA 1 1
14 2646 1 1 5 GLU CB C 1.181 -3.735 -1.858 1.00 . A A . 5 GLU CB 1 1
14 2647 1 1 5 GLU CD C 1.808 -1.260 -1.309 1.00 . A A . 5 GLU CD 1 1
14 2648 1 1 5 GLU CG C 1.488 -2.317 -2.395 1.00 . A A . 5 GLU CG 1 1
14 2649 1 1 5 GLU H H -0.293 -5.774 -0.108 1.00 . A A . 5 GLU H 1 1
14 2650 1 1 5 GLU HA H -0.367 -2.856 -0.602 1.00 . A A . 5 GLU HA 1 1
14 2651 1 1 5 GLU HB2 H 2.041 -4.066 -1.244 1.00 . A A . 5 GLU HB2 1 1
14 2652 1 1 5 GLU HB3 H 1.167 -4.461 -2.696 1.00 . A A . 5 GLU HB3 1 1
14 2653 1 1 5 GLU HG2 H 2.318 -2.399 -3.119 1.00 . A A . 5 GLU HG2 1 1
14 2654 1 1 5 GLU HG3 H 0.617 -1.972 -2.982 1.00 . A A . 5 GLU HG3 1 1
14 2655 1 1 5 GLU N N -0.025 -4.802 0.061 1.00 . A A . 5 GLU N 1 1
14 2656 1 1 5 GLU O O -1.408 -5.314 -2.529 1.00 . A A . 5 GLU O 1 1
14 2657 1 1 5 GLU OE1 O 0.891 -0.798 -0.624 1.00 . A A . 5 GLU OE1 1 1
14 2658 1 1 6 SER C C -4.102 -2.143 -3.300 1.00 . A A . 6 SER C 1 1
14 2659 1 1 6 SER CA C -3.600 -3.526 -2.804 1.00 . A A . 6 SER CA 1 1
14 2660 1 1 6 SER CB C -4.679 -4.280 -1.986 1.00 . A A . 6 SER CB 1 1
14 2661 1 1 6 SER H H -2.205 -2.470 -1.464 1.00 . A A . 6 SER H 1 1
14 2662 1 1 6 SER HA H -3.370 -4.163 -3.684 1.00 . A A . 6 SER HA 1 1
14 2663 1 1 6 SER HB2 H -5.586 -4.435 -2.599 1.00 . A A . 6 SER HB2 1 1
14 2664 1 1 6 SER HB3 H -4.320 -5.294 -1.733 1.00 . A A . 6 SER HB3 1 1
14 2665 1 1 6 SER HG H -5.261 -2.703 -1.041 1.00 . A A . 6 SER HG 1 1
14 2666 1 1 6 SER N N -2.360 -3.323 -2.013 1.00 . A A . 6 SER N 1 1
14 2667 1 1 6 SER O O -4.546 -1.312 -2.497 1.00 . A A . 6 SER O 1 1
14 2668 1 1 6 SER OG O -5.034 -3.600 -0.783 1.00 . A A . 6 SER OG 1 1
14 2669 1 1 7 GLY C C -3.347 0.422 -5.426 1.00 . A A . 7 GLY C 1 1
14 2670 1 1 7 GLY CA C -4.464 -0.620 -5.226 1.00 . A A . 7 GLY CA 1 1
14 2671 1 1 7 GLY H H -3.593 -2.650 -5.176 1.00 . A A . 7 GLY H 1 1
14 2672 1 1 7 GLY HA2 H -4.908 -0.850 -6.213 1.00 . A A . 7 GLY HA2 1 1
14 2673 1 1 7 GLY HA3 H -5.301 -0.169 -4.655 1.00 . A A . 7 GLY HA3 1 1
14 2674 1 1 7 GLY N N -4.017 -1.899 -4.620 1.00 . A A . 7 GLY N 1 1
14 2675 1 1 7 GLY O O -2.946 0.686 -6.562 1.00 . A A . 7 GLY O 1 1
14 2676 1 1 8 LYS C C -0.382 1.505 -4.739 1.00 . A A . 8 LYS C 1 1
14 2677 1 1 8 LYS CA C -1.792 2.048 -4.351 1.00 . A A . 8 LYS CA 1 1
14 2678 1 1 8 LYS CB C -1.761 2.837 -3.009 1.00 . A A . 8 LYS CB 1 1
14 2679 1 1 8 LYS CD C -1.383 2.967 -0.469 1.00 . A A . 8 LYS CD 1 1
14 2680 1 1 8 LYS CE C -1.123 2.184 0.830 1.00 . A A . 8 LYS CE 1 1
14 2681 1 1 8 LYS CG C -1.396 2.061 -1.716 1.00 . A A . 8 LYS CG 1 1
14 2682 1 1 8 LYS H H -3.272 0.680 -3.441 1.00 . A A . 8 LYS H 1 1
14 2683 1 1 8 LYS HA H -2.104 2.794 -5.112 1.00 . A A . 8 LYS HA 1 1
14 2684 1 1 8 LYS HB2 H -1.056 3.683 -3.122 1.00 . A A . 8 LYS HB2 1 1
14 2685 1 1 8 LYS HB3 H -2.746 3.322 -2.866 1.00 . A A . 8 LYS HB3 1 1
14 2686 1 1 8 LYS HD2 H -0.613 3.752 -0.599 1.00 . A A . 8 LYS HD2 1 1
14 2687 1 1 8 LYS HD3 H -2.350 3.502 -0.393 1.00 . A A . 8 LYS HD3 1 1
14 2688 1 1 8 LYS HE2 H -1.909 1.420 0.979 1.00 . A A . 8 LYS HE2 1 1
14 2689 1 1 8 LYS HE3 H -0.167 1.630 0.771 1.00 . A A . 8 LYS HE3 1 1
14 2690 1 1 8 LYS HG2 H -2.112 1.230 -1.569 1.00 . A A . 8 LYS HG2 1 1
14 2691 1 1 8 LYS HG3 H -0.404 1.584 -1.828 1.00 . A A . 8 LYS HG3 1 1
14 2692 1 1 8 LYS HZ1 H -0.380 3.816 1.897 1.00 . A A . 8 LYS HZ1 1 1
14 2693 1 1 8 LYS HZ2 H -1.995 3.578 2.117 1.00 . A A . 8 LYS HZ2 1 1
14 2694 1 1 8 LYS HZ3 H -0.912 2.591 2.873 1.00 . A A . 8 LYS HZ3 1 1
14 2695 1 1 8 LYS N N -2.861 1.014 -4.319 1.00 . A A . 8 LYS N 1 1
14 2696 1 1 8 LYS NZ N -1.100 3.091 1.994 1.00 . A A . 8 LYS NZ 1 1
14 2697 1 1 8 LYS O O 0.094 0.512 -4.178 1.00 . A A . 8 LYS O 1 1
14 2698 1 1 9 LEU C C 2.812 2.149 -5.161 1.00 . A A . 9 LEU C 1 1
14 2699 1 1 9 LEU CA C 1.650 1.819 -6.164 1.00 . A A . 9 LEU CA 1 1
14 2700 1 1 9 LEU CB C 1.854 2.429 -7.590 1.00 . A A . 9 LEU CB 1 1
14 2701 1 1 9 LEU CD1 C 2.798 0.898 -9.463 1.00 . A A . 9 LEU CD1 1 1
14 2702 1 1 9 LEU CD2 C 3.782 3.183 -9.106 1.00 . A A . 9 LEU CD2 1 1
14 2703 1 1 9 LEU CG C 3.111 1.983 -8.408 1.00 . A A . 9 LEU CG 1 1
14 2704 1 1 9 LEU H H -0.239 2.975 -6.101 1.00 . A A . 9 LEU H 1 1
14 2705 1 1 9 LEU HA H 1.659 0.722 -6.233 1.00 . A A . 9 LEU HA 1 1
14 2706 1 1 9 LEU HB2 H 0.955 2.241 -8.214 1.00 . A A . 9 LEU HB2 1 1
14 2707 1 1 9 LEU HB3 H 1.853 3.531 -7.483 1.00 . A A . 9 LEU HB3 1 1
14 2708 1 1 9 LEU HD11 H 2.093 1.257 -10.238 1.00 . A A . 9 LEU HD11 1 1
14 2709 1 1 9 LEU HD12 H 3.711 0.571 -10.000 1.00 . A A . 9 LEU HD12 1 1
14 2710 1 1 9 LEU HD13 H 2.356 -0.007 -9.011 1.00 . A A . 9 LEU HD13 1 1
14 2711 1 1 9 LEU HD21 H 4.092 3.954 -8.376 1.00 . A A . 9 LEU HD21 1 1
14 2712 1 1 9 LEU HD22 H 4.696 2.883 -9.653 1.00 . A A . 9 LEU HD22 1 1
14 2713 1 1 9 LEU HD23 H 3.108 3.673 -9.834 1.00 . A A . 9 LEU HD23 1 1
14 2714 1 1 9 LEU HG H 3.867 1.562 -7.721 1.00 . A A . 9 LEU HG 1 1
14 2715 1 1 9 LEU N N 0.279 2.189 -5.694 1.00 . A A . 9 LEU N 1 1
14 2716 1 1 9 LEU O O 3.827 1.447 -5.165 1.00 . A A . 9 LEU O 1 1
14 2717 1 1 10 ILE C C 3.038 3.127 -1.939 1.00 . A A . 10 ILE C 1 1
14 2718 1 1 10 ILE CA C 3.659 3.594 -3.298 1.00 . A A . 10 ILE CA 1 1
14 2719 1 1 10 ILE CB C 4.081 5.103 -3.390 1.00 . A A . 10 ILE CB 1 1
14 2720 1 1 10 ILE CD1 C 6.529 4.658 -2.562 1.00 . A A . 10 ILE CD1 1 1
14 2721 1 1 10 ILE CG1 C 5.238 5.483 -2.418 1.00 . A A . 10 ILE CG1 1 1
14 2722 1 1 10 ILE CG2 C 2.933 6.134 -3.242 1.00 . A A . 10 ILE CG2 1 1
14 2723 1 1 10 ILE H H 1.673 3.389 -4.172 1.00 . A A . 10 ILE H 1 1
14 2724 1 1 10 ILE HA H 4.601 3.058 -3.523 1.00 . A A . 10 ILE HA 1 1
14 2725 1 1 10 ILE HB H 4.480 5.249 -4.413 1.00 . A A . 10 ILE HB 1 1
14 2726 1 1 10 ILE HD11 H 7.337 5.063 -1.927 1.00 . A A . 10 ILE HD11 1 1
14 2727 1 1 10 ILE HD12 H 6.382 3.606 -2.252 1.00 . A A . 10 ILE HD12 1 1
14 2728 1 1 10 ILE HD13 H 6.897 4.646 -3.604 1.00 . A A . 10 ILE HD13 1 1
14 2729 1 1 10 ILE HG12 H 5.503 6.547 -2.564 1.00 . A A . 10 ILE HG12 1 1
14 2730 1 1 10 ILE HG13 H 4.890 5.414 -1.370 1.00 . A A . 10 ILE HG13 1 1
14 2731 1 1 10 ILE HG21 H 3.280 7.163 -3.448 1.00 . A A . 10 ILE HG21 1 1
14 2732 1 1 10 ILE HG22 H 2.107 5.934 -3.950 1.00 . A A . 10 ILE HG22 1 1
14 2733 1 1 10 ILE HG23 H 2.498 6.137 -2.226 1.00 . A A . 10 ILE HG23 1 1
14 2734 1 1 10 ILE N N 2.663 3.194 -4.323 1.00 . A A . 10 ILE N 1 1
14 2735 1 1 10 ILE O O 2.061 3.712 -1.456 1.00 . A A . 10 ILE O 1 1
14 2736 1 1 11 . C C 3.520 -0.019 -0.006 1.00 . A A . 11 SET C 1 1
14 2737 1 1 11 . CA C 3.100 1.484 -0.058 1.00 . A A . 11 SET CA 1 1
14 2738 1 1 11 . CB C 3.568 2.273 1.211 1.00 . A A . 11 SET CB 1 1
14 2739 1 1 11 . H H 4.250 1.523 -1.896 1.00 . A A . 11 SET H 1 1
14 2740 1 1 11 . HA H 1.992 1.450 -0.085 1.00 . A A . 11 SET HA 1 1
14 2741 1 1 11 . HB2 H 4.623 -0.091 0.067 1.00 . A A . 11 SET HB2 1 1
14 2742 1 1 11 . HB3 H 3.157 -0.467 0.941 1.00 . A A . 11 SET HB3 1 1
14 2743 1 1 11 . HNT2 H 3.790 -1.304 -1.758 1.00 . A A . 11 SET HNT2 1 1
14 2744 1 1 11 . N N 3.605 2.071 -1.328 1.00 . A A . 11 SET N 1 1
14 2745 1 1 11 . NT N 3.089 -0.885 -1.136 1.00 . A A . 11 SET NT 1 1
14 2746 1 1 11 . OG O 4.443 1.814 1.954 1.00 . A A . 11 SET OG 1 1
14 2747 1 1 12 THR C C 2.846 3.678 4.009 1.00 . A A . 12 THR C 1 1
14 2748 1 1 12 THR CA C 3.316 4.304 2.654 1.00 . A A . 12 THR CA 1 1
14 2749 1 1 12 THR CB C 2.851 5.783 2.458 1.00 . A A . 12 THR CB 1 1
14 2750 1 1 12 THR CG2 C 3.557 6.534 1.314 1.00 . A A . 12 THR CG2 1 1
14 2751 1 1 12 THR H H 2.503 3.887 0.666 1.00 . A A . 12 THR H 1 1
14 2752 1 1 12 THR HA H 4.422 4.348 2.714 1.00 . A A . 12 THR HA 1 1
14 2753 1 1 12 THR HB H 3.076 6.339 3.388 1.00 . A A . 12 THR HB 1 1
14 2754 1 1 12 THR HG1 H 1.253 6.794 2.096 1.00 . A A . 12 THR HG1 1 1
14 2755 1 1 12 THR HG21 H 3.247 7.594 1.275 1.00 . A A . 12 THR HG21 1 1
14 2756 1 1 12 THR HG22 H 4.656 6.522 1.434 1.00 . A A . 12 THR HG22 1 1
14 2757 1 1 12 THR HG23 H 3.327 6.090 0.328 1.00 . A A . 12 THR HG23 1 1
14 2758 1 1 12 THR N N 2.968 3.455 1.474 1.00 . A A . 12 THR N 1 1
14 2759 1 1 12 THR O O 3.694 3.290 4.817 1.00 . A A . 12 THR O 1 1
14 2760 1 1 12 THR OG1 O 1.445 5.862 2.230 1.00 . A A . 12 THR OG1 1 1
14 2761 1 1 13 THR C C 0.500 1.521 5.173 1.00 . A A . 13 THR C 1 1
14 2762 1 1 13 THR CA C 0.953 2.978 5.487 1.00 . A A . 13 THR CA 1 1
14 2763 1 1 13 THR CB C -0.200 3.845 6.083 1.00 . A A . 13 THR CB 1 1
14 2764 1 1 13 THR CG2 C 0.258 5.179 6.701 1.00 . A A . 13 THR CG2 1 1
14 2765 1 1 13 THR H H 0.932 3.954 3.501 1.00 . A A . 13 THR H 1 1
14 2766 1 1 13 THR HA H 1.730 2.941 6.279 1.00 . A A . 13 THR HA 1 1
14 2767 1 1 13 THR HB H -0.672 3.267 6.899 1.00 . A A . 13 THR HB 1 1
14 2768 1 1 13 THR HG1 H -1.864 4.662 5.564 1.00 . A A . 13 THR HG1 1 1
14 2769 1 1 13 THR HG21 H 0.716 5.849 5.950 1.00 . A A . 13 THR HG21 1 1
14 2770 1 1 13 THR HG22 H -0.589 5.726 7.155 1.00 . A A . 13 THR HG22 1 1
14 2771 1 1 13 THR HG23 H 1.004 5.023 7.502 1.00 . A A . 13 THR HG23 1 1
14 2772 1 1 13 THR N N 1.523 3.568 4.243 1.00 . A A . 13 THR N 1 1
14 2773 1 1 13 THR O O -0.556 1.301 4.569 1.00 . A A . 13 THR O 1 1
14 2774 1 1 13 THR OG1 O -1.209 4.124 5.113 1.00 . A A . 13 THR OG1 1 1
14 2775 1 1 14 ALA C C 1.359 -1.674 6.655 1.00 . A A . 14 ALA C 1 1
14 2776 1 1 14 ALA CA C 1.046 -0.902 5.356 1.00 . A A . 14 ALA CA 1 1
14 2777 1 1 14 ALA CB C 1.802 -1.419 4.116 1.00 . A A . 14 ALA CB 1 1
14 2778 1 1 14 ALA H H 2.184 0.861 6.037 1.00 . A A . 14 ALA H 1 1
14 2779 1 1 14 ALA HXT H 3.231 -1.506 6.146 1.00 . A A . 14 ALA HXT 1 1
14 2780 1 1 14 ALA HA H -0.030 -1.059 5.157 1.00 . A A . 14 ALA HA 1 1
14 2781 1 1 14 ALA HB1 H 1.473 -0.901 3.195 1.00 . A A . 14 ALA HB1 1 1
14 2782 1 1 14 ALA HB2 H 2.897 -1.282 4.193 1.00 . A A . 14 ALA HB2 1 1
14 2783 1 1 14 ALA HB3 H 1.616 -2.498 3.955 1.00 . A A . 14 ALA HB3 1 1
14 2784 1 1 14 ALA N N 1.327 0.538 5.574 1.00 . A A . 14 ALA N 1 1
14 2785 1 1 14 ALA O O 0.484 -2.052 7.434 1.00 . A A . 14 ALA O 1 1
14 2786 1 1 14 ALA OXT O 2.704 -1.870 6.861 1.00 . A A . 14 ALA OXT 1 1
15 2787 1 1 1 ACE C C -7.371 -8.348 -3.233 1.00 . A A . 1 ACE C 1 1
15 2788 1 1 1 ACE CH3 C -8.718 -9.026 -3.465 1.00 . A A . 1 ACE CH3 1 1
15 2789 1 1 1 ACE H1 H -8.590 -10.000 -3.972 1.00 . A A . 1 ACE H1 1 1
15 2790 1 1 1 ACE H2 H -9.244 -9.220 -2.512 1.00 . A A . 1 ACE H2 1 1
15 2791 1 1 1 ACE H3 H -9.378 -8.409 -4.102 1.00 . A A . 1 ACE H3 1 1
15 2792 1 1 1 ACE O O -6.328 -8.890 -3.603 1.00 . A A . 1 ACE O 1 1
15 2793 1 1 2 ILE C C -6.021 -6.347 -0.748 1.00 . A A . 2 ILE C 1 1
15 2794 1 1 2 ILE CA C -6.217 -6.338 -2.301 1.00 . A A . 2 ILE CA 1 1
15 2795 1 1 2 ILE CB C -6.311 -4.878 -2.885 1.00 . A A . 2 ILE CB 1 1
15 2796 1 1 2 ILE CD1 C -5.753 -5.441 -5.406 1.00 . A A . 2 ILE CD1 1 1
15 2797 1 1 2 ILE CG1 C -6.702 -4.772 -4.393 1.00 . A A . 2 ILE CG1 1 1
15 2798 1 1 2 ILE CG2 C -5.049 -4.010 -2.630 1.00 . A A . 2 ILE CG2 1 1
15 2799 1 1 2 ILE H H -8.370 -6.868 -2.339 1.00 . A A . 2 ILE H 1 1
15 2800 1 1 2 ILE HA H -5.338 -6.809 -2.781 1.00 . A A . 2 ILE HA 1 1
15 2801 1 1 2 ILE HB H -7.118 -4.378 -2.321 1.00 . A A . 2 ILE HB 1 1
15 2802 1 1 2 ILE HD11 H -6.124 -5.315 -6.440 1.00 . A A . 2 ILE HD11 1 1
15 2803 1 1 2 ILE HD12 H -4.738 -5.006 -5.370 1.00 . A A . 2 ILE HD12 1 1
15 2804 1 1 2 ILE HD13 H -5.657 -6.527 -5.226 1.00 . A A . 2 ILE HD13 1 1
15 2805 1 1 2 ILE HG12 H -7.714 -5.197 -4.537 1.00 . A A . 2 ILE HG12 1 1
15 2806 1 1 2 ILE HG13 H -6.820 -3.707 -4.671 1.00 . A A . 2 ILE HG13 1 1
15 2807 1 1 2 ILE HG21 H -5.150 -2.993 -3.055 1.00 . A A . 2 ILE HG21 1 1
15 2808 1 1 2 ILE HG22 H -4.853 -3.867 -1.552 1.00 . A A . 2 ILE HG22 1 1
15 2809 1 1 2 ILE HG23 H -4.138 -4.459 -3.068 1.00 . A A . 2 ILE HG23 1 1
15 2810 1 1 2 ILE N N -7.427 -7.158 -2.619 1.00 . A A . 2 ILE N 1 1
15 2811 1 1 2 ILE O O -6.985 -6.269 0.024 1.00 . A A . 2 ILE O 1 1
15 2812 1 1 3 TRP C C -4.904 -5.224 2.049 1.00 . A A . 3 TRP C 1 1
15 2813 1 1 3 TRP CA C -4.388 -6.402 1.153 1.00 . A A . 3 TRP CA 1 1
15 2814 1 1 3 TRP CB C -2.869 -6.709 1.354 1.00 . A A . 3 TRP CB 1 1
15 2815 1 1 3 TRP CD1 C -1.068 -5.382 -0.059 1.00 . A A . 3 TRP CD1 1 1
15 2816 1 1 3 TRP CD2 C -1.394 -4.617 2.005 1.00 . A A . 3 TRP CD2 1 1
15 2817 1 1 3 TRP CE2 C -0.399 -3.839 1.360 1.00 . A A . 3 TRP CE2 1 1
15 2818 1 1 3 TRP CE3 C -1.727 -4.369 3.363 1.00 . A A . 3 TRP CE3 1 1
15 2819 1 1 3 TRP CG C -1.838 -5.583 1.109 1.00 . A A . 3 TRP CG 1 1
15 2820 1 1 3 TRP CH2 C -0.079 -2.577 3.398 1.00 . A A . 3 TRP CH2 1 1
15 2821 1 1 3 TRP CZ2 C 0.270 -2.813 2.069 1.00 . A A . 3 TRP CZ2 1 1
15 2822 1 1 3 TRP CZ3 C -1.063 -3.342 4.035 1.00 . A A . 3 TRP CZ3 1 1
15 2823 1 1 3 TRP H H -4.062 -6.456 -1.061 1.00 . A A . 3 TRP H 1 1
15 2824 1 1 3 TRP HA H -4.911 -7.275 1.562 1.00 . A A . 3 TRP HA 1 1
15 2825 1 1 3 TRP HB2 H -2.731 -7.066 2.392 1.00 . A A . 3 TRP HB2 1 1
15 2826 1 1 3 TRP HB3 H -2.590 -7.589 0.744 1.00 . A A . 3 TRP HB3 1 1
15 2827 1 1 3 TRP HD1 H -1.083 -6.022 -0.927 1.00 . A A . 3 TRP HD1 1 1
15 2828 1 1 3 TRP HE1 H 0.499 -3.950 -0.613 1.00 . A A . 3 TRP HE1 1 1
15 2829 1 1 3 TRP HE3 H -2.472 -4.962 3.873 1.00 . A A . 3 TRP HE3 1 1
15 2830 1 1 3 TRP HH2 H 0.426 -1.797 3.949 1.00 . A A . 3 TRP HH2 1 1
15 2831 1 1 3 TRP HZ2 H 1.050 -2.232 1.601 1.00 . A A . 3 TRP HZ2 1 1
15 2832 1 1 3 TRP HZ3 H -1.308 -3.140 5.068 1.00 . A A . 3 TRP HZ3 1 1
15 2833 1 1 3 TRP N N -4.750 -6.395 -0.303 1.00 . A A . 3 TRP N 1 1
15 2834 1 1 3 TRP NE1 N -0.185 -4.293 0.071 1.00 . A A . 3 TRP NE1 1 1
15 2835 1 1 3 TRP O O -5.376 -5.438 3.169 1.00 . A A . 3 TRP O 1 1
15 2836 1 1 4 GLY C C -4.233 -1.628 1.723 1.00 . A A . 4 GLY C 1 1
15 2837 1 1 4 GLY CA C -5.179 -2.752 2.198 1.00 . A A . 4 GLY CA 1 1
15 2838 1 1 4 GLY H H -4.357 -4.050 0.595 1.00 . A A . 4 GLY H 1 1
15 2839 1 1 4 GLY HA2 H -6.239 -2.515 1.990 1.00 . A A . 4 GLY HA2 1 1
15 2840 1 1 4 GLY HA3 H -5.110 -2.854 3.302 1.00 . A A . 4 GLY HA3 1 1
15 2841 1 1 4 GLY N N -4.780 -4.006 1.524 1.00 . A A . 4 GLY N 1 1
15 2842 1 1 4 GLY O O -3.387 -1.194 2.510 1.00 . A A . 4 GLY O 1 1
15 2843 1 1 5 GLU C C -4.292 0.779 -1.073 1.00 . A A . 5 GLU C 1 1
15 2844 1 1 5 GLU CA C -3.467 -0.112 -0.104 1.00 . A A . 5 GLU CA 1 1
15 2845 1 1 5 GLU CB C -2.255 -0.832 -0.767 1.00 . A A . 5 GLU CB 1 1
15 2846 1 1 5 GLU CD C 0.190 -0.668 -1.548 1.00 . A A . 5 GLU CD 1 1
15 2847 1 1 5 GLU CG C -1.117 0.095 -1.254 1.00 . A A . 5 GLU CG 1 1
15 2848 1 1 5 GLU H H -5.047 -1.624 -0.149 1.00 . A A . 5 GLU H 1 1
15 2849 1 1 5 GLU HA H -3.067 0.522 0.715 1.00 . A A . 5 GLU HA 1 1
15 2850 1 1 5 GLU HB2 H -1.833 -1.547 -0.034 1.00 . A A . 5 GLU HB2 1 1
15 2851 1 1 5 GLU HB3 H -2.602 -1.465 -1.609 1.00 . A A . 5 GLU HB3 1 1
15 2852 1 1 5 GLU HG2 H -1.436 0.619 -2.175 1.00 . A A . 5 GLU HG2 1 1
15 2853 1 1 5 GLU HG3 H -0.947 0.902 -0.514 1.00 . A A . 5 GLU HG3 1 1
15 2854 1 1 5 GLU N N -4.357 -1.163 0.456 1.00 . A A . 5 GLU N 1 1
15 2855 1 1 5 GLU O O -4.461 0.443 -2.251 1.00 . A A . 5 GLU O 1 1
15 2856 1 1 5 GLU OE1 O 0.272 -1.422 -2.521 1.00 . A A . 5 GLU OE1 1 1
15 2857 1 1 6 SER C C -5.322 4.311 -0.849 1.00 . A A . 6 SER C 1 1
15 2858 1 1 6 SER CA C -5.621 2.871 -1.352 1.00 . A A . 6 SER CA 1 1
15 2859 1 1 6 SER CB C -7.132 2.538 -1.260 1.00 . A A . 6 SER CB 1 1
15 2860 1 1 6 SER H H -4.620 2.057 0.441 1.00 . A A . 6 SER H 1 1
15 2861 1 1 6 SER HA H -5.345 2.804 -2.425 1.00 . A A . 6 SER HA 1 1
15 2862 1 1 6 SER HB2 H -7.472 2.510 -0.207 1.00 . A A . 6 SER HB2 1 1
15 2863 1 1 6 SER HB3 H -7.729 3.330 -1.751 1.00 . A A . 6 SER HB3 1 1
15 2864 1 1 6 SER HG H -8.376 1.161 -1.792 1.00 . A A . 6 SER HG 1 1
15 2865 1 1 6 SER N N -4.807 1.912 -0.557 1.00 . A A . 6 SER N 1 1
15 2866 1 1 6 SER O O -5.851 4.744 0.182 1.00 . A A . 6 SER O 1 1
15 2867 1 1 6 SER OG O -7.430 1.295 -1.890 1.00 . A A . 6 SER OG 1 1
15 2868 1 1 7 GLY C C -2.642 6.738 -1.657 1.00 . A A . 7 GLY C 1 1
15 2869 1 1 7 GLY CA C -4.087 6.432 -1.230 1.00 . A A . 7 GLY CA 1 1
15 2870 1 1 7 GLY H H -4.058 4.550 -2.387 1.00 . A A . 7 GLY H 1 1
15 2871 1 1 7 GLY HA2 H -4.769 7.128 -1.755 1.00 . A A . 7 GLY HA2 1 1
15 2872 1 1 7 GLY HA3 H -4.236 6.643 -0.152 1.00 . A A . 7 GLY HA3 1 1
15 2873 1 1 7 GLY N N -4.463 5.041 -1.581 1.00 . A A . 7 GLY N 1 1
15 2874 1 1 7 GLY O O -2.394 7.013 -2.834 1.00 . A A . 7 GLY O 1 1
15 2875 1 1 8 LYS C C 0.435 5.613 -1.342 1.00 . A A . 8 LYS C 1 1
15 2876 1 1 8 LYS CA C -0.259 6.956 -0.962 1.00 . A A . 8 LYS CA 1 1
15 2877 1 1 8 LYS CB C 0.374 7.631 0.285 1.00 . A A . 8 LYS CB 1 1
15 2878 1 1 8 LYS CD C 2.401 8.840 1.310 1.00 . A A . 8 LYS CD 1 1
15 2879 1 1 8 LYS CE C 3.820 9.384 1.064 1.00 . A A . 8 LYS CE 1 1
15 2880 1 1 8 LYS CG C 1.773 8.241 0.036 1.00 . A A . 8 LYS CG 1 1
15 2881 1 1 8 LYS H H -2.036 6.416 0.232 1.00 . A A . 8 LYS H 1 1
15 2882 1 1 8 LYS HA H -0.176 7.680 -1.800 1.00 . A A . 8 LYS HA 1 1
15 2883 1 1 8 LYS HB2 H -0.288 8.443 0.646 1.00 . A A . 8 LYS HB2 1 1
15 2884 1 1 8 LYS HB3 H 0.422 6.904 1.121 1.00 . A A . 8 LYS HB3 1 1
15 2885 1 1 8 LYS HD2 H 1.746 9.646 1.697 1.00 . A A . 8 LYS HD2 1 1
15 2886 1 1 8 LYS HD3 H 2.428 8.067 2.103 1.00 . A A . 8 LYS HD3 1 1
15 2887 1 1 8 LYS HE2 H 4.479 8.580 0.680 1.00 . A A . 8 LYS HE2 1 1
15 2888 1 1 8 LYS HE3 H 3.804 10.166 0.280 1.00 . A A . 8 LYS HE3 1 1
15 2889 1 1 8 LYS HG2 H 2.448 7.470 -0.381 1.00 . A A . 8 LYS HG2 1 1
15 2890 1 1 8 LYS HG3 H 1.699 9.022 -0.746 1.00 . A A . 8 LYS HG3 1 1
15 2891 1 1 8 LYS HZ1 H 5.346 10.306 2.162 1.00 . A A . 8 LYS HZ1 1 1
15 2892 1 1 8 LYS HZ2 H 3.832 10.714 2.676 1.00 . A A . 8 LYS HZ2 1 1
15 2893 1 1 8 LYS HZ3 H 4.458 9.236 3.050 1.00 . A A . 8 LYS HZ3 1 1
15 2894 1 1 8 LYS N N -1.701 6.697 -0.695 1.00 . A A . 8 LYS N 1 1
15 2895 1 1 8 LYS NZ N 4.397 9.941 2.306 1.00 . A A . 8 LYS NZ 1 1
15 2896 1 1 8 LYS O O 0.296 4.607 -0.634 1.00 . A A . 8 LYS O 1 1
15 2897 1 1 9 LEU C C 3.283 4.165 -2.233 1.00 . A A . 9 LEU C 1 1
15 2898 1 1 9 LEU CA C 1.910 4.404 -2.946 1.00 . A A . 9 LEU CA 1 1
15 2899 1 1 9 LEU CB C 2.050 4.480 -4.504 1.00 . A A . 9 LEU CB 1 1
15 2900 1 1 9 LEU CD1 C -0.307 5.320 -5.276 1.00 . A A . 9 LEU CD1 1 1
15 2901 1 1 9 LEU CD2 C 1.263 4.236 -6.904 1.00 . A A . 9 LEU CD2 1 1
15 2902 1 1 9 LEU CG C 0.809 4.266 -5.430 1.00 . A A . 9 LEU CG 1 1
15 2903 1 1 9 LEU H H 1.227 6.506 -2.958 1.00 . A A . 9 LEU H 1 1
15 2904 1 1 9 LEU HA H 1.291 3.511 -2.721 1.00 . A A . 9 LEU HA 1 1
15 2905 1 1 9 LEU HB2 H 2.550 5.432 -4.776 1.00 . A A . 9 LEU HB2 1 1
15 2906 1 1 9 LEU HB3 H 2.786 3.705 -4.797 1.00 . A A . 9 LEU HB3 1 1
15 2907 1 1 9 LEU HD11 H 0.069 6.351 -5.415 1.00 . A A . 9 LEU HD11 1 1
15 2908 1 1 9 LEU HD12 H -1.122 5.169 -6.009 1.00 . A A . 9 LEU HD12 1 1
15 2909 1 1 9 LEU HD13 H -0.782 5.272 -4.280 1.00 . A A . 9 LEU HD13 1 1
15 2910 1 1 9 LEU HD21 H 1.714 5.195 -7.223 1.00 . A A . 9 LEU HD21 1 1
15 2911 1 1 9 LEU HD22 H 2.015 3.446 -7.085 1.00 . A A . 9 LEU HD22 1 1
15 2912 1 1 9 LEU HD23 H 0.420 4.028 -7.590 1.00 . A A . 9 LEU HD23 1 1
15 2913 1 1 9 LEU HG H 0.362 3.274 -5.230 1.00 . A A . 9 LEU HG 1 1
15 2914 1 1 9 LEU N N 1.209 5.619 -2.443 1.00 . A A . 9 LEU N 1 1
15 2915 1 1 9 LEU O O 4.357 4.448 -2.773 1.00 . A A . 9 LEU O 1 1
15 2916 1 1 10 ILE C C 4.086 1.894 0.516 1.00 . A A . 10 ILE C 1 1
15 2917 1 1 10 ILE CA C 4.400 3.274 -0.165 1.00 . A A . 10 ILE CA 1 1
15 2918 1 1 10 ILE CB C 4.851 4.436 0.802 1.00 . A A . 10 ILE CB 1 1
15 2919 1 1 10 ILE CD1 C 3.059 4.514 2.736 1.00 . A A . 10 ILE CD1 1 1
15 2920 1 1 10 ILE CG1 C 3.763 5.240 1.583 1.00 . A A . 10 ILE CG1 1 1
15 2921 1 1 10 ILE CG2 C 5.762 5.447 0.061 1.00 . A A . 10 ILE CG2 1 1
15 2922 1 1 10 ILE H H 2.271 3.560 -0.611 1.00 . A A . 10 ILE H 1 1
15 2923 1 1 10 ILE HA H 5.265 3.063 -0.828 1.00 . A A . 10 ILE HA 1 1
15 2924 1 1 10 ILE HB H 5.501 3.968 1.558 1.00 . A A . 10 ILE HB 1 1
15 2925 1 1 10 ILE HD11 H 2.399 5.204 3.293 1.00 . A A . 10 ILE HD11 1 1
15 2926 1 1 10 ILE HD12 H 2.428 3.683 2.376 1.00 . A A . 10 ILE HD12 1 1
15 2927 1 1 10 ILE HD13 H 3.785 4.103 3.463 1.00 . A A . 10 ILE HD13 1 1
15 2928 1 1 10 ILE HG12 H 4.219 6.146 2.026 1.00 . A A . 10 ILE HG12 1 1
15 2929 1 1 10 ILE HG13 H 2.999 5.624 0.884 1.00 . A A . 10 ILE HG13 1 1
15 2930 1 1 10 ILE HG21 H 5.207 6.022 -0.705 1.00 . A A . 10 ILE HG21 1 1
15 2931 1 1 10 ILE HG22 H 6.216 6.180 0.754 1.00 . A A . 10 ILE HG22 1 1
15 2932 1 1 10 ILE HG23 H 6.602 4.946 -0.454 1.00 . A A . 10 ILE HG23 1 1
15 2933 1 1 10 ILE N N 3.216 3.626 -1.002 1.00 . A A . 10 ILE N 1 1
15 2934 1 1 10 ILE O O 4.038 1.772 1.743 1.00 . A A . 10 ILE O 1 1
15 2935 1 1 11 . C C 2.508 -1.138 -0.795 1.00 . A A . 11 SET C 1 1
15 2936 1 1 11 . CA C 3.575 -0.539 0.174 1.00 . A A . 11 SET CA 1 1
15 2937 1 1 11 . CB C 4.835 -1.450 0.336 1.00 . A A . 11 SET CB 1 1
15 2938 1 1 11 . H H 3.921 1.062 -1.302 1.00 . A A . 11 SET H 1 1
15 2939 1 1 11 . HA H 3.054 -0.488 1.155 1.00 . A A . 11 SET HA 1 1
15 2940 1 1 11 . HB2 H 2.875 -1.114 -1.841 1.00 . A A . 11 SET HB2 1 1
15 2941 1 1 11 . HB3 H 2.359 -2.211 -0.565 1.00 . A A . 11 SET HB3 1 1
15 2942 1 1 11 . HNT2 H 0.982 0.188 0.078 1.00 . A A . 11 SET HNT2 1 1
15 2943 1 1 11 . N N 3.927 0.829 -0.303 1.00 . A A . 11 SET N 1 1
15 2944 1 1 11 . NT N 1.192 -0.463 -0.684 1.00 . A A . 11 SET NT 1 1
15 2945 1 1 11 . OG O 5.042 -2.380 -0.451 1.00 . A A . 11 SET OG 1 1
15 2946 1 1 12 THR C C 6.626 -3.482 2.177 1.00 . A A . 12 THR C 1 1
15 2947 1 1 12 THR CA C 6.894 -2.030 1.640 1.00 . A A . 12 THR CA 1 1
15 2948 1 1 12 THR CB C 7.899 -1.212 2.509 1.00 . A A . 12 THR CB 1 1
15 2949 1 1 12 THR CG2 C 7.486 -0.923 3.966 1.00 . A A . 12 THR CG2 1 1
15 2950 1 1 12 THR H H 5.571 -0.301 1.845 1.00 . A A . 12 THR H 1 1
15 2951 1 1 12 THR HA H 7.406 -2.167 0.667 1.00 . A A . 12 THR HA 1 1
15 2952 1 1 12 THR HB H 8.069 -0.235 2.015 1.00 . A A . 12 THR HB 1 1
15 2953 1 1 12 THR HG1 H 9.723 -1.357 3.110 1.00 . A A . 12 THR HG1 1 1
15 2954 1 1 12 THR HG21 H 7.371 -1.853 4.554 1.00 . A A . 12 THR HG21 1 1
15 2955 1 1 12 THR HG22 H 8.241 -0.303 4.484 1.00 . A A . 12 THR HG22 1 1
15 2956 1 1 12 THR HG23 H 6.527 -0.377 4.021 1.00 . A A . 12 THR HG23 1 1
15 2957 1 1 12 THR N N 5.675 -1.205 1.370 1.00 . A A . 12 THR N 1 1
15 2958 1 1 12 THR O O 7.400 -4.388 1.854 1.00 . A A . 12 THR O 1 1
15 2959 1 1 12 THR OG1 O 9.155 -1.882 2.541 1.00 . A A . 12 THR OG1 1 1
15 2960 1 1 13 THR C C 3.658 -5.159 3.613 1.00 . A A . 13 THR C 1 1
15 2961 1 1 13 THR CA C 5.211 -5.031 3.548 1.00 . A A . 13 THR CA 1 1
15 2962 1 1 13 THR CB C 5.941 -5.341 4.895 1.00 . A A . 13 THR CB 1 1
15 2963 1 1 13 THR CG2 C 5.558 -4.505 6.132 1.00 . A A . 13 THR CG2 1 1
15 2964 1 1 13 THR H H 4.938 -2.889 3.053 1.00 . A A . 13 THR H 1 1
15 2965 1 1 13 THR HA H 5.576 -5.796 2.831 1.00 . A A . 13 THR HA 1 1
15 2966 1 1 13 THR HB H 7.027 -5.204 4.728 1.00 . A A . 13 THR HB 1 1
15 2967 1 1 13 THR HG1 H 4.830 -6.785 5.517 1.00 . A A . 13 THR HG1 1 1
15 2968 1 1 13 THR HG21 H 6.163 -4.795 7.013 1.00 . A A . 13 THR HG21 1 1
15 2969 1 1 13 THR HG22 H 5.724 -3.425 5.969 1.00 . A A . 13 THR HG22 1 1
15 2970 1 1 13 THR HG23 H 4.497 -4.641 6.416 1.00 . A A . 13 THR HG23 1 1
15 2971 1 1 13 THR N N 5.569 -3.696 2.990 1.00 . A A . 13 THR N 1 1
15 2972 1 1 13 THR O O 2.958 -4.249 4.076 1.00 . A A . 13 THR O 1 1
15 2973 1 1 13 THR OG1 O 5.743 -6.710 5.229 1.00 . A A . 13 THR OG1 1 1
15 2974 1 1 14 ALA C C 1.176 -7.079 4.540 1.00 . A A . 14 ALA C 1 1
15 2975 1 1 14 ALA CA C 1.670 -6.584 3.162 1.00 . A A . 14 ALA CA 1 1
15 2976 1 1 14 ALA CB C 1.354 -7.576 2.028 1.00 . A A . 14 ALA CB 1 1
15 2977 1 1 14 ALA H H 3.807 -6.995 2.810 1.00 . A A . 14 ALA H 1 1
15 2978 1 1 14 ALA HXT H 0.717 -5.212 4.846 1.00 . A A . 14 ALA HXT 1 1
15 2979 1 1 14 ALA HA H 1.131 -5.652 2.915 1.00 . A A . 14 ALA HA 1 1
15 2980 1 1 14 ALA HB1 H 1.656 -7.179 1.040 1.00 . A A . 14 ALA HB1 1 1
15 2981 1 1 14 ALA HB2 H 1.863 -8.550 2.164 1.00 . A A . 14 ALA HB2 1 1
15 2982 1 1 14 ALA HB3 H 0.269 -7.783 1.965 1.00 . A A . 14 ALA HB3 1 1
15 2983 1 1 14 ALA N N 3.128 -6.315 3.169 1.00 . A A . 14 ALA N 1 1
15 2984 1 1 14 ALA O O 1.249 -8.247 4.923 1.00 . A A . 14 ALA O 1 1
15 2985 1 1 14 ALA OXT O 0.660 -6.057 5.298 1.00 . A A . 14 ALA OXT 1 1
16 2986 1 1 1 ACE C C -7.832 -7.917 -3.430 1.00 . A A . 1 ACE C 1 1
16 2987 1 1 1 ACE CH3 C -9.213 -8.528 -3.641 1.00 . A A . 1 ACE CH3 1 1
16 2988 1 1 1 ACE H1 H -9.730 -8.706 -2.680 1.00 . A A . 1 ACE H1 1 1
16 2989 1 1 1 ACE H2 H -9.855 -7.874 -4.260 1.00 . A A . 1 ACE H2 1 1
16 2990 1 1 1 ACE H3 H -9.142 -9.502 -4.159 1.00 . A A . 1 ACE H3 1 1
16 2991 1 1 1 ACE O O -6.822 -8.505 -3.825 1.00 . A A . 1 ACE O 1 1
16 2992 1 1 2 ILE C C -6.335 -6.015 -0.955 1.00 . A A . 2 ILE C 1 1
16 2993 1 1 2 ILE CA C -6.565 -5.974 -2.503 1.00 . A A . 2 ILE CA 1 1
16 2994 1 1 2 ILE CB C -6.602 -4.503 -3.067 1.00 . A A . 2 ILE CB 1 1
16 2995 1 1 2 ILE CD1 C -6.121 -5.061 -5.606 1.00 . A A . 2 ILE CD1 1 1
16 2996 1 1 2 ILE CG1 C -7.017 -4.361 -4.566 1.00 . A A . 2 ILE CG1 1 1
16 2997 1 1 2 ILE CG2 C -5.295 -3.699 -2.827 1.00 . A A . 2 ILE CG2 1 1
16 2998 1 1 2 ILE H H -8.741 -6.400 -2.502 1.00 . A A . 2 ILE H 1 1
16 2999 1 1 2 ILE HA H -5.719 -6.479 -3.009 1.00 . A A . 2 ILE HA 1 1
16 3000 1 1 2 ILE HB H -7.373 -3.973 -2.481 1.00 . A A . 2 ILE HB 1 1
16 3001 1 1 2 ILE HD11 H -6.505 -4.905 -6.630 1.00 . A A . 2 ILE HD11 1 1
16 3002 1 1 2 ILE HD12 H -5.085 -4.676 -5.585 1.00 . A A . 2 ILE HD12 1 1
16 3003 1 1 2 ILE HD13 H -6.075 -6.153 -5.440 1.00 . A A . 2 ILE HD13 1 1
16 3004 1 1 2 ILE HG12 H -8.050 -4.735 -4.694 1.00 . A A . 2 ILE HG12 1 1
16 3005 1 1 2 ILE HG13 H -7.089 -3.288 -4.829 1.00 . A A . 2 ILE HG13 1 1
16 3006 1 1 2 ILE HG21 H -5.356 -2.674 -3.239 1.00 . A A . 2 ILE HG21 1 1
16 3007 1 1 2 ILE HG22 H -5.072 -3.579 -1.752 1.00 . A A . 2 ILE HG22 1 1
16 3008 1 1 2 ILE HG23 H -4.416 -4.186 -3.289 1.00 . A A . 2 ILE HG23 1 1
16 3009 1 1 2 ILE N N -7.819 -6.732 -2.805 1.00 . A A . 2 ILE N 1 1
16 3010 1 1 2 ILE O O -7.277 -5.903 -0.161 1.00 . A A . 2 ILE O 1 1
16 3011 1 1 3 TRP C C -5.101 -4.988 1.830 1.00 . A A . 3 TRP C 1 1
16 3012 1 1 3 TRP CA C -4.665 -6.175 0.906 1.00 . A A . 3 TRP CA 1 1
16 3013 1 1 3 TRP CB C -3.160 -6.562 1.067 1.00 . A A . 3 TRP CB 1 1
16 3014 1 1 3 TRP CD1 C -1.319 -5.319 -0.369 1.00 . A A . 3 TRP CD1 1 1
16 3015 1 1 3 TRP CD2 C -1.559 -4.563 1.710 1.00 . A A . 3 TRP CD2 1 1
16 3016 1 1 3 TRP CE2 C -0.529 -3.840 1.056 1.00 . A A . 3 TRP CE2 1 1
16 3017 1 1 3 TRP CE3 C -1.847 -4.318 3.079 1.00 . A A . 3 TRP CE3 1 1
16 3018 1 1 3 TRP CG C -2.077 -5.489 0.812 1.00 . A A . 3 TRP CG 1 1
16 3019 1 1 3 TRP CH2 C -0.085 -2.638 3.107 1.00 . A A . 3 TRP CH2 1 1
16 3020 1 1 3 TRP CZ2 C 0.220 -2.873 1.766 1.00 . A A . 3 TRP CZ2 1 1
16 3021 1 1 3 TRP CZ3 C -1.103 -3.349 3.753 1.00 . A A . 3 TRP CZ3 1 1
16 3022 1 1 3 TRP H H -4.391 -6.207 -1.315 1.00 . A A . 3 TRP H 1 1
16 3023 1 1 3 TRP HA H -5.222 -7.026 1.314 1.00 . A A . 3 TRP HA 1 1
16 3024 1 1 3 TRP HB2 H -3.017 -6.940 2.098 1.00 . A A . 3 TRP HB2 1 1
16 3025 1 1 3 TRP HB3 H -2.941 -7.448 0.441 1.00 . A A . 3 TRP HB3 1 1
16 3026 1 1 3 TRP HD1 H -1.387 -5.948 -1.243 1.00 . A A . 3 TRP HD1 1 1
16 3027 1 1 3 TRP HE1 H 0.327 -3.983 -0.933 1.00 . A A . 3 TRP HE1 1 1
16 3028 1 1 3 TRP HE3 H -2.615 -4.874 3.597 1.00 . A A . 3 TRP HE3 1 1
16 3029 1 1 3 TRP HH2 H 0.484 -1.905 3.660 1.00 . A A . 3 TRP HH2 1 1
16 3030 1 1 3 TRP HZ2 H 1.028 -2.338 1.292 1.00 . A A . 3 TRP HZ2 1 1
16 3031 1 1 3 TRP HZ3 H -1.309 -3.154 4.795 1.00 . A A . 3 TRP HZ3 1 1
16 3032 1 1 3 TRP N N -5.059 -6.128 -0.541 1.00 . A A . 3 TRP N 1 1
16 3033 1 1 3 TRP NE1 N -0.369 -4.288 -0.243 1.00 . A A . 3 TRP NE1 1 1
16 3034 1 1 3 TRP O O -5.565 -5.196 2.954 1.00 . A A . 3 TRP O 1 1
16 3035 1 1 4 GLY C C -4.248 -1.423 1.567 1.00 . A A . 4 GLY C 1 1
16 3036 1 1 4 GLY CA C -5.244 -2.508 2.029 1.00 . A A . 4 GLY CA 1 1
16 3037 1 1 4 GLY H H -4.519 -3.816 0.388 1.00 . A A . 4 GLY H 1 1
16 3038 1 1 4 GLY HA2 H -6.293 -2.212 1.842 1.00 . A A . 4 GLY HA2 1 1
16 3039 1 1 4 GLY HA3 H -5.167 -2.638 3.130 1.00 . A A . 4 GLY HA3 1 1
16 3040 1 1 4 GLY N N -4.923 -3.768 1.325 1.00 . A A . 4 GLY N 1 1
16 3041 1 1 4 GLY O O -3.371 -1.051 2.352 1.00 . A A . 4 GLY O 1 1
16 3042 1 1 5 GLU C C -4.225 1.063 -1.156 1.00 . A A . 5 GLU C 1 1
16 3043 1 1 5 GLU CA C -3.431 0.098 -0.232 1.00 . A A . 5 GLU CA 1 1
16 3044 1 1 5 GLU CB C -2.268 -0.659 -0.938 1.00 . A A . 5 GLU CB 1 1
16 3045 1 1 5 GLU CD C 0.174 -0.580 -1.746 1.00 . A A . 5 GLU CD 1 1
16 3046 1 1 5 GLU CG C -1.099 0.228 -1.427 1.00 . A A . 5 GLU CG 1 1
16 3047 1 1 5 GLU H H -5.085 -1.333 -0.293 1.00 . A A . 5 GLU H 1 1
16 3048 1 1 5 GLU HA H -2.985 0.687 0.597 1.00 . A A . 5 GLU HA 1 1
16 3049 1 1 5 GLU HB2 H -1.865 -1.411 -0.231 1.00 . A A . 5 GLU HB2 1 1
16 3050 1 1 5 GLU HB3 H -2.660 -1.254 -1.788 1.00 . A A . 5 GLU HB3 1 1
16 3051 1 1 5 GLU HG2 H -1.407 0.777 -2.336 1.00 . A A . 5 GLU HG2 1 1
16 3052 1 1 5 GLU HG3 H -0.889 1.018 -0.679 1.00 . A A . 5 GLU HG3 1 1
16 3053 1 1 5 GLU N N -4.365 -0.922 0.314 1.00 . A A . 5 GLU N 1 1
16 3054 1 1 5 GLU O O -4.417 0.787 -2.346 1.00 . A A . 5 GLU O 1 1
16 3055 1 1 5 GLU OE1 O 0.218 -1.321 -2.732 1.00 . A A . 5 GLU OE1 1 1
16 3056 1 1 6 SER C C -5.152 4.614 -0.735 1.00 . A A . 6 SER C 1 1
16 3057 1 1 6 SER CA C -5.470 3.216 -1.336 1.00 . A A . 6 SER CA 1 1
16 3058 1 1 6 SER CB C -6.991 2.912 -1.305 1.00 . A A . 6 SER CB 1 1
16 3059 1 1 6 SER H H -4.497 2.285 0.415 1.00 . A A . 6 SER H 1 1
16 3060 1 1 6 SER HA H -5.166 3.212 -2.403 1.00 . A A . 6 SER HA 1 1
16 3061 1 1 6 SER HB2 H -7.369 2.864 -0.266 1.00 . A A . 6 SER HB2 1 1
16 3062 1 1 6 SER HB3 H -7.553 3.730 -1.793 1.00 . A A . 6 SER HB3 1 1
16 3063 1 1 6 SER HG H -6.841 1.719 -2.817 1.00 . A A . 6 SER HG 1 1
16 3064 1 1 6 SER N N -4.693 2.191 -0.587 1.00 . A A . 6 SER N 1 1
16 3065 1 1 6 SER O O -5.718 5.005 0.293 1.00 . A A . 6 SER O 1 1
16 3066 1 1 6 SER OG O -7.298 1.691 -1.973 1.00 . A A . 6 SER OG 1 1
16 3067 1 1 7 GLY C C -2.360 6.990 -1.281 1.00 . A A . 7 GLY C 1 1
16 3068 1 1 7 GLY CA C -3.829 6.707 -0.928 1.00 . A A . 7 GLY CA 1 1
16 3069 1 1 7 GLY H H -3.801 4.894 -2.190 1.00 . A A . 7 GLY H 1 1
16 3070 1 1 7 GLY HA2 H -4.469 7.457 -1.431 1.00 . A A . 7 GLY HA2 1 1
16 3071 1 1 7 GLY HA3 H -4.011 6.855 0.156 1.00 . A A . 7 GLY HA3 1 1
16 3072 1 1 7 GLY N N -4.232 5.354 -1.380 1.00 . A A . 7 GLY N 1 1
16 3073 1 1 7 GLY O O -2.060 7.359 -2.419 1.00 . A A . 7 GLY O 1 1
16 3074 1 1 8 LYS C C 0.654 5.709 -0.973 1.00 . A A . 8 LYS C 1 1
16 3075 1 1 8 LYS CA C 0.004 7.042 -0.493 1.00 . A A . 8 LYS CA 1 1
16 3076 1 1 8 LYS CB C 0.619 7.570 0.832 1.00 . A A . 8 LYS CB 1 1
16 3077 1 1 8 LYS CD C 2.659 8.578 2.031 1.00 . A A . 8 LYS CD 1 1
16 3078 1 1 8 LYS CE C 4.107 9.082 1.883 1.00 . A A . 8 LYS CE 1 1
16 3079 1 1 8 LYS CG C 2.050 8.138 0.685 1.00 . A A . 8 LYS CG 1 1
16 3080 1 1 8 LYS H H -1.837 6.476 0.590 1.00 . A A . 8 LYS H 1 1
16 3081 1 1 8 LYS HA H 0.146 7.835 -1.256 1.00 . A A . 8 LYS HA 1 1
16 3082 1 1 8 LYS HB2 H -0.022 8.373 1.246 1.00 . A A . 8 LYS HB2 1 1
16 3083 1 1 8 LYS HB3 H 0.607 6.768 1.596 1.00 . A A . 8 LYS HB3 1 1
16 3084 1 1 8 LYS HD2 H 2.025 9.368 2.479 1.00 . A A . 8 LYS HD2 1 1
16 3085 1 1 8 LYS HD3 H 2.629 7.728 2.741 1.00 . A A . 8 LYS HD3 1 1
16 3086 1 1 8 LYS HE2 H 4.744 8.294 1.435 1.00 . A A . 8 LYS HE2 1 1
16 3087 1 1 8 LYS HE3 H 4.147 9.941 1.185 1.00 . A A . 8 LYS HE3 1 1
16 3088 1 1 8 LYS HG2 H 2.705 7.383 0.212 1.00 . A A . 8 LYS HG2 1 1
16 3089 1 1 8 LYS HG3 H 2.035 8.995 -0.016 1.00 . A A . 8 LYS HG3 1 1
16 3090 1 1 8 LYS HZ1 H 4.119 10.235 3.626 1.00 . A A . 8 LYS HZ1 1 1
16 3091 1 1 8 LYS HZ2 H 4.674 8.700 3.858 1.00 . A A . 8 LYS HZ2 1 1
16 3092 1 1 8 LYS HZ3 H 5.632 9.819 3.114 1.00 . A A . 8 LYS HZ3 1 1
16 3093 1 1 8 LYS N N -1.456 6.823 -0.297 1.00 . A A . 8 LYS N 1 1
16 3094 1 1 8 LYS NZ N 4.665 9.481 3.192 1.00 . A A . 8 LYS NZ 1 1
16 3095 1 1 8 LYS O O 0.464 4.655 -0.353 1.00 . A A . 8 LYS O 1 1
16 3096 1 1 9 LEU C C 3.459 4.225 -1.943 1.00 . A A . 9 LEU C 1 1
16 3097 1 1 9 LEU CA C 2.108 4.578 -2.651 1.00 . A A . 9 LEU CA 1 1
16 3098 1 1 9 LEU CB C 2.275 4.774 -4.196 1.00 . A A . 9 LEU CB 1 1
16 3099 1 1 9 LEU CD1 C -0.037 5.760 -4.930 1.00 . A A . 9 LEU CD1 1 1
16 3100 1 1 9 LEU CD2 C 1.518 4.752 -6.619 1.00 . A A . 9 LEU CD2 1 1
16 3101 1 1 9 LEU CG C 1.043 4.681 -5.153 1.00 . A A . 9 LEU CG 1 1
16 3102 1 1 9 LEU H H 1.506 6.700 -2.500 1.00 . A A . 9 LEU H 1 1
16 3103 1 1 9 LEU HA H 1.451 3.695 -2.508 1.00 . A A . 9 LEU HA 1 1
16 3104 1 1 9 LEU HB2 H 2.813 5.724 -4.383 1.00 . A A . 9 LEU HB2 1 1
16 3105 1 1 9 LEU HB3 H 2.987 3.998 -4.542 1.00 . A A . 9 LEU HB3 1 1
16 3106 1 1 9 LEU HD11 H 0.379 6.784 -4.981 1.00 . A A . 9 LEU HD11 1 1
16 3107 1 1 9 LEU HD12 H -0.845 5.698 -5.682 1.00 . A A . 9 LEU HD12 1 1
16 3108 1 1 9 LEU HD13 H -0.529 5.651 -3.947 1.00 . A A . 9 LEU HD13 1 1
16 3109 1 1 9 LEU HD21 H 2.009 5.715 -6.853 1.00 . A A . 9 LEU HD21 1 1
16 3110 1 1 9 LEU HD22 H 2.244 3.950 -6.853 1.00 . A A . 9 LEU HD22 1 1
16 3111 1 1 9 LEU HD23 H 0.680 4.630 -7.330 1.00 . A A . 9 LEU HD23 1 1
16 3112 1 1 9 LEU HG H 0.556 3.693 -5.039 1.00 . A A . 9 LEU HG 1 1
16 3113 1 1 9 LEU N N 1.446 5.775 -2.060 1.00 . A A . 9 LEU N 1 1
16 3114 1 1 9 LEU O O 4.551 4.513 -2.443 1.00 . A A . 9 LEU O 1 1
16 3115 1 1 10 ILE C C 4.134 1.690 0.595 1.00 . A A . 10 ILE C 1 1
16 3116 1 1 10 ILE CA C 4.508 3.116 0.052 1.00 . A A . 10 ILE CA 1 1
16 3117 1 1 10 ILE CB C 4.983 4.167 1.128 1.00 . A A . 10 ILE CB 1 1
16 3118 1 1 10 ILE CD1 C 3.167 4.133 3.040 1.00 . A A . 10 ILE CD1 1 1
16 3119 1 1 10 ILE CG1 C 3.911 4.934 1.966 1.00 . A A . 10 ILE CG1 1 1
16 3120 1 1 10 ILE CG2 C 5.940 5.208 0.495 1.00 . A A . 10 ILE CG2 1 1
16 3121 1 1 10 ILE H H 2.399 3.524 -0.392 1.00 . A A . 10 ILE H 1 1
16 3122 1 1 10 ILE HA H 5.377 2.935 -0.615 1.00 . A A . 10 ILE HA 1 1
16 3123 1 1 10 ILE HB H 5.604 3.608 1.847 1.00 . A A . 10 ILE HB 1 1
16 3124 1 1 10 ILE HD11 H 2.523 4.794 3.649 1.00 . A A . 10 ILE HD11 1 1
16 3125 1 1 10 ILE HD12 H 2.513 3.360 2.600 1.00 . A A . 10 ILE HD12 1 1
16 3126 1 1 10 ILE HD13 H 3.868 3.634 3.736 1.00 . A A . 10 ILE HD13 1 1
16 3127 1 1 10 ILE HG12 H 4.390 5.781 2.494 1.00 . A A . 10 ILE HG12 1 1
16 3128 1 1 10 ILE HG13 H 3.171 5.405 1.295 1.00 . A A . 10 ILE HG13 1 1
16 3129 1 1 10 ILE HG21 H 5.418 5.869 -0.223 1.00 . A A . 10 ILE HG21 1 1
16 3130 1 1 10 ILE HG22 H 6.407 5.859 1.258 1.00 . A A . 10 ILE HG22 1 1
16 3131 1 1 10 ILE HG23 H 6.772 4.726 -0.052 1.00 . A A . 10 ILE HG23 1 1
16 3132 1 1 10 ILE N N 3.351 3.585 -0.765 1.00 . A A . 10 ILE N 1 1
16 3133 1 1 10 ILE O O 4.058 1.456 1.805 1.00 . A A . 10 ILE O 1 1
16 3134 1 1 11 . C C 2.480 -1.148 -1.024 1.00 . A A . 11 SET C 1 1
16 3135 1 1 11 . CA C 3.545 -0.680 0.017 1.00 . A A . 11 SET CA 1 1
16 3136 1 1 11 . CB C 4.768 -1.649 0.119 1.00 . A A . 11 SET CB 1 1
16 3137 1 1 11 . H H 3.968 1.041 -1.294 1.00 . A A . 11 SET H 1 1
16 3138 1 1 11 . HA H 3.004 -0.701 0.989 1.00 . A A . 11 SET HA 1 1
16 3139 1 1 11 . HB2 H 2.874 -1.052 -2.056 1.00 . A A . 11 SET HB2 1 1
16 3140 1 1 11 . HB3 H 2.282 -2.230 -0.889 1.00 . A A . 11 SET HB3 1 1
16 3141 1 1 11 . HNT2 H 1.012 0.220 -0.117 1.00 . A A . 11 SET HNT2 1 1
16 3142 1 1 11 . N N 3.954 0.713 -0.323 1.00 . A A . 11 SET N 1 1
16 3143 1 1 11 . NT N 1.191 -0.427 -0.890 1.00 . A A . 11 SET NT 1 1
16 3144 1 1 11 . OG O 4.952 -2.519 -0.740 1.00 . A A . 11 SET OG 1 1
16 3145 1 1 12 THR C C 6.451 -3.879 1.839 1.00 . A A . 12 THR C 1 1
16 3146 1 1 12 THR CA C 6.785 -2.411 1.394 1.00 . A A . 12 THR CA 1 1
16 3147 1 1 12 THR CB C 7.829 -1.695 2.307 1.00 . A A . 12 THR CB 1 1
16 3148 1 1 12 THR CG2 C 7.421 -1.455 3.774 1.00 . A A . 12 THR CG2 1 1
16 3149 1 1 12 THR H H 5.517 -0.662 1.733 1.00 . A A . 12 THR H 1 1
16 3150 1 1 12 THR HA H 7.289 -2.511 0.411 1.00 . A A . 12 THR HA 1 1
16 3151 1 1 12 THR HB H 8.055 -0.706 1.863 1.00 . A A . 12 THR HB 1 1
16 3152 1 1 12 THR HG1 H 9.303 -2.547 1.396 1.00 . A A . 12 THR HG1 1 1
16 3153 1 1 12 THR HG21 H 7.246 -2.404 4.313 1.00 . A A . 12 THR HG21 1 1
16 3154 1 1 12 THR HG22 H 8.210 -0.910 4.324 1.00 . A A . 12 THR HG22 1 1
16 3155 1 1 12 THR HG23 H 6.497 -0.853 3.852 1.00 . A A . 12 THR HG23 1 1
16 3156 1 1 12 THR N N 5.602 -1.522 1.178 1.00 . A A . 12 THR N 1 1
16 3157 1 1 12 THR O O 7.167 -4.800 1.433 1.00 . A A . 12 THR O 1 1
16 3158 1 1 12 THR OG1 O 9.047 -2.434 2.315 1.00 . A A . 12 THR OG1 1 1
16 3159 1 1 13 THR C C 3.438 -5.485 3.282 1.00 . A A . 13 THR C 1 1
16 3160 1 1 13 THR CA C 4.992 -5.444 3.143 1.00 . A A . 13 THR CA 1 1
16 3161 1 1 13 THR CB C 5.765 -5.900 4.422 1.00 . A A . 13 THR CB 1 1
16 3162 1 1 13 THR CG2 C 5.487 -5.146 5.738 1.00 . A A . 13 THR CG2 1 1
16 3163 1 1 13 THR H H 4.826 -3.259 2.816 1.00 . A A . 13 THR H 1 1
16 3164 1 1 13 THR HA H 5.273 -6.170 2.352 1.00 . A A . 13 THR HA 1 1
16 3165 1 1 13 THR HB H 6.849 -5.807 4.213 1.00 . A A . 13 THR HB 1 1
16 3166 1 1 13 THR HG1 H 5.984 -7.509 5.453 1.00 . A A . 13 THR HG1 1 1
16 3167 1 1 13 THR HG21 H 6.120 -5.527 6.562 1.00 . A A . 13 THR HG21 1 1
16 3168 1 1 13 THR HG22 H 5.695 -4.064 5.646 1.00 . A A . 13 THR HG22 1 1
16 3169 1 1 13 THR HG23 H 4.436 -5.256 6.065 1.00 . A A . 13 THR HG23 1 1
16 3170 1 1 13 THR N N 5.406 -4.093 2.667 1.00 . A A . 13 THR N 1 1
16 3171 1 1 13 THR O O 2.819 -4.569 3.837 1.00 . A A . 13 THR O 1 1
16 3172 1 1 13 THR OG1 O 5.501 -7.279 4.656 1.00 . A A . 13 THR OG1 1 1
16 3173 1 1 14 ALA C C 0.830 -7.248 4.216 1.00 . A A . 14 ALA C 1 1
16 3174 1 1 14 ALA CA C 1.348 -6.763 2.842 1.00 . A A . 14 ALA CA 1 1
16 3175 1 1 14 ALA CB C 0.925 -7.713 1.708 1.00 . A A . 14 ALA CB 1 1
16 3176 1 1 14 ALA H H 3.441 -7.259 2.343 1.00 . A A . 14 ALA H 1 1
16 3177 1 1 14 ALA HXT H 2.139 -8.675 4.049 1.00 . A A . 14 ALA HXT 1 1
16 3178 1 1 14 ALA HA H 0.862 -5.791 2.638 1.00 . A A . 14 ALA HA 1 1
16 3179 1 1 14 ALA HB1 H 1.217 -7.320 0.716 1.00 . A A . 14 ALA HB1 1 1
16 3180 1 1 14 ALA HB2 H 1.372 -8.721 1.808 1.00 . A A . 14 ALA HB2 1 1
16 3181 1 1 14 ALA HB3 H -0.173 -7.845 1.680 1.00 . A A . 14 ALA HB3 1 1
16 3182 1 1 14 ALA N N 2.819 -6.576 2.791 1.00 . A A . 14 ALA N 1 1
16 3183 1 1 14 ALA O O -0.064 -6.671 4.834 1.00 . A A . 14 ALA O 1 1
16 3184 1 1 14 ALA OXT O 1.461 -8.385 4.661 1.00 . A A . 14 ALA OXT 1 1
17 3185 1 1 1 ACE C C -5.165 -8.341 0.341 1.00 . A A . 1 ACE C 1 1
17 3186 1 1 1 ACE CH3 C -6.347 -9.305 0.352 1.00 . A A . 1 ACE CH3 1 1
17 3187 1 1 1 ACE H1 H -6.911 -9.266 -0.599 1.00 . A A . 1 ACE H1 1 1
17 3188 1 1 1 ACE H2 H -6.008 -10.348 0.489 1.00 . A A . 1 ACE H2 1 1
17 3189 1 1 1 ACE H3 H -7.049 -9.077 1.176 1.00 . A A . 1 ACE H3 1 1
17 3190 1 1 1 ACE O O -4.014 -8.761 0.477 1.00 . A A . 1 ACE O 1 1
17 3191 1 1 2 ILE C C -4.408 -5.291 1.558 1.00 . A A . 2 ILE C 1 1
17 3192 1 1 2 ILE CA C -4.456 -5.958 0.145 1.00 . A A . 2 ILE CA 1 1
17 3193 1 1 2 ILE CB C -4.711 -4.914 -1.004 1.00 . A A . 2 ILE CB 1 1
17 3194 1 1 2 ILE CD1 C -3.884 -6.397 -3.021 1.00 . A A . 2 ILE CD1 1 1
17 3195 1 1 2 ILE CG1 C -4.993 -5.517 -2.416 1.00 . A A . 2 ILE CG1 1 1
17 3196 1 1 2 ILE CG2 C -3.602 -3.835 -1.126 1.00 . A A . 2 ILE CG2 1 1
17 3197 1 1 2 ILE H H -6.485 -6.858 0.128 1.00 . A A . 2 ILE H 1 1
17 3198 1 1 2 ILE HA H -3.477 -6.421 -0.083 1.00 . A A . 2 ILE HA 1 1
17 3199 1 1 2 ILE HB H -5.617 -4.357 -0.711 1.00 . A A . 2 ILE HB 1 1
17 3200 1 1 2 ILE HD11 H -4.183 -6.796 -4.007 1.00 . A A . 2 ILE HD11 1 1
17 3201 1 1 2 ILE HD12 H -2.949 -5.830 -3.171 1.00 . A A . 2 ILE HD12 1 1
17 3202 1 1 2 ILE HD13 H -3.646 -7.264 -2.377 1.00 . A A . 2 ILE HD13 1 1
17 3203 1 1 2 ILE HG12 H -5.925 -6.113 -2.377 1.00 . A A . 2 ILE HG12 1 1
17 3204 1 1 2 ILE HG13 H -5.227 -4.703 -3.128 1.00 . A A . 2 ILE HG13 1 1
17 3205 1 1 2 ILE HG21 H -3.816 -3.116 -1.939 1.00 . A A . 2 ILE HG21 1 1
17 3206 1 1 2 ILE HG22 H -3.505 -3.232 -0.205 1.00 . A A . 2 ILE HG22 1 1
17 3207 1 1 2 ILE HG23 H -2.609 -4.274 -1.333 1.00 . A A . 2 ILE HG23 1 1
17 3208 1 1 2 ILE N N -5.479 -7.047 0.180 1.00 . A A . 2 ILE N 1 1
17 3209 1 1 2 ILE O O -5.440 -5.011 2.178 1.00 . A A . 2 ILE O 1 1
17 3210 1 1 3 TRP C C -3.550 -2.952 3.656 1.00 . A A . 3 TRP C 1 1
17 3211 1 1 3 TRP CA C -2.949 -4.370 3.368 1.00 . A A . 3 TRP CA 1 1
17 3212 1 1 3 TRP CB C -1.450 -4.526 3.778 1.00 . A A . 3 TRP CB 1 1
17 3213 1 1 3 TRP CD1 C 0.345 -3.399 2.180 1.00 . A A . 3 TRP CD1 1 1
17 3214 1 1 3 TRP CD2 C -0.079 -2.306 4.071 1.00 . A A . 3 TRP CD2 1 1
17 3215 1 1 3 TRP CE2 C 0.900 -1.606 3.326 1.00 . A A . 3 TRP CE2 1 1
17 3216 1 1 3 TRP CE3 C -0.524 -1.800 5.322 1.00 . A A . 3 TRP CE3 1 1
17 3217 1 1 3 TRP CG C -0.437 -3.441 3.357 1.00 . A A . 3 TRP CG 1 1
17 3218 1 1 3 TRP CH2 C 1.008 0.075 5.062 1.00 . A A . 3 TRP CH2 1 1
17 3219 1 1 3 TRP CZ2 C 1.458 -0.409 3.833 1.00 . A A . 3 TRP CZ2 1 1
17 3220 1 1 3 TRP CZ3 C 0.030 -0.609 5.794 1.00 . A A . 3 TRP CZ3 1 1
17 3221 1 1 3 TRP H H -2.437 -5.303 1.397 1.00 . A A . 3 TRP H 1 1
17 3222 1 1 3 TRP HA H -3.496 -5.015 4.066 1.00 . A A . 3 TRP HA 1 1
17 3223 1 1 3 TRP HB2 H -1.420 -4.590 4.881 1.00 . A A . 3 TRP HB2 1 1
17 3224 1 1 3 TRP HB3 H -1.069 -5.514 3.458 1.00 . A A . 3 TRP HB3 1 1
17 3225 1 1 3 TRP HD1 H 0.354 -4.142 1.401 1.00 . A A . 3 TRP HD1 1 1
17 3226 1 1 3 TRP HE1 H 1.807 -1.966 1.395 1.00 . A A . 3 TRP HE1 1 1
17 3227 1 1 3 TRP HE3 H -1.278 -2.318 5.898 1.00 . A A . 3 TRP HE3 1 1
17 3228 1 1 3 TRP HH2 H 1.421 0.992 5.454 1.00 . A A . 3 TRP HH2 1 1
17 3229 1 1 3 TRP HZ2 H 2.218 0.123 3.281 1.00 . A A . 3 TRP HZ2 1 1
17 3230 1 1 3 TRP HZ3 H -0.301 -0.210 6.742 1.00 . A A . 3 TRP HZ3 1 1
17 3231 1 1 3 TRP N N -3.184 -4.996 2.028 1.00 . A A . 3 TRP N 1 1
17 3232 1 1 3 TRP NE1 N 1.173 -2.266 2.144 1.00 . A A . 3 TRP NE1 1 1
17 3233 1 1 3 TRP O O -4.113 -2.708 4.727 1.00 . A A . 3 TRP O 1 1
17 3234 1 1 4 GLY C C -3.087 0.168 1.706 1.00 . A A . 4 GLY C 1 1
17 3235 1 1 4 GLY CA C -3.854 -0.647 2.770 1.00 . A A . 4 GLY CA 1 1
17 3236 1 1 4 GLY H H -2.948 -2.462 1.872 1.00 . A A . 4 GLY H 1 1
17 3237 1 1 4 GLY HA2 H -4.951 -0.585 2.643 1.00 . A A . 4 GLY HA2 1 1
17 3238 1 1 4 GLY HA3 H -3.649 -0.230 3.781 1.00 . A A . 4 GLY HA3 1 1
17 3239 1 1 4 GLY N N -3.387 -2.046 2.694 1.00 . A A . 4 GLY N 1 1
17 3240 1 1 4 GLY O O -2.131 0.859 2.069 1.00 . A A . 4 GLY O 1 1
17 3241 1 1 5 GLU C C -3.851 1.462 -1.612 1.00 . A A . 5 GLU C 1 1
17 3242 1 1 5 GLU CA C -2.787 0.806 -0.693 1.00 . A A . 5 GLU CA 1 1
17 3243 1 1 5 GLU CB C -1.881 -0.245 -1.393 1.00 . A A . 5 GLU CB 1 1
17 3244 1 1 5 GLU CD C 0.010 -0.864 -2.978 1.00 . A A . 5 GLU CD 1 1
17 3245 1 1 5 GLU CG C -1.042 0.207 -2.613 1.00 . A A . 5 GLU CG 1 1
17 3246 1 1 5 GLU H H -4.252 -0.553 0.191 1.00 . A A . 5 GLU H 1 1
17 3247 1 1 5 GLU HA H -2.116 1.596 -0.295 1.00 . A A . 5 GLU HA 1 1
17 3248 1 1 5 GLU HB2 H -1.185 -0.645 -0.628 1.00 . A A . 5 GLU HB2 1 1
17 3249 1 1 5 GLU HB3 H -2.493 -1.112 -1.709 1.00 . A A . 5 GLU HB3 1 1
17 3250 1 1 5 GLU HG2 H -1.699 0.383 -3.484 1.00 . A A . 5 GLU HG2 1 1
17 3251 1 1 5 GLU HG3 H -0.568 1.184 -2.391 1.00 . A A . 5 GLU HG3 1 1
17 3252 1 1 5 GLU N N -3.483 0.092 0.413 1.00 . A A . 5 GLU N 1 1
17 3253 1 1 5 GLU O O -4.421 0.811 -2.496 1.00 . A A . 5 GLU O 1 1
17 3254 1 1 5 GLU OE1 O -0.307 -2.054 -3.066 1.00 . A A . 5 GLU OE1 1 1
17 3255 1 1 6 SER C C -4.618 5.021 -2.181 1.00 . A A . 6 SER C 1 1
17 3256 1 1 6 SER CA C -5.102 3.546 -2.162 1.00 . A A . 6 SER CA 1 1
17 3257 1 1 6 SER CB C -6.522 3.382 -1.565 1.00 . A A . 6 SER CB 1 1
17 3258 1 1 6 SER H H -3.593 3.172 -0.596 1.00 . A A . 6 SER H 1 1
17 3259 1 1 6 SER HA H -5.143 3.162 -3.202 1.00 . A A . 6 SER HA 1 1
17 3260 1 1 6 SER HB2 H -6.806 2.313 -1.534 1.00 . A A . 6 SER HB2 1 1
17 3261 1 1 6 SER HB3 H -6.564 3.738 -0.518 1.00 . A A . 6 SER HB3 1 1
17 3262 1 1 6 SER HG H -7.272 5.017 -2.261 1.00 . A A . 6 SER HG 1 1
17 3263 1 1 6 SER N N -4.117 2.760 -1.376 1.00 . A A . 6 SER N 1 1
17 3264 1 1 6 SER O O -4.816 5.763 -1.212 1.00 . A A . 6 SER O 1 1
17 3265 1 1 6 SER OG O -7.486 4.084 -2.344 1.00 . A A . 6 SER OG 1 1
17 3266 1 1 7 GLY C C -1.944 6.936 -3.139 1.00 . A A . 7 GLY C 1 1
17 3267 1 1 7 GLY CA C -3.450 6.816 -3.441 1.00 . A A . 7 GLY CA 1 1
17 3268 1 1 7 GLY H H -3.794 4.694 -3.978 1.00 . A A . 7 GLY H 1 1
17 3269 1 1 7 GLY HA2 H -3.629 7.137 -4.484 1.00 . A A . 7 GLY HA2 1 1
17 3270 1 1 7 GLY HA3 H -4.020 7.544 -2.830 1.00 . A A . 7 GLY HA3 1 1
17 3271 1 1 7 GLY N N -3.973 5.433 -3.288 1.00 . A A . 7 GLY N 1 1
17 3272 1 1 7 GLY O O -1.143 7.122 -4.059 1.00 . A A . 7 GLY O 1 1
17 3273 1 1 8 LYS C C 0.656 5.656 -1.819 1.00 . A A . 8 LYS C 1 1
17 3274 1 1 8 LYS CA C -0.155 6.924 -1.398 1.00 . A A . 8 LYS CA 1 1
17 3275 1 1 8 LYS CB C -0.158 7.136 0.143 1.00 . A A . 8 LYS CB 1 1
17 3276 1 1 8 LYS CD C 1.160 7.648 2.291 1.00 . A A . 8 LYS CD 1 1
17 3277 1 1 8 LYS CE C 2.542 7.947 2.900 1.00 . A A . 8 LYS CE 1 1
17 3278 1 1 8 LYS CG C 1.211 7.511 0.757 1.00 . A A . 8 LYS CG 1 1
17 3279 1 1 8 LYS H H -2.343 6.658 -1.196 1.00 . A A . 8 LYS H 1 1
17 3280 1 1 8 LYS HA H 0.289 7.829 -1.860 1.00 . A A . 8 LYS HA 1 1
17 3281 1 1 8 LYS HB2 H -0.874 7.940 0.405 1.00 . A A . 8 LYS HB2 1 1
17 3282 1 1 8 LYS HB3 H -0.551 6.227 0.640 1.00 . A A . 8 LYS HB3 1 1
17 3283 1 1 8 LYS HD2 H 0.443 8.446 2.563 1.00 . A A . 8 LYS HD2 1 1
17 3284 1 1 8 LYS HD3 H 0.754 6.714 2.728 1.00 . A A . 8 LYS HD3 1 1
17 3285 1 1 8 LYS HE2 H 3.262 7.148 2.632 1.00 . A A . 8 LYS HE2 1 1
17 3286 1 1 8 LYS HE3 H 2.955 8.884 2.477 1.00 . A A . 8 LYS HE3 1 1
17 3287 1 1 8 LYS HG2 H 1.964 6.746 0.485 1.00 . A A . 8 LYS HG2 1 1
17 3288 1 1 8 LYS HG3 H 1.572 8.456 0.306 1.00 . A A . 8 LYS HG3 1 1
17 3289 1 1 8 LYS HZ1 H 3.372 8.260 4.796 1.00 . A A . 8 LYS HZ1 1 1
17 3290 1 1 8 LYS HZ2 H 1.825 8.816 4.660 1.00 . A A . 8 LYS HZ2 1 1
17 3291 1 1 8 LYS HZ3 H 2.109 7.199 4.803 1.00 . A A . 8 LYS HZ3 1 1
17 3292 1 1 8 LYS N N -1.572 6.838 -1.849 1.00 . A A . 8 LYS N 1 1
17 3293 1 1 8 LYS NZ N 2.459 8.062 4.371 1.00 . A A . 8 LYS NZ 1 1
17 3294 1 1 8 LYS O O 0.177 4.523 -1.683 1.00 . A A . 8 LYS O 1 1
17 3295 1 1 9 LEU C C 3.516 4.084 -1.555 1.00 . A A . 9 LEU C 1 1
17 3296 1 1 9 LEU CA C 2.790 4.767 -2.760 1.00 . A A . 9 LEU CA 1 1
17 3297 1 1 9 LEU CB C 3.799 5.323 -3.818 1.00 . A A . 9 LEU CB 1 1
17 3298 1 1 9 LEU CD1 C 3.914 7.185 -5.579 1.00 . A A . 9 LEU CD1 1 1
17 3299 1 1 9 LEU CD2 C 3.361 4.855 -6.336 1.00 . A A . 9 LEU CD2 1 1
17 3300 1 1 9 LEU CG C 3.231 5.864 -5.173 1.00 . A A . 9 LEU CG 1 1
17 3301 1 1 9 LEU H H 2.166 6.854 -2.386 1.00 . A A . 9 LEU H 1 1
17 3302 1 1 9 LEU HA H 2.172 3.989 -3.254 1.00 . A A . 9 LEU HA 1 1
17 3303 1 1 9 LEU HB2 H 4.395 6.113 -3.318 1.00 . A A . 9 LEU HB2 1 1
17 3304 1 1 9 LEU HB3 H 4.557 4.545 -4.034 1.00 . A A . 9 LEU HB3 1 1
17 3305 1 1 9 LEU HD11 H 5.002 7.061 -5.738 1.00 . A A . 9 LEU HD11 1 1
17 3306 1 1 9 LEU HD12 H 3.490 7.598 -6.514 1.00 . A A . 9 LEU HD12 1 1
17 3307 1 1 9 LEU HD13 H 3.784 7.964 -4.804 1.00 . A A . 9 LEU HD13 1 1
17 3308 1 1 9 LEU HD21 H 4.417 4.616 -6.569 1.00 . A A . 9 LEU HD21 1 1
17 3309 1 1 9 LEU HD22 H 2.848 3.901 -6.121 1.00 . A A . 9 LEU HD22 1 1
17 3310 1 1 9 LEU HD23 H 2.918 5.249 -7.273 1.00 . A A . 9 LEU HD23 1 1
17 3311 1 1 9 LEU HG H 2.155 6.097 -5.053 1.00 . A A . 9 LEU HG 1 1
17 3312 1 1 9 LEU N N 1.895 5.869 -2.304 1.00 . A A . 9 LEU N 1 1
17 3313 1 1 9 LEU O O 4.647 4.422 -1.192 1.00 . A A . 9 LEU O 1 1
17 3314 1 1 10 ILE C C 2.728 0.871 0.005 1.00 . A A . 10 ILE C 1 1
17 3315 1 1 10 ILE CA C 3.301 2.314 0.213 1.00 . A A . 10 ILE CA 1 1
17 3316 1 1 10 ILE CB C 2.989 2.975 1.613 1.00 . A A . 10 ILE CB 1 1
17 3317 1 1 10 ILE CD1 C 0.368 2.841 1.878 1.00 . A A . 10 ILE CD1 1 1
17 3318 1 1 10 ILE CG1 C 1.628 3.713 1.831 1.00 . A A . 10 ILE CG1 1 1
17 3319 1 1 10 ILE CG2 C 4.126 3.935 2.040 1.00 . A A . 10 ILE CG2 1 1
17 3320 1 1 10 ILE H H 1.872 2.977 -1.315 1.00 . A A . 10 ILE H 1 1
17 3321 1 1 10 ILE HA H 4.406 2.217 0.153 1.00 . A A . 10 ILE HA 1 1
17 3322 1 1 10 ILE HB H 3.018 2.155 2.347 1.00 . A A . 10 ILE HB 1 1
17 3323 1 1 10 ILE HD11 H -0.521 3.437 2.153 1.00 . A A . 10 ILE HD11 1 1
17 3324 1 1 10 ILE HD12 H 0.152 2.371 0.903 1.00 . A A . 10 ILE HD12 1 1
17 3325 1 1 10 ILE HD13 H 0.456 2.034 2.629 1.00 . A A . 10 ILE HD13 1 1
17 3326 1 1 10 ILE HG12 H 1.656 4.264 2.791 1.00 . A A . 10 ILE HG12 1 1
17 3327 1 1 10 ILE HG13 H 1.494 4.495 1.063 1.00 . A A . 10 ILE HG13 1 1
17 3328 1 1 10 ILE HG21 H 4.172 4.835 1.398 1.00 . A A . 10 ILE HG21 1 1
17 3329 1 1 10 ILE HG22 H 4.005 4.284 3.082 1.00 . A A . 10 ILE HG22 1 1
17 3330 1 1 10 ILE HG23 H 5.118 3.448 1.990 1.00 . A A . 10 ILE HG23 1 1
17 3331 1 1 10 ILE N N 2.817 3.112 -0.946 1.00 . A A . 10 ILE N 1 1
17 3332 1 1 10 ILE O O 1.789 0.452 0.685 1.00 . A A . 10 ILE O 1 1
17 3333 1 1 11 . C C 2.429 -1.325 -2.785 1.00 . A A . 11 SET C 1 1
17 3334 1 1 11 . CA C 2.836 -1.285 -1.272 1.00 . A A . 11 SET CA 1 1
17 3335 1 1 11 . CB C 3.879 -2.375 -0.861 1.00 . A A . 11 SET CB 1 1
17 3336 1 1 11 . H H 3.951 0.597 -1.557 1.00 . A A . 11 SET H 1 1
17 3337 1 1 11 . HA H 1.895 -1.528 -0.734 1.00 . A A . 11 SET HA 1 1
17 3338 1 1 11 . HB2 H 3.286 -1.028 -3.420 1.00 . A A . 11 SET HB2 1 1
17 3339 1 1 11 . HB3 H 2.208 -2.367 -3.091 1.00 . A A . 11 SET HB3 1 1
17 3340 1 1 11 . HNT2 H 1.370 0.574 -2.975 1.00 . A A . 11 SET HNT2 1 1
17 3341 1 1 11 . N N 3.309 0.096 -0.938 1.00 . A A . 11 SET N 1 1
17 3342 1 1 11 . NT N 1.274 -0.439 -3.092 1.00 . A A . 11 SET NT 1 1
17 3343 1 1 11 . OG O 4.402 -3.096 -1.716 1.00 . A A . 11 SET OG 1 1
17 3344 1 1 12 THR C C 4.624 -5.027 0.966 1.00 . A A . 12 THR C 1 1
17 3345 1 1 12 THR CA C 5.127 -3.541 0.976 1.00 . A A . 12 THR CA 1 1
17 3346 1 1 12 THR CB C 5.706 -3.077 2.349 1.00 . A A . 12 THR CB 1 1
17 3347 1 1 12 THR CG2 C 4.734 -3.045 3.545 1.00 . A A . 12 THR CG2 1 1
17 3348 1 1 12 THR H H 3.840 -1.771 1.074 1.00 . A A . 12 THR H 1 1
17 3349 1 1 12 THR HA H 5.999 -3.525 0.290 1.00 . A A . 12 THR HA 1 1
17 3350 1 1 12 THR HB H 6.107 -2.053 2.226 1.00 . A A . 12 THR HB 1 1
17 3351 1 1 12 THR HG1 H 6.447 -4.791 2.823 1.00 . A A . 12 THR HG1 1 1
17 3352 1 1 12 THR HG21 H 4.323 -4.045 3.775 1.00 . A A . 12 THR HG21 1 1
17 3353 1 1 12 THR HG22 H 5.237 -2.682 4.460 1.00 . A A . 12 THR HG22 1 1
17 3354 1 1 12 THR HG23 H 3.879 -2.371 3.360 1.00 . A A . 12 THR HG23 1 1
17 3355 1 1 12 THR N N 4.161 -2.524 0.455 1.00 . A A . 12 THR N 1 1
17 3356 1 1 12 THR O O 5.429 -5.921 0.692 1.00 . A A . 12 THR O 1 1
17 3357 1 1 12 THR OG1 O 6.805 -3.907 2.708 1.00 . A A . 12 THR OG1 1 1
17 3358 1 1 13 THR C C 1.323 -6.621 0.690 1.00 . A A . 13 THR C 1 1
17 3359 1 1 13 THR CA C 2.763 -6.673 1.291 1.00 . A A . 13 THR CA 1 1
17 3360 1 1 13 THR CB C 2.926 -7.385 2.674 1.00 . A A . 13 THR CB 1 1
17 3361 1 1 13 THR CG2 C 2.191 -6.797 3.897 1.00 . A A . 13 THR CG2 1 1
17 3362 1 1 13 THR H H 2.757 -4.450 1.343 1.00 . A A . 13 THR H 1 1
17 3363 1 1 13 THR HA H 3.352 -7.299 0.588 1.00 . A A . 13 THR HA 1 1
17 3364 1 1 13 THR HB H 4.005 -7.387 2.922 1.00 . A A . 13 THR HB 1 1
17 3365 1 1 13 THR HG1 H 3.099 -9.138 1.887 1.00 . A A . 13 THR HG1 1 1
17 3366 1 1 13 THR HG21 H 2.458 -7.346 4.821 1.00 . A A . 13 THR HG21 1 1
17 3367 1 1 13 THR HG22 H 2.447 -5.736 4.069 1.00 . A A . 13 THR HG22 1 1
17 3368 1 1 13 THR HG23 H 1.092 -6.865 3.803 1.00 . A A . 13 THR HG23 1 1
17 3369 1 1 13 THR N N 3.341 -5.293 1.290 1.00 . A A . 13 THR N 1 1
17 3370 1 1 13 THR O O 0.316 -6.744 1.396 1.00 . A A . 13 THR O 1 1
17 3371 1 1 13 THR OG1 O 2.526 -8.746 2.550 1.00 . A A . 13 THR OG1 1 1
17 3372 1 1 14 ALA C C -0.553 -7.739 -1.822 1.00 . A A . 14 ALA C 1 1
17 3373 1 1 14 ALA CA C -0.048 -6.349 -1.374 1.00 . A A . 14 ALA CA 1 1
17 3374 1 1 14 ALA CB C 0.171 -5.366 -2.540 1.00 . A A . 14 ALA CB 1 1
17 3375 1 1 14 ALA H H 2.139 -6.348 -1.125 1.00 . A A . 14 ALA H 1 1
17 3376 1 1 14 ALA HXT H -1.275 -7.864 -0.015 1.00 . A A . 14 ALA HXT 1 1
17 3377 1 1 14 ALA HA H -0.822 -5.895 -0.722 1.00 . A A . 14 ALA HA 1 1
17 3378 1 1 14 ALA HB1 H 0.513 -4.376 -2.183 1.00 . A A . 14 ALA HB1 1 1
17 3379 1 1 14 ALA HB2 H 0.924 -5.730 -3.265 1.00 . A A . 14 ALA HB2 1 1
17 3380 1 1 14 ALA HB3 H -0.760 -5.189 -3.107 1.00 . A A . 14 ALA HB3 1 1
17 3381 1 1 14 ALA N N 1.238 -6.448 -0.645 1.00 . A A . 14 ALA N 1 1
17 3382 1 1 14 ALA O O -0.353 -8.225 -2.936 1.00 . A A . 14 ALA O 1 1
17 3383 1 1 14 ALA OXT O -1.254 -8.375 -0.828 1.00 . A A . 14 ALA OXT 1 1
18 3384 1 1 1 ACE C C -8.534 -6.784 -0.373 1.00 . A A . 1 ACE C 1 1
18 3385 1 1 1 ACE CH3 C -9.968 -7.049 0.076 1.00 . A A . 1 ACE CH3 1 1
18 3386 1 1 1 ACE H1 H -10.063 -7.005 1.177 1.00 . A A . 1 ACE H1 1 1
18 3387 1 1 1 ACE H2 H -10.671 -6.314 -0.358 1.00 . A A . 1 ACE H2 1 1
18 3388 1 1 1 ACE H3 H -10.305 -8.052 -0.242 1.00 . A A . 1 ACE H3 1 1
18 3389 1 1 1 ACE O O -7.906 -7.643 -0.995 1.00 . A A . 1 ACE O 1 1
18 3390 1 1 2 ILE C C -5.828 -5.057 0.933 1.00 . A A . 2 ILE C 1 1
18 3391 1 1 2 ILE CA C -6.660 -5.133 -0.391 1.00 . A A . 2 ILE CA 1 1
18 3392 1 1 2 ILE CB C -6.652 -3.771 -1.183 1.00 . A A . 2 ILE CB 1 1
18 3393 1 1 2 ILE CD1 C -7.351 -4.707 -3.553 1.00 . A A . 2 ILE CD1 1 1
18 3394 1 1 2 ILE CG1 C -7.606 -3.698 -2.418 1.00 . A A . 2 ILE CG1 1 1
18 3395 1 1 2 ILE CG2 C -5.238 -3.291 -1.611 1.00 . A A . 2 ILE CG2 1 1
18 3396 1 1 2 ILE H H -8.679 -5.002 0.514 1.00 . A A . 2 ILE H 1 1
18 3397 1 1 2 ILE HA H -6.206 -5.886 -1.064 1.00 . A A . 2 ILE HA 1 1
18 3398 1 1 2 ILE HB H -7.007 -3.005 -0.471 1.00 . A A . 2 ILE HB 1 1
18 3399 1 1 2 ILE HD11 H -8.081 -4.577 -4.372 1.00 . A A . 2 ILE HD11 1 1
18 3400 1 1 2 ILE HD12 H -6.344 -4.589 -3.993 1.00 . A A . 2 ILE HD12 1 1
18 3401 1 1 2 ILE HD13 H -7.440 -5.752 -3.202 1.00 . A A . 2 ILE HD13 1 1
18 3402 1 1 2 ILE HG12 H -8.651 -3.819 -2.077 1.00 . A A . 2 ILE HG12 1 1
18 3403 1 1 2 ILE HG13 H -7.582 -2.676 -2.843 1.00 . A A . 2 ILE HG13 1 1
18 3404 1 1 2 ILE HG21 H -5.274 -2.333 -2.165 1.00 . A A . 2 ILE HG21 1 1
18 3405 1 1 2 ILE HG22 H -4.579 -3.111 -0.742 1.00 . A A . 2 ILE HG22 1 1
18 3406 1 1 2 ILE HG23 H -4.727 -4.025 -2.260 1.00 . A A . 2 ILE HG23 1 1
18 3407 1 1 2 ILE N N -8.043 -5.581 -0.043 1.00 . A A . 2 ILE N 1 1
18 3408 1 1 2 ILE O O -6.324 -4.627 1.981 1.00 . A A . 2 ILE O 1 1
18 3409 1 1 3 TRP C C -3.413 -4.055 2.787 1.00 . A A . 3 TRP C 1 1
18 3410 1 1 3 TRP CA C -3.601 -5.413 2.029 1.00 . A A . 3 TRP CA 1 1
18 3411 1 1 3 TRP CB C -2.251 -6.127 1.701 1.00 . A A . 3 TRP CB 1 1
18 3412 1 1 3 TRP CD1 C -1.028 -5.658 -0.591 1.00 . A A . 3 TRP CD1 1 1
18 3413 1 1 3 TRP CD2 C -0.255 -4.484 1.136 1.00 . A A . 3 TRP CD2 1 1
18 3414 1 1 3 TRP CE2 C 0.491 -4.170 -0.029 1.00 . A A . 3 TRP CE2 1 1
18 3415 1 1 3 TRP CE3 C 0.098 -3.909 2.386 1.00 . A A . 3 TRP CE3 1 1
18 3416 1 1 3 TRP CG C -1.231 -5.412 0.786 1.00 . A A . 3 TRP CG 1 1
18 3417 1 1 3 TRP CH2 C 1.911 -2.718 1.282 1.00 . A A . 3 TRP CH2 1 1
18 3418 1 1 3 TRP CZ2 C 1.593 -3.290 0.049 1.00 . A A . 3 TRP CZ2 1 1
18 3419 1 1 3 TRP CZ3 C 1.173 -3.020 2.432 1.00 . A A . 3 TRP CZ3 1 1
18 3420 1 1 3 TRP H H -4.270 -5.765 -0.079 1.00 . A A . 3 TRP H 1 1
18 3421 1 1 3 TRP HA H -4.083 -6.052 2.779 1.00 . A A . 3 TRP HA 1 1
18 3422 1 1 3 TRP HB2 H -1.742 -6.355 2.657 1.00 . A A . 3 TRP HB2 1 1
18 3423 1 1 3 TRP HB3 H -2.465 -7.129 1.283 1.00 . A A . 3 TRP HB3 1 1
18 3424 1 1 3 TRP HD1 H -1.540 -6.414 -1.165 1.00 . A A . 3 TRP HD1 1 1
18 3425 1 1 3 TRP HE1 H 0.393 -4.883 -2.073 1.00 . A A . 3 TRP HE1 1 1
18 3426 1 1 3 TRP HE3 H -0.450 -4.149 3.285 1.00 . A A . 3 TRP HE3 1 1
18 3427 1 1 3 TRP HH2 H 2.752 -2.045 1.357 1.00 . A A . 3 TRP HH2 1 1
18 3428 1 1 3 TRP HZ2 H 2.186 -3.078 -0.828 1.00 . A A . 3 TRP HZ2 1 1
18 3429 1 1 3 TRP HZ3 H 1.449 -2.570 3.374 1.00 . A A . 3 TRP HZ3 1 1
18 3430 1 1 3 TRP N N -4.537 -5.438 0.856 1.00 . A A . 3 TRP N 1 1
18 3431 1 1 3 TRP NE1 N 0.019 -4.881 -1.117 1.00 . A A . 3 TRP NE1 1 1
18 3432 1 1 3 TRP O O -3.419 -4.010 4.020 1.00 . A A . 3 TRP O 1 1
18 3433 1 1 4 GLY C C -2.274 -0.755 1.481 1.00 . A A . 4 GLY C 1 1
18 3434 1 1 4 GLY CA C -3.032 -1.610 2.521 1.00 . A A . 4 GLY CA 1 1
18 3435 1 1 4 GLY H H -3.259 -3.237 1.026 1.00 . A A . 4 GLY H 1 1
18 3436 1 1 4 GLY HA2 H -4.003 -1.146 2.780 1.00 . A A . 4 GLY HA2 1 1
18 3437 1 1 4 GLY HA3 H -2.456 -1.627 3.470 1.00 . A A . 4 GLY HA3 1 1
18 3438 1 1 4 GLY N N -3.237 -2.984 2.015 1.00 . A A . 4 GLY N 1 1
18 3439 1 1 4 GLY O O -1.170 -0.294 1.780 1.00 . A A . 4 GLY O 1 1
18 3440 1 1 5 GLU C C -3.340 0.751 -1.746 1.00 . A A . 5 GLU C 1 1
18 3441 1 1 5 GLU CA C -2.205 0.248 -0.811 1.00 . A A . 5 GLU CA 1 1
18 3442 1 1 5 GLU CB C -1.124 -0.620 -1.518 1.00 . A A . 5 GLU CB 1 1
18 3443 1 1 5 GLU CD C 0.996 -0.689 -2.965 1.00 . A A . 5 GLU CD 1 1
18 3444 1 1 5 GLU CG C -0.324 0.052 -2.661 1.00 . A A . 5 GLU CG 1 1
18 3445 1 1 5 GLU H H -3.744 -1.016 0.104 1.00 . A A . 5 GLU H 1 1
18 3446 1 1 5 GLU HA H -1.688 1.124 -0.368 1.00 . A A . 5 GLU HA 1 1
18 3447 1 1 5 GLU HB2 H -0.405 -0.951 -0.742 1.00 . A A . 5 GLU HB2 1 1
18 3448 1 1 5 GLU HB3 H -1.579 -1.552 -1.904 1.00 . A A . 5 GLU HB3 1 1
18 3449 1 1 5 GLU HG2 H -0.940 0.088 -3.579 1.00 . A A . 5 GLU HG2 1 1
18 3450 1 1 5 GLU HG3 H -0.134 1.111 -2.395 1.00 . A A . 5 GLU HG3 1 1
18 3451 1 1 5 GLU N N -2.847 -0.546 0.272 1.00 . A A . 5 GLU N 1 1
18 3452 1 1 5 GLU O O -3.709 0.085 -2.719 1.00 . A A . 5 GLU O 1 1
18 3453 1 1 5 GLU OE1 O 1.024 -1.920 -3.056 1.00 . A A . 5 GLU OE1 1 1
18 3454 1 1 6 SER C C -4.894 4.092 -2.002 1.00 . A A . 6 SER C 1 1
18 3455 1 1 6 SER CA C -4.998 2.556 -2.203 1.00 . A A . 6 SER CA 1 1
18 3456 1 1 6 SER CB C -6.371 1.978 -1.777 1.00 . A A . 6 SER CB 1 1
18 3457 1 1 6 SER H H -3.523 2.368 -0.572 1.00 . A A . 6 SER H 1 1
18 3458 1 1 6 SER HA H -4.867 2.319 -3.279 1.00 . A A . 6 SER HA 1 1
18 3459 1 1 6 SER HB2 H -6.383 0.878 -1.902 1.00 . A A . 6 SER HB2 1 1
18 3460 1 1 6 SER HB3 H -6.572 2.163 -0.704 1.00 . A A . 6 SER HB3 1 1
18 3461 1 1 6 SER HG H -7.451 3.470 -2.346 1.00 . A A . 6 SER HG 1 1
18 3462 1 1 6 SER N N -3.902 1.930 -1.418 1.00 . A A . 6 SER N 1 1
18 3463 1 1 6 SER O O -5.377 4.633 -1.000 1.00 . A A . 6 SER O 1 1
18 3464 1 1 6 SER OG O -7.422 2.534 -2.560 1.00 . A A . 6 SER OG 1 1
18 3465 1 1 7 GLY C C -2.639 6.668 -2.489 1.00 . A A . 7 GLY C 1 1
18 3466 1 1 7 GLY CA C -4.066 6.255 -2.897 1.00 . A A . 7 GLY CA 1 1
18 3467 1 1 7 GLY H H -3.795 4.195 -3.670 1.00 . A A . 7 GLY H 1 1
18 3468 1 1 7 GLY HA2 H -4.283 6.672 -3.898 1.00 . A A . 7 GLY HA2 1 1
18 3469 1 1 7 GLY HA3 H -4.805 6.743 -2.231 1.00 . A A . 7 GLY HA3 1 1
18 3470 1 1 7 GLY N N -4.250 4.782 -2.960 1.00 . A A . 7 GLY N 1 1
18 3471 1 1 7 GLY O O -1.889 7.189 -3.318 1.00 . A A . 7 GLY O 1 1
18 3472 1 1 8 LYS C C 0.143 5.767 -1.203 1.00 . A A . 8 LYS C 1 1
18 3473 1 1 8 LYS CA C -0.931 6.769 -0.671 1.00 . A A . 8 LYS CA 1 1
18 3474 1 1 8 LYS CB C -1.024 6.768 0.880 1.00 . A A . 8 LYS CB 1 1
18 3475 1 1 8 LYS CD C 0.086 7.265 3.146 1.00 . A A . 8 LYS CD 1 1
18 3476 1 1 8 LYS CE C 1.339 7.794 3.867 1.00 . A A . 8 LYS CE 1 1
18 3477 1 1 8 LYS CG C 0.216 7.334 1.611 1.00 . A A . 8 LYS CG 1 1
18 3478 1 1 8 LYS H H -2.998 5.980 -0.642 1.00 . A A . 8 LYS H 1 1
18 3479 1 1 8 LYS HA H -0.681 7.802 -0.991 1.00 . A A . 8 LYS HA 1 1
18 3480 1 1 8 LYS HB2 H -1.903 7.363 1.199 1.00 . A A . 8 LYS HB2 1 1
18 3481 1 1 8 LYS HB3 H -1.227 5.739 1.239 1.00 . A A . 8 LYS HB3 1 1
18 3482 1 1 8 LYS HD2 H -0.806 7.840 3.465 1.00 . A A . 8 LYS HD2 1 1
18 3483 1 1 8 LYS HD3 H -0.106 6.217 3.448 1.00 . A A . 8 LYS HD3 1 1
18 3484 1 1 8 LYS HE2 H 2.236 7.227 3.547 1.00 . A A . 8 LYS HE2 1 1
18 3485 1 1 8 LYS HE3 H 1.530 8.848 3.585 1.00 . A A . 8 LYS HE3 1 1
18 3486 1 1 8 LYS HG2 H 1.120 6.779 1.297 1.00 . A A . 8 LYS HG2 1 1
18 3487 1 1 8 LYS HG3 H 0.383 8.382 1.295 1.00 . A A . 8 LYS HG3 1 1
18 3488 1 1 8 LYS HZ1 H 1.047 6.723 5.637 1.00 . A A . 8 LYS HZ1 1 1
18 3489 1 1 8 LYS HZ2 H 2.016 8.044 5.832 1.00 . A A . 8 LYS HZ2 1 1
18 3490 1 1 8 LYS HZ3 H 0.384 8.231 5.673 1.00 . A A . 8 LYS HZ3 1 1
18 3491 1 1 8 LYS N N -2.279 6.440 -1.211 1.00 . A A . 8 LYS N 1 1
18 3492 1 1 8 LYS NZ N 1.190 7.693 5.333 1.00 . A A . 8 LYS NZ 1 1
18 3493 1 1 8 LYS O O -0.075 4.550 -1.210 1.00 . A A . 8 LYS O 1 1
18 3494 1 1 9 LEU C C 3.283 4.859 -1.013 1.00 . A A . 9 LEU C 1 1
18 3495 1 1 9 LEU CA C 2.426 5.477 -2.167 1.00 . A A . 9 LEU CA 1 1
18 3496 1 1 9 LEU CB C 3.297 6.326 -3.152 1.00 . A A . 9 LEU CB 1 1
18 3497 1 1 9 LEU CD1 C 1.517 7.597 -4.583 1.00 . A A . 9 LEU CD1 1 1
18 3498 1 1 9 LEU CD2 C 3.882 7.380 -5.386 1.00 . A A . 9 LEU CD2 1 1
18 3499 1 1 9 LEU CG C 2.765 6.692 -4.575 1.00 . A A . 9 LEU CG 1 1
18 3500 1 1 9 LEU H H 1.358 7.322 -1.585 1.00 . A A . 9 LEU H 1 1
18 3501 1 1 9 LEU HA H 2.003 4.631 -2.747 1.00 . A A . 9 LEU HA 1 1
18 3502 1 1 9 LEU HB2 H 3.626 7.251 -2.638 1.00 . A A . 9 LEU HB2 1 1
18 3503 1 1 9 LEU HB3 H 4.238 5.765 -3.312 1.00 . A A . 9 LEU HB3 1 1
18 3504 1 1 9 LEU HD11 H 1.672 8.529 -4.009 1.00 . A A . 9 LEU HD11 1 1
18 3505 1 1 9 LEU HD12 H 1.224 7.889 -5.610 1.00 . A A . 9 LEU HD12 1 1
18 3506 1 1 9 LEU HD13 H 0.639 7.084 -4.152 1.00 . A A . 9 LEU HD13 1 1
18 3507 1 1 9 LEU HD21 H 4.204 8.335 -4.929 1.00 . A A . 9 LEU HD21 1 1
18 3508 1 1 9 LEU HD22 H 4.781 6.740 -5.470 1.00 . A A . 9 LEU HD22 1 1
18 3509 1 1 9 LEU HD23 H 3.561 7.605 -6.421 1.00 . A A . 9 LEU HD23 1 1
18 3510 1 1 9 LEU HG H 2.513 5.767 -5.128 1.00 . A A . 9 LEU HG 1 1
18 3511 1 1 9 LEU N N 1.310 6.298 -1.620 1.00 . A A . 9 LEU N 1 1
18 3512 1 1 9 LEU O O 4.315 5.401 -0.605 1.00 . A A . 9 LEU O 1 1
18 3513 1 1 10 ILE C C 3.338 1.415 0.245 1.00 . A A . 10 ILE C 1 1
18 3514 1 1 10 ILE CA C 3.478 2.938 0.591 1.00 . A A . 10 ILE CA 1 1
18 3515 1 1 10 ILE CB C 2.977 3.356 2.030 1.00 . A A . 10 ILE CB 1 1
18 3516 1 1 10 ILE CD1 C 0.533 2.378 2.218 1.00 . A A . 10 ILE CD1 1 1
18 3517 1 1 10 ILE CG1 C 1.452 3.605 2.267 1.00 . A A . 10 ILE CG1 1 1
18 3518 1 1 10 ILE CG2 C 3.758 4.587 2.552 1.00 . A A . 10 ILE CG2 1 1
18 3519 1 1 10 ILE H H 1.905 3.418 -0.866 1.00 . A A . 10 ILE H 1 1
18 3520 1 1 10 ILE HA H 4.570 3.131 0.564 1.00 . A A . 10 ILE HA 1 1
18 3521 1 1 10 ILE HB H 3.265 2.531 2.702 1.00 . A A . 10 ILE HB 1 1
18 3522 1 1 10 ILE HD11 H -0.502 2.640 2.508 1.00 . A A . 10 ILE HD11 1 1
18 3523 1 1 10 ILE HD12 H 0.480 1.938 1.207 1.00 . A A . 10 ILE HD12 1 1
18 3524 1 1 10 ILE HD13 H 0.868 1.584 2.913 1.00 . A A . 10 ILE HD13 1 1
18 3525 1 1 10 ILE HG12 H 1.305 4.060 3.266 1.00 . A A . 10 ILE HG12 1 1
18 3526 1 1 10 ILE HG13 H 1.076 4.364 1.557 1.00 . A A . 10 ILE HG13 1 1
18 3527 1 1 10 ILE HG21 H 3.517 5.503 1.981 1.00 . A A . 10 ILE HG21 1 1
18 3528 1 1 10 ILE HG22 H 3.535 4.797 3.615 1.00 . A A . 10 ILE HG22 1 1
18 3529 1 1 10 ILE HG23 H 4.852 4.441 2.487 1.00 . A A . 10 ILE HG23 1 1
18 3530 1 1 10 ILE N N 2.815 3.708 -0.499 1.00 . A A . 10 ILE N 1 1
18 3531 1 1 10 ILE O O 2.711 0.646 0.979 1.00 . A A . 10 ILE O 1 1
18 3532 1 1 11 . C C 3.460 -0.467 -2.838 1.00 . A A . 11 SET C 1 1
18 3533 1 1 11 . CA C 3.893 -0.448 -1.335 1.00 . A A . 11 SET CA 1 1
18 3534 1 1 11 . CB C 5.215 -1.226 -1.041 1.00 . A A . 11 SET CB 1 1
18 3535 1 1 11 . H H 4.423 1.696 -1.426 1.00 . A A . 11 SET H 1 1
18 3536 1 1 11 . HA H 3.067 -0.981 -0.824 1.00 . A A . 11 SET HA 1 1
18 3537 1 1 11 . HB2 H 4.175 0.115 -3.450 1.00 . A A . 11 SET HB2 1 1
18 3538 1 1 11 . HB3 H 3.529 -1.498 -3.239 1.00 . A A . 11 SET HB3 1 1
18 3539 1 1 11 . HNT2 H 1.906 1.079 -2.938 1.00 . A A . 11 SET HNT2 1 1
18 3540 1 1 11 . N N 3.974 0.967 -0.862 1.00 . A A . 11 SET N 1 1
18 3541 1 1 11 . NT N 2.092 0.077 -3.051 1.00 . A A . 11 SET NT 1 1
18 3542 1 1 11 . OG O 5.930 -1.620 -1.969 1.00 . A A . 11 SET OG 1 1
18 3543 1 1 12 THR C C 6.647 -3.766 0.589 1.00 . A A . 12 THR C 1 1
18 3544 1 1 12 THR CA C 6.766 -2.208 0.664 1.00 . A A . 12 THR CA 1 1
18 3545 1 1 12 THR CB C 7.302 -1.645 2.018 1.00 . A A . 12 THR CB 1 1
18 3546 1 1 12 THR CG2 C 6.418 -1.830 3.268 1.00 . A A . 12 THR CG2 1 1
18 3547 1 1 12 THR H H 5.000 -0.959 0.962 1.00 . A A . 12 THR H 1 1
18 3548 1 1 12 THR HA H 7.561 -1.944 -0.062 1.00 . A A . 12 THR HA 1 1
18 3549 1 1 12 THR HB H 7.459 -0.555 1.892 1.00 . A A . 12 THR HB 1 1
18 3550 1 1 12 THR HG1 H 8.851 -1.850 3.144 1.00 . A A . 12 THR HG1 1 1
18 3551 1 1 12 THR HG21 H 6.291 -2.896 3.531 1.00 . A A . 12 THR HG21 1 1
18 3552 1 1 12 THR HG22 H 6.861 -1.332 4.150 1.00 . A A . 12 THR HG22 1 1
18 3553 1 1 12 THR HG23 H 5.409 -1.400 3.128 1.00 . A A . 12 THR HG23 1 1
18 3554 1 1 12 THR N N 5.534 -1.473 0.252 1.00 . A A . 12 THR N 1 1
18 3555 1 1 12 THR O O 7.502 -4.395 -0.040 1.00 . A A . 12 THR O 1 1
18 3556 1 1 12 THR OG1 O 8.575 -2.217 2.300 1.00 . A A . 12 THR OG1 1 1
18 3557 1 1 13 THR C C 3.927 -6.219 1.395 1.00 . A A . 13 THR C 1 1
18 3558 1 1 13 THR CA C 5.435 -5.866 1.211 1.00 . A A . 13 THR CA 1 1
18 3559 1 1 13 THR CB C 6.377 -6.601 2.222 1.00 . A A . 13 THR CB 1 1
18 3560 1 1 13 THR CG2 C 6.115 -6.382 3.725 1.00 . A A . 13 THR CG2 1 1
18 3561 1 1 13 THR H H 4.935 -3.747 1.632 1.00 . A A . 13 THR H 1 1
18 3562 1 1 13 THR HA H 5.735 -6.221 0.203 1.00 . A A . 13 THR HA 1 1
18 3563 1 1 13 THR HB H 7.415 -6.277 2.020 1.00 . A A . 13 THR HB 1 1
18 3564 1 1 13 THR HG1 H 6.903 -8.407 2.628 1.00 . A A . 13 THR HG1 1 1
18 3565 1 1 13 THR HG21 H 6.861 -6.914 4.346 1.00 . A A . 13 THR HG21 1 1
18 3566 1 1 13 THR HG22 H 6.169 -5.314 4.001 1.00 . A A . 13 THR HG22 1 1
18 3567 1 1 13 THR HG23 H 5.119 -6.754 4.031 1.00 . A A . 13 THR HG23 1 1
18 3568 1 1 13 THR N N 5.626 -4.385 1.222 1.00 . A A . 13 THR N 1 1
18 3569 1 1 13 THR O O 3.224 -5.620 2.217 1.00 . A A . 13 THR O 1 1
18 3570 1 1 13 THR OG1 O 6.326 -8.003 1.977 1.00 . A A . 13 THR OG1 1 1
18 3571 1 1 14 ALA C C 1.791 -8.633 1.910 1.00 . A A . 14 ALA C 1 1
18 3572 1 1 14 ALA CA C 2.040 -7.689 0.710 1.00 . A A . 14 ALA CA 1 1
18 3573 1 1 14 ALA CB C 1.669 -8.324 -0.643 1.00 . A A . 14 ALA CB 1 1
18 3574 1 1 14 ALA H H 4.137 -7.679 0.031 1.00 . A A . 14 ALA H 1 1
18 3575 1 1 14 ALA HXT H 1.468 -6.989 2.899 1.00 . A A . 14 ALA HXT 1 1
18 3576 1 1 14 ALA HA H 1.379 -6.812 0.830 1.00 . A A . 14 ALA HA 1 1
18 3577 1 1 14 ALA HB1 H 1.798 -7.612 -1.480 1.00 . A A . 14 ALA HB1 1 1
18 3578 1 1 14 ALA HB2 H 2.280 -9.218 -0.871 1.00 . A A . 14 ALA HB2 1 1
18 3579 1 1 14 ALA HB3 H 0.609 -8.642 -0.661 1.00 . A A . 14 ALA HB3 1 1
18 3580 1 1 14 ALA N N 3.449 -7.234 0.648 1.00 . A A . 14 ALA N 1 1
18 3581 1 1 14 ALA O O 1.898 -9.859 1.863 1.00 . A A . 14 ALA O 1 1
18 3582 1 1 14 ALA OXT O 1.444 -7.938 3.042 1.00 . A A . 14 ALA OXT 1 1
19 3583 1 1 1 ACE C C -8.863 -6.418 -3.338 1.00 . A A . 1 ACE C 1 1
19 3584 1 1 1 ACE CH3 C -10.319 -6.707 -3.690 1.00 . A A . 1 ACE CH3 1 1
19 3585 1 1 1 ACE H1 H -10.930 -6.877 -2.784 1.00 . A A . 1 ACE H1 1 1
19 3586 1 1 1 ACE H2 H -10.773 -5.873 -4.257 1.00 . A A . 1 ACE H2 1 1
19 3587 1 1 1 ACE H3 H -10.404 -7.614 -4.317 1.00 . A A . 1 ACE H3 1 1
19 3588 1 1 1 ACE O O -7.964 -7.153 -3.751 1.00 . A A . 1 ACE O 1 1
19 3589 1 1 2 ILE C C -7.223 -5.092 -0.573 1.00 . A A . 2 ILE C 1 1
19 3590 1 1 2 ILE CA C -7.310 -4.885 -2.122 1.00 . A A . 2 ILE CA 1 1
19 3591 1 1 2 ILE CB C -6.999 -3.400 -2.549 1.00 . A A . 2 ILE CB 1 1
19 3592 1 1 2 ILE CD1 C -6.380 -3.855 -5.077 1.00 . A A . 2 ILE CD1 1 1
19 3593 1 1 2 ILE CG1 C -7.227 -3.069 -4.059 1.00 . A A . 2 ILE CG1 1 1
19 3594 1 1 2 ILE CG2 C -5.590 -2.897 -2.132 1.00 . A A . 2 ILE CG2 1 1
19 3595 1 1 2 ILE H H -9.522 -4.858 -2.281 1.00 . A A . 2 ILE H 1 1
19 3596 1 1 2 ILE HA H -6.547 -5.515 -2.616 1.00 . A A . 2 ILE HA 1 1
19 3597 1 1 2 ILE HB H -7.704 -2.768 -1.982 1.00 . A A . 2 ILE HB 1 1
19 3598 1 1 2 ILE HD11 H -5.297 -3.687 -4.933 1.00 . A A . 2 ILE HD11 1 1
19 3599 1 1 2 ILE HD12 H -6.560 -4.944 -5.009 1.00 . A A . 2 ILE HD12 1 1
19 3600 1 1 2 ILE HD13 H -6.620 -3.552 -6.112 1.00 . A A . 2 ILE HD13 1 1
19 3601 1 1 2 ILE HG12 H -8.294 -3.219 -4.307 1.00 . A A . 2 ILE HG12 1 1
19 3602 1 1 2 ILE HG13 H -7.065 -1.987 -4.227 1.00 . A A . 2 ILE HG13 1 1
19 3603 1 1 2 ILE HG21 H -5.409 -1.854 -2.455 1.00 . A A . 2 ILE HG21 1 1
19 3604 1 1 2 ILE HG22 H -5.456 -2.900 -1.035 1.00 . A A . 2 ILE HG22 1 1
19 3605 1 1 2 ILE HG23 H -4.782 -3.518 -2.560 1.00 . A A . 2 ILE HG23 1 1
19 3606 1 1 2 ILE N N -8.663 -5.334 -2.575 1.00 . A A . 2 ILE N 1 1
19 3607 1 1 2 ILE O O -8.188 -4.853 0.163 1.00 . A A . 2 ILE O 1 1
19 3608 1 1 3 TRP C C -6.063 -4.543 2.363 1.00 . A A . 3 TRP C 1 1
19 3609 1 1 3 TRP CA C -5.782 -5.727 1.378 1.00 . A A . 3 TRP CA 1 1
19 3610 1 1 3 TRP CB C -4.410 -6.431 1.627 1.00 . A A . 3 TRP CB 1 1
19 3611 1 1 3 TRP CD1 C -2.270 -5.742 0.252 1.00 . A A . 3 TRP CD1 1 1
19 3612 1 1 3 TRP CD2 C -2.436 -4.783 2.253 1.00 . A A . 3 TRP CD2 1 1
19 3613 1 1 3 TRP CE2 C -1.247 -4.352 1.612 1.00 . A A . 3 TRP CE2 1 1
19 3614 1 1 3 TRP CE3 C -2.720 -4.371 3.583 1.00 . A A . 3 TRP CE3 1 1
19 3615 1 1 3 TRP CG C -3.105 -5.641 1.389 1.00 . A A . 3 TRP CG 1 1
19 3616 1 1 3 TRP CH2 C -0.638 -3.109 3.595 1.00 . A A . 3 TRP CH2 1 1
19 3617 1 1 3 TRP CZ2 C -0.333 -3.517 2.296 1.00 . A A . 3 TRP CZ2 1 1
19 3618 1 1 3 TRP CZ3 C -1.815 -3.526 4.227 1.00 . A A . 3 TRP CZ3 1 1
19 3619 1 1 3 TRP H H -5.328 -5.642 -0.814 1.00 . A A . 3 TRP H 1 1
19 3620 1 1 3 TRP HA H -6.532 -6.471 1.671 1.00 . A A . 3 TRP HA 1 1
19 3621 1 1 3 TRP HB2 H -4.396 -6.798 2.671 1.00 . A A . 3 TRP HB2 1 1
19 3622 1 1 3 TRP HB3 H -4.376 -7.361 1.028 1.00 . A A . 3 TRP HB3 1 1
19 3623 1 1 3 TRP HD1 H -2.424 -6.425 -0.569 1.00 . A A . 3 TRP HD1 1 1
19 3624 1 1 3 TRP HE1 H -0.346 -4.846 -0.298 1.00 . A A . 3 TRP HE1 1 1
19 3625 1 1 3 TRP HE3 H -3.613 -4.703 4.092 1.00 . A A . 3 TRP HE3 1 1
19 3626 1 1 3 TRP HH2 H 0.052 -2.465 4.122 1.00 . A A . 3 TRP HH2 1 1
19 3627 1 1 3 TRP HZ2 H 0.591 -3.210 1.828 1.00 . A A . 3 TRP HZ2 1 1
19 3628 1 1 3 TRP HZ3 H -2.021 -3.199 5.236 1.00 . A A . 3 TRP HZ3 1 1
19 3629 1 1 3 TRP N N -6.034 -5.496 -0.084 1.00 . A A . 3 TRP N 1 1
19 3630 1 1 3 TRP NE1 N -1.129 -4.928 0.361 1.00 . A A . 3 TRP NE1 1 1
19 3631 1 1 3 TRP O O -6.664 -4.734 3.424 1.00 . A A . 3 TRP O 1 1
19 3632 1 1 4 GLY C C -4.656 -1.075 2.479 1.00 . A A . 4 GLY C 1 1
19 3633 1 1 4 GLY CA C -5.772 -2.104 2.772 1.00 . A A . 4 GLY CA 1 1
19 3634 1 1 4 GLY H H -5.126 -3.409 1.088 1.00 . A A . 4 GLY H 1 1
19 3635 1 1 4 GLY HA2 H -6.764 -1.658 2.571 1.00 . A A . 4 GLY HA2 1 1
19 3636 1 1 4 GLY HA3 H -5.775 -2.330 3.859 1.00 . A A . 4 GLY HA3 1 1
19 3637 1 1 4 GLY N N -5.609 -3.349 1.986 1.00 . A A . 4 GLY N 1 1
19 3638 1 1 4 GLY O O -3.992 -0.631 3.420 1.00 . A A . 4 GLY O 1 1
19 3639 1 1 5 GLU C C -3.793 0.817 -0.611 1.00 . A A . 5 GLU C 1 1
19 3640 1 1 5 GLU CA C -3.398 0.284 0.796 1.00 . A A . 5 GLU CA 1 1
19 3641 1 1 5 GLU CB C -2.001 -0.403 0.832 1.00 . A A . 5 GLU CB 1 1
19 3642 1 1 5 GLU CD C 0.551 -0.207 0.792 1.00 . A A . 5 GLU CD 1 1
19 3643 1 1 5 GLU CG C -0.786 0.512 0.540 1.00 . A A . 5 GLU CG 1 1
19 3644 1 1 5 GLU H H -5.038 -1.141 0.490 1.00 . A A . 5 GLU H 1 1
19 3645 1 1 5 GLU HA H -3.382 1.122 1.522 1.00 . A A . 5 GLU HA 1 1
19 3646 1 1 5 GLU HB2 H -1.863 -0.845 1.839 1.00 . A A . 5 GLU HB2 1 1
19 3647 1 1 5 GLU HB3 H -1.991 -1.271 0.144 1.00 . A A . 5 GLU HB3 1 1
19 3648 1 1 5 GLU HG2 H -0.847 0.908 -0.493 1.00 . A A . 5 GLU HG2 1 1
19 3649 1 1 5 GLU HG3 H -0.824 1.402 1.195 1.00 . A A . 5 GLU HG3 1 1
19 3650 1 1 5 GLU N N -4.450 -0.687 1.198 1.00 . A A . 5 GLU N 1 1
19 3651 1 1 5 GLU O O -3.562 0.149 -1.625 1.00 . A A . 5 GLU O 1 1
19 3652 1 1 5 GLU OE1 O 0.847 -0.532 1.944 1.00 . A A . 5 GLU OE1 1 1
19 3653 1 1 6 SER C C -4.662 4.193 -1.809 1.00 . A A . 6 SER C 1 1
19 3654 1 1 6 SER CA C -4.842 2.654 -1.929 1.00 . A A . 6 SER CA 1 1
19 3655 1 1 6 SER CB C -6.301 2.241 -2.244 1.00 . A A . 6 SER CB 1 1
19 3656 1 1 6 SER H H -4.557 2.462 0.253 1.00 . A A . 6 SER H 1 1
19 3657 1 1 6 SER HA H -4.221 2.282 -2.770 1.00 . A A . 6 SER HA 1 1
19 3658 1 1 6 SER HB2 H -6.391 1.138 -2.282 1.00 . A A . 6 SER HB2 1 1
19 3659 1 1 6 SER HB3 H -6.996 2.575 -1.448 1.00 . A A . 6 SER HB3 1 1
19 3660 1 1 6 SER HG H -6.738 3.728 -3.392 1.00 . A A . 6 SER HG 1 1
19 3661 1 1 6 SER N N -4.402 2.018 -0.658 1.00 . A A . 6 SER N 1 1
19 3662 1 1 6 SER O O -5.466 4.878 -1.168 1.00 . A A . 6 SER O 1 1
19 3663 1 1 6 SER OG O -6.723 2.773 -3.496 1.00 . A A . 6 SER OG 1 1
19 3664 1 1 7 GLY C C -1.804 6.407 -2.718 1.00 . A A . 7 GLY C 1 1
19 3665 1 1 7 GLY CA C -3.292 6.170 -2.413 1.00 . A A . 7 GLY CA 1 1
19 3666 1 1 7 GLY H H -2.994 4.041 -2.913 1.00 . A A . 7 GLY H 1 1
19 3667 1 1 7 GLY HA2 H -3.905 6.685 -3.177 1.00 . A A . 7 GLY HA2 1 1
19 3668 1 1 7 GLY HA3 H -3.576 6.632 -1.446 1.00 . A A . 7 GLY HA3 1 1
19 3669 1 1 7 GLY N N -3.597 4.721 -2.435 1.00 . A A . 7 GLY N 1 1
19 3670 1 1 7 GLY O O -1.417 6.490 -3.886 1.00 . A A . 7 GLY O 1 1
19 3671 1 1 8 LYS C C 1.189 5.339 -1.941 1.00 . A A . 8 LYS C 1 1
19 3672 1 1 8 LYS CA C 0.484 6.722 -1.786 1.00 . A A . 8 LYS CA 1 1
19 3673 1 1 8 LYS CB C 0.984 7.517 -0.548 1.00 . A A . 8 LYS CB 1 1
19 3674 1 1 8 LYS CD C 2.900 8.793 0.600 1.00 . A A . 8 LYS CD 1 1
19 3675 1 1 8 LYS CE C 4.366 9.254 0.501 1.00 . A A . 8 LYS CE 1 1
19 3676 1 1 8 LYS CG C 2.430 8.052 -0.668 1.00 . A A . 8 LYS CG 1 1
19 3677 1 1 8 LYS H H -1.438 6.393 -0.746 1.00 . A A . 8 LYS H 1 1
19 3678 1 1 8 LYS HA H 0.677 7.351 -2.680 1.00 . A A . 8 LYS HA 1 1
19 3679 1 1 8 LYS HB2 H 0.317 8.384 -0.372 1.00 . A A . 8 LYS HB2 1 1
19 3680 1 1 8 LYS HB3 H 0.890 6.890 0.361 1.00 . A A . 8 LYS HB3 1 1
19 3681 1 1 8 LYS HD2 H 2.239 9.663 0.781 1.00 . A A . 8 LYS HD2 1 1
19 3682 1 1 8 LYS HD3 H 2.774 8.130 1.479 1.00 . A A . 8 LYS HD3 1 1
19 3683 1 1 8 LYS HE2 H 5.031 8.385 0.323 1.00 . A A . 8 LYS HE2 1 1
19 3684 1 1 8 LYS HE3 H 4.502 9.925 -0.369 1.00 . A A . 8 LYS HE3 1 1
19 3685 1 1 8 LYS HG2 H 3.122 7.215 -0.881 1.00 . A A . 8 LYS HG2 1 1
19 3686 1 1 8 LYS HG3 H 2.503 8.726 -1.543 1.00 . A A . 8 LYS HG3 1 1
19 3687 1 1 8 LYS HZ1 H 5.764 10.264 1.688 1.00 . A A . 8 LYS HZ1 1 1
19 3688 1 1 8 LYS HZ2 H 4.215 10.783 1.917 1.00 . A A . 8 LYS HZ2 1 1
19 3689 1 1 8 LYS HZ3 H 4.705 9.348 2.561 1.00 . A A . 8 LYS HZ3 1 1
19 3690 1 1 8 LYS N N -0.984 6.515 -1.657 1.00 . A A . 8 LYS N 1 1
19 3691 1 1 8 LYS NZ N 4.787 9.950 1.734 1.00 . A A . 8 LYS NZ 1 1
19 3692 1 1 8 LYS O O 0.896 4.392 -1.200 1.00 . A A . 8 LYS O 1 1
19 3693 1 1 9 LEU C C 4.077 3.787 -2.171 1.00 . A A . 9 LEU C 1 1
19 3694 1 1 9 LEU CA C 2.885 3.982 -3.168 1.00 . A A . 9 LEU CA 1 1
19 3695 1 1 9 LEU CB C 3.347 3.953 -4.663 1.00 . A A . 9 LEU CB 1 1
19 3696 1 1 9 LEU CD1 C 1.235 4.802 -5.955 1.00 . A A . 9 LEU CD1 1 1
19 3697 1 1 9 LEU CD2 C 3.060 3.570 -7.156 1.00 . A A . 9 LEU CD2 1 1
19 3698 1 1 9 LEU CG C 2.315 3.710 -5.812 1.00 . A A . 9 LEU CG 1 1
19 3699 1 1 9 LEU H H 2.279 6.089 -3.454 1.00 . A A . 9 LEU H 1 1
19 3700 1 1 9 LEU HA H 2.203 3.120 -3.019 1.00 . A A . 9 LEU HA 1 1
19 3701 1 1 9 LEU HB2 H 3.926 4.872 -4.881 1.00 . A A . 9 LEU HB2 1 1
19 3702 1 1 9 LEU HB3 H 4.098 3.143 -4.750 1.00 . A A . 9 LEU HB3 1 1
19 3703 1 1 9 LEU HD11 H 1.674 5.811 -6.076 1.00 . A A . 9 LEU HD11 1 1
19 3704 1 1 9 LEU HD12 H 0.581 4.624 -6.829 1.00 . A A . 9 LEU HD12 1 1
19 3705 1 1 9 LEU HD13 H 0.565 4.836 -5.077 1.00 . A A . 9 LEU HD13 1 1
19 3706 1 1 9 LEU HD21 H 3.605 4.494 -7.430 1.00 . A A . 9 LEU HD21 1 1
19 3707 1 1 9 LEU HD22 H 3.801 2.750 -7.130 1.00 . A A . 9 LEU HD22 1 1
19 3708 1 1 9 LEU HD23 H 2.368 3.340 -7.987 1.00 . A A . 9 LEU HD23 1 1
19 3709 1 1 9 LEU HG H 1.797 2.746 -5.649 1.00 . A A . 9 LEU HG 1 1
19 3710 1 1 9 LEU N N 2.141 5.244 -2.890 1.00 . A A . 9 LEU N 1 1
19 3711 1 1 9 LEU O O 5.238 4.074 -2.478 1.00 . A A . 9 LEU O 1 1
19 3712 1 1 10 ILE C C 4.244 1.687 0.847 1.00 . A A . 10 ILE C 1 1
19 3713 1 1 10 ILE CA C 4.717 2.997 0.128 1.00 . A A . 10 ILE CA 1 1
19 3714 1 1 10 ILE CB C 4.947 4.236 1.080 1.00 . A A . 10 ILE CB 1 1
19 3715 1 1 10 ILE CD1 C 2.723 4.426 2.504 1.00 . A A . 10 ILE CD1 1 1
19 3716 1 1 10 ILE CG1 C 3.716 5.087 1.537 1.00 . A A . 10 ILE CG1 1 1
19 3717 1 1 10 ILE CG2 C 6.014 5.197 0.499 1.00 . A A . 10 ILE CG2 1 1
19 3718 1 1 10 ILE H H 2.742 3.176 -0.812 1.00 . A A . 10 ILE H 1 1
19 3719 1 1 10 ILE HA H 5.700 2.735 -0.315 1.00 . A A . 10 ILE HA 1 1
19 3720 1 1 10 ILE HB H 5.402 3.831 1.998 1.00 . A A . 10 ILE HB 1 1
19 3721 1 1 10 ILE HD11 H 3.226 4.039 3.410 1.00 . A A . 10 ILE HD11 1 1
19 3722 1 1 10 ILE HD12 H 1.958 5.148 2.844 1.00 . A A . 10 ILE HD12 1 1
19 3723 1 1 10 ILE HD13 H 2.182 3.586 2.032 1.00 . A A . 10 ILE HD13 1 1
19 3724 1 1 10 ILE HG12 H 4.073 6.004 2.043 1.00 . A A . 10 ILE HG12 1 1
19 3725 1 1 10 ILE HG13 H 3.162 5.451 0.654 1.00 . A A . 10 ILE HG13 1 1
19 3726 1 1 10 ILE HG21 H 6.311 5.973 1.228 1.00 . A A . 10 ILE HG21 1 1
19 3727 1 1 10 ILE HG22 H 6.941 4.663 0.219 1.00 . A A . 10 ILE HG22 1 1
19 3728 1 1 10 ILE HG23 H 5.653 5.720 -0.405 1.00 . A A . 10 ILE HG23 1 1
19 3729 1 1 10 ILE N N 3.748 3.284 -0.969 1.00 . A A . 10 ILE N 1 1
19 3730 1 1 10 ILE O O 3.943 1.690 2.045 1.00 . A A . 10 ILE O 1 1
19 3731 1 1 11 . C C 2.565 -1.295 -0.183 1.00 . A A . 11 SET C 1 1
19 3732 1 1 11 . CA C 3.753 -0.757 0.678 1.00 . A A . 11 SET CA 1 1
19 3733 1 1 11 . CB C 4.920 -1.787 0.795 1.00 . A A . 11 SET CB 1 1
19 3734 1 1 11 . H H 4.481 0.648 -0.862 1.00 . A A . 11 SET H 1 1
19 3735 1 1 11 . HA H 3.299 -0.622 1.681 1.00 . A A . 11 SET HA 1 1
19 3736 1 1 11 . HB2 H 2.915 -1.484 -1.216 1.00 . A A . 11 SET HB2 1 1
19 3737 1 1 11 . HB3 H 2.273 -2.296 0.191 1.00 . A A . 11 SET HB3 1 1
19 3738 1 1 11 . HNT2 H 0.974 -0.133 -1.173 1.00 . A A . 11 SET HNT2 1 1
19 3739 1 1 11 . N N 4.228 0.543 0.126 1.00 . A A . 11 SET N 1 1
19 3740 1 1 11 . NT N 1.336 -0.459 -0.270 1.00 . A A . 11 SET NT 1 1
19 3741 1 1 11 . OG O 5.063 -2.660 -0.069 1.00 . A A . 11 SET OG 1 1
19 3742 1 1 12 THR C C 6.468 -4.163 2.397 1.00 . A A . 12 THR C 1 1
19 3743 1 1 12 THR CA C 6.881 -2.680 2.074 1.00 . A A . 12 THR CA 1 1
19 3744 1 1 12 THR CB C 7.896 -2.078 3.095 1.00 . A A . 12 THR CB 1 1
19 3745 1 1 12 THR CG2 C 7.422 -1.963 4.558 1.00 . A A . 12 THR CG2 1 1
19 3746 1 1 12 THR H H 5.758 -0.839 2.398 1.00 . A A . 12 THR H 1 1
19 3747 1 1 12 THR HA H 7.435 -2.733 1.115 1.00 . A A . 12 THR HA 1 1
19 3748 1 1 12 THR HB H 8.171 -1.061 2.755 1.00 . A A . 12 THR HB 1 1
19 3749 1 1 12 THR HG1 H 9.665 -2.460 3.754 1.00 . A A . 12 THR HG1 1 1
19 3750 1 1 12 THR HG21 H 7.197 -2.952 4.998 1.00 . A A . 12 THR HG21 1 1
19 3751 1 1 12 THR HG22 H 8.192 -1.491 5.196 1.00 . A A . 12 THR HG22 1 1
19 3752 1 1 12 THR HG23 H 6.508 -1.348 4.646 1.00 . A A . 12 THR HG23 1 1
19 3753 1 1 12 THR N N 5.757 -1.713 1.859 1.00 . A A . 12 THR N 1 1
19 3754 1 1 12 THR O O 7.216 -5.079 2.044 1.00 . A A . 12 THR O 1 1
19 3755 1 1 12 THR OG1 O 9.092 -2.850 3.089 1.00 . A A . 12 THR OG1 1 1
19 3756 1 1 13 THR C C 3.266 -5.797 3.248 1.00 . A A . 13 THR C 1 1
19 3757 1 1 13 THR CA C 4.818 -5.755 3.415 1.00 . A A . 13 THR CA 1 1
19 3758 1 1 13 THR CB C 5.335 -6.245 4.805 1.00 . A A . 13 THR CB 1 1
19 3759 1 1 13 THR CG2 C 4.788 -5.544 6.065 1.00 . A A . 13 THR CG2 1 1
19 3760 1 1 13 THR H H 4.730 -3.556 3.154 1.00 . A A . 13 THR H 1 1
19 3761 1 1 13 THR HA H 5.243 -6.463 2.673 1.00 . A A . 13 THR HA 1 1
19 3762 1 1 13 THR HB H 6.437 -6.132 4.817 1.00 . A A . 13 THR HB 1 1
19 3763 1 1 13 THR HG1 H 5.375 -7.887 5.808 1.00 . A A . 13 THR HG1 1 1
19 3764 1 1 13 THR HG21 H 3.696 -5.679 6.173 1.00 . A A . 13 THR HG21 1 1
19 3765 1 1 13 THR HG22 H 5.252 -5.950 6.985 1.00 . A A . 13 THR HG22 1 1
19 3766 1 1 13 THR HG23 H 4.992 -4.458 6.055 1.00 . A A . 13 THR HG23 1 1
19 3767 1 1 13 THR N N 5.318 -4.393 3.066 1.00 . A A . 13 THR N 1 1
19 3768 1 1 13 THR O O 2.553 -4.859 3.626 1.00 . A A . 13 THR O 1 1
19 3769 1 1 13 THR OG1 O 5.058 -7.635 4.938 1.00 . A A . 13 THR OG1 1 1
19 3770 1 1 14 ALA C C 0.555 -7.541 3.753 1.00 . A A . 14 ALA C 1 1
19 3771 1 1 14 ALA CA C 1.295 -7.101 2.468 1.00 . A A . 14 ALA CA 1 1
19 3772 1 1 14 ALA CB C 1.098 -8.092 1.307 1.00 . A A . 14 ALA CB 1 1
19 3773 1 1 14 ALA H H 3.434 -7.637 2.457 1.00 . A A . 14 ALA H 1 1
19 3774 1 1 14 ALA HXT H 0.135 -5.650 3.951 1.00 . A A . 14 ALA HXT 1 1
19 3775 1 1 14 ALA HA H 0.862 -6.144 2.126 1.00 . A A . 14 ALA HA 1 1
19 3776 1 1 14 ALA HB1 H 1.506 -9.095 1.535 1.00 . A A . 14 ALA HB1 1 1
19 3777 1 1 14 ALA HB2 H 0.026 -8.224 1.068 1.00 . A A . 14 ALA HB2 1 1
19 3778 1 1 14 ALA HB3 H 1.586 -7.741 0.378 1.00 . A A . 14 ALA HB3 1 1
19 3779 1 1 14 ALA N N 2.748 -6.914 2.699 1.00 . A A . 14 ALA N 1 1
19 3780 1 1 14 ALA O O 0.509 -8.703 4.160 1.00 . A A . 14 ALA O 1 1
19 3781 1 1 14 ALA OXT O -0.034 -6.483 4.397 1.00 . A A . 14 ALA OXT 1 1
20 3782 1 1 1 ACE C C -0.445 0.767 8.532 1.00 . A A . 1 ACE C 1 1
20 3783 1 1 1 ACE CH3 C -0.419 1.073 10.026 1.00 . A A . 1 ACE CH3 1 1
20 3784 1 1 1 ACE H1 H 0.054 2.051 10.232 1.00 . A A . 1 ACE H1 1 1
20 3785 1 1 1 ACE H2 H -1.438 1.088 10.455 1.00 . A A . 1 ACE H2 1 1
20 3786 1 1 1 ACE H3 H 0.158 0.308 10.578 1.00 . A A . 1 ACE H3 1 1
20 3787 1 1 1 ACE O O 0.126 -0.233 8.090 1.00 . A A . 1 ACE O 1 1
20 3788 1 1 2 ILE C C -0.450 2.674 5.630 1.00 . A A . 2 ILE C 1 1
20 3789 1 1 2 ILE CA C -1.259 1.518 6.296 1.00 . A A . 2 ILE CA 1 1
20 3790 1 1 2 ILE CB C -2.755 1.442 5.822 1.00 . A A . 2 ILE CB 1 1
20 3791 1 1 2 ILE CD1 C -3.048 -1.151 6.192 1.00 . A A . 2 ILE CD1 1 1
20 3792 1 1 2 ILE CG1 C -3.571 0.274 6.462 1.00 . A A . 2 ILE CG1 1 1
20 3793 1 1 2 ILE CG2 C -2.957 1.413 4.283 1.00 . A A . 2 ILE CG2 1 1
20 3794 1 1 2 ILE H H -1.488 2.451 8.299 1.00 . A A . 2 ILE H 1 1
20 3795 1 1 2 ILE HA H -0.810 0.556 5.986 1.00 . A A . 2 ILE HA 1 1
20 3796 1 1 2 ILE HB H -3.219 2.388 6.141 1.00 . A A . 2 ILE HB 1 1
20 3797 1 1 2 ILE HD11 H -3.687 -1.914 6.670 1.00 . A A . 2 ILE HD11 1 1
20 3798 1 1 2 ILE HD12 H -3.016 -1.383 5.113 1.00 . A A . 2 ILE HD12 1 1
20 3799 1 1 2 ILE HD13 H -2.025 -1.297 6.586 1.00 . A A . 2 ILE HD13 1 1
20 3800 1 1 2 ILE HG12 H -3.622 0.423 7.557 1.00 . A A . 2 ILE HG12 1 1
20 3801 1 1 2 ILE HG13 H -4.626 0.334 6.133 1.00 . A A . 2 ILE HG13 1 1
20 3802 1 1 2 ILE HG21 H -2.568 2.326 3.797 1.00 . A A . 2 ILE HG21 1 1
20 3803 1 1 2 ILE HG22 H -2.443 0.555 3.817 1.00 . A A . 2 ILE HG22 1 1
20 3804 1 1 2 ILE HG23 H -4.025 1.347 4.003 1.00 . A A . 2 ILE HG23 1 1
20 3805 1 1 2 ILE N N -1.123 1.646 7.779 1.00 . A A . 2 ILE N 1 1
20 3806 1 1 2 ILE O O -0.497 3.839 6.040 1.00 . A A . 2 ILE O 1 1
20 3807 1 1 3 TRP C C 0.322 4.273 2.891 1.00 . A A . 3 TRP C 1 1
20 3808 1 1 3 TRP CA C 1.106 3.246 3.761 1.00 . A A . 3 TRP CA 1 1
20 3809 1 1 3 TRP CB C 2.215 2.493 2.966 1.00 . A A . 3 TRP CB 1 1
20 3810 1 1 3 TRP CD1 C 3.374 0.263 3.708 1.00 . A A . 3 TRP CD1 1 1
20 3811 1 1 3 TRP CD2 C 4.152 2.090 4.713 1.00 . A A . 3 TRP CD2 1 1
20 3812 1 1 3 TRP CE2 C 4.843 0.948 5.195 1.00 . A A . 3 TRP CE2 1 1
20 3813 1 1 3 TRP CE3 C 4.481 3.383 5.197 1.00 . A A . 3 TRP CE3 1 1
20 3814 1 1 3 TRP CG C 3.217 1.663 3.784 1.00 . A A . 3 TRP CG 1 1
20 3815 1 1 3 TRP CH2 C 6.167 2.371 6.635 1.00 . A A . 3 TRP CH2 1 1
20 3816 1 1 3 TRP CZ2 C 5.861 1.091 6.167 1.00 . A A . 3 TRP CZ2 1 1
20 3817 1 1 3 TRP CZ3 C 5.487 3.499 6.156 1.00 . A A . 3 TRP CZ3 1 1
20 3818 1 1 3 TRP H H 0.160 1.304 4.361 1.00 . A A . 3 TRP H 1 1
20 3819 1 1 3 TRP HA H 1.636 3.875 4.479 1.00 . A A . 3 TRP HA 1 1
20 3820 1 1 3 TRP HB2 H 1.746 1.842 2.207 1.00 . A A . 3 TRP HB2 1 1
20 3821 1 1 3 TRP HB3 H 2.804 3.223 2.379 1.00 . A A . 3 TRP HB3 1 1
20 3822 1 1 3 TRP HD1 H 2.801 -0.385 3.060 1.00 . A A . 3 TRP HD1 1 1
20 3823 1 1 3 TRP HE1 H 4.683 -1.169 4.724 1.00 . A A . 3 TRP HE1 1 1
20 3824 1 1 3 TRP HE3 H 3.969 4.263 4.834 1.00 . A A . 3 TRP HE3 1 1
20 3825 1 1 3 TRP HH2 H 6.942 2.493 7.377 1.00 . A A . 3 TRP HH2 1 1
20 3826 1 1 3 TRP HZ2 H 6.393 0.229 6.542 1.00 . A A . 3 TRP HZ2 1 1
20 3827 1 1 3 TRP HZ3 H 5.748 4.476 6.535 1.00 . A A . 3 TRP HZ3 1 1
20 3828 1 1 3 TRP N N 0.255 2.307 4.550 1.00 . A A . 3 TRP N 1 1
20 3829 1 1 3 TRP NE1 N 4.373 -0.200 4.582 1.00 . A A . 3 TRP NE1 1 1
20 3830 1 1 3 TRP O O 0.453 5.483 3.094 1.00 . A A . 3 TRP O 1 1
20 3831 1 1 4 GLY C C -2.114 3.795 0.056 1.00 . A A . 4 GLY C 1 1
20 3832 1 1 4 GLY CA C -1.273 4.637 1.037 1.00 . A A . 4 GLY CA 1 1
20 3833 1 1 4 GLY H H -0.436 2.763 1.897 1.00 . A A . 4 GLY H 1 1
20 3834 1 1 4 GLY HA2 H -1.903 5.342 1.613 1.00 . A A . 4 GLY HA2 1 1
20 3835 1 1 4 GLY HA3 H -0.583 5.290 0.459 1.00 . A A . 4 GLY HA3 1 1
20 3836 1 1 4 GLY N N -0.475 3.782 1.939 1.00 . A A . 4 GLY N 1 1
20 3837 1 1 4 GLY O O -1.678 3.621 -1.086 1.00 . A A . 4 GLY O 1 1
20 3838 1 1 5 GLU C C -5.053 3.381 -1.342 1.00 . A A . 5 GLU C 1 1
20 3839 1 1 5 GLU CA C -4.166 2.466 -0.440 1.00 . A A . 5 GLU CA 1 1
20 3840 1 1 5 GLU CB C -5.022 1.429 0.366 1.00 . A A . 5 GLU CB 1 1
20 3841 1 1 5 GLU CD C -4.093 -0.918 0.985 1.00 . A A . 5 GLU CD 1 1
20 3842 1 1 5 GLU CG C -4.829 -0.053 -0.053 1.00 . A A . 5 GLU CG 1 1
20 3843 1 1 5 GLU H H -3.563 3.432 1.446 1.00 . A A . 5 GLU H 1 1
20 3844 1 1 5 GLU HA H -3.493 1.883 -1.103 1.00 . A A . 5 GLU HA 1 1
20 3845 1 1 5 GLU HB2 H -4.885 1.539 1.459 1.00 . A A . 5 GLU HB2 1 1
20 3846 1 1 5 GLU HB3 H -6.104 1.646 0.258 1.00 . A A . 5 GLU HB3 1 1
20 3847 1 1 5 GLU HG2 H -5.829 -0.499 -0.213 1.00 . A A . 5 GLU HG2 1 1
20 3848 1 1 5 GLU HG3 H -4.353 -0.141 -1.050 1.00 . A A . 5 GLU HG3 1 1
20 3849 1 1 5 GLU N N -3.304 3.286 0.462 1.00 . A A . 5 GLU N 1 1
20 3850 1 1 5 GLU O O -6.127 3.832 -0.927 1.00 . A A . 5 GLU O 1 1
20 3851 1 1 5 GLU OE1 O -4.745 -1.572 1.803 1.00 . A A . 5 GLU OE1 1 1
20 3852 1 1 6 SER C C -4.746 4.219 -4.960 1.00 . A A . 6 SER C 1 1
20 3853 1 1 6 SER CA C -5.317 4.514 -3.545 1.00 . A A . 6 SER CA 1 1
20 3854 1 1 6 SER CB C -5.246 6.018 -3.168 1.00 . A A . 6 SER CB 1 1
20 3855 1 1 6 SER H H -3.652 3.282 -2.775 1.00 . A A . 6 SER H 1 1
20 3856 1 1 6 SER HA H -6.386 4.219 -3.523 1.00 . A A . 6 SER HA 1 1
20 3857 1 1 6 SER HB2 H -5.599 6.183 -2.133 1.00 . A A . 6 SER HB2 1 1
20 3858 1 1 6 SER HB3 H -4.201 6.385 -3.191 1.00 . A A . 6 SER HB3 1 1
20 3859 1 1 6 SER HG H -6.952 6.528 -3.912 1.00 . A A . 6 SER HG 1 1
20 3860 1 1 6 SER N N -4.580 3.669 -2.569 1.00 . A A . 6 SER N 1 1
20 3861 1 1 6 SER O O -3.789 4.865 -5.403 1.00 . A A . 6 SER O 1 1
20 3862 1 1 6 SER OG O -6.042 6.803 -4.050 1.00 . A A . 6 SER OG 1 1
20 3863 1 1 7 GLY C C -3.719 1.810 -7.019 1.00 . A A . 7 GLY C 1 1
20 3864 1 1 7 GLY CA C -4.870 2.836 -7.021 1.00 . A A . 7 GLY CA 1 1
20 3865 1 1 7 GLY H H -6.052 2.704 -5.154 1.00 . A A . 7 GLY H 1 1
20 3866 1 1 7 GLY HA2 H -5.731 2.401 -7.562 1.00 . A A . 7 GLY HA2 1 1
20 3867 1 1 7 GLY HA3 H -4.591 3.727 -7.619 1.00 . A A . 7 GLY HA3 1 1
20 3868 1 1 7 GLY N N -5.327 3.224 -5.661 1.00 . A A . 7 GLY N 1 1
20 3869 1 1 7 GLY O O -3.931 0.633 -7.323 1.00 . A A . 7 GLY O 1 1
20 3870 1 1 8 LYS C C -1.285 0.530 -5.334 1.00 . A A . 8 LYS C 1 1
20 3871 1 1 8 LYS CA C -1.286 1.425 -6.612 1.00 . A A . 8 LYS CA 1 1
20 3872 1 1 8 LYS CB C -0.014 2.321 -6.633 1.00 . A A . 8 LYS CB 1 1
20 3873 1 1 8 LYS CD C 1.535 3.921 -7.917 1.00 . A A . 8 LYS CD 1 1
20 3874 1 1 8 LYS CE C 1.793 4.669 -9.238 1.00 . A A . 8 LYS CE 1 1
20 3875 1 1 8 LYS CG C 0.252 3.068 -7.961 1.00 . A A . 8 LYS CG 1 1
20 3876 1 1 8 LYS H H -2.497 3.264 -6.396 1.00 . A A . 8 LYS H 1 1
20 3877 1 1 8 LYS HA H -1.259 0.778 -7.513 1.00 . A A . 8 LYS HA 1 1
20 3878 1 1 8 LYS HB2 H -0.054 3.048 -5.796 1.00 . A A . 8 LYS HB2 1 1
20 3879 1 1 8 LYS HB3 H 0.872 1.692 -6.418 1.00 . A A . 8 LYS HB3 1 1
20 3880 1 1 8 LYS HD2 H 1.462 4.646 -7.082 1.00 . A A . 8 LYS HD2 1 1
20 3881 1 1 8 LYS HD3 H 2.399 3.271 -7.677 1.00 . A A . 8 LYS HD3 1 1
20 3882 1 1 8 LYS HE2 H 1.876 3.951 -10.077 1.00 . A A . 8 LYS HE2 1 1
20 3883 1 1 8 LYS HE3 H 0.934 5.326 -9.482 1.00 . A A . 8 LYS HE3 1 1
20 3884 1 1 8 LYS HG2 H 0.318 2.334 -8.787 1.00 . A A . 8 LYS HG2 1 1
20 3885 1 1 8 LYS HG3 H -0.613 3.715 -8.203 1.00 . A A . 8 LYS HG3 1 1
20 3886 1 1 8 LYS HZ1 H 3.851 4.900 -8.963 1.00 . A A . 8 LYS HZ1 1 1
20 3887 1 1 8 LYS HZ2 H 3.215 5.986 -10.029 1.00 . A A . 8 LYS HZ2 1 1
20 3888 1 1 8 LYS HZ3 H 2.974 6.180 -8.409 1.00 . A A . 8 LYS HZ3 1 1
20 3889 1 1 8 LYS N N -2.504 2.278 -6.681 1.00 . A A . 8 LYS N 1 1
20 3890 1 1 8 LYS NZ N 3.026 5.479 -9.157 1.00 . A A . 8 LYS NZ 1 1
20 3891 1 1 8 LYS O O -1.725 0.951 -4.257 1.00 . A A . 8 LYS O 1 1
20 3892 1 1 9 LEU C C 0.522 -1.349 -3.412 1.00 . A A . 9 LEU C 1 1
20 3893 1 1 9 LEU CA C -0.684 -1.680 -4.348 1.00 . A A . 9 LEU CA 1 1
20 3894 1 1 9 LEU CB C -0.614 -3.114 -4.962 1.00 . A A . 9 LEU CB 1 1
20 3895 1 1 9 LEU CD1 C -2.037 -5.002 -3.886 1.00 . A A . 9 LEU CD1 1 1
20 3896 1 1 9 LEU CD2 C 0.406 -5.383 -4.338 1.00 . A A . 9 LEU CD2 1 1
20 3897 1 1 9 LEU CG C -0.652 -4.323 -3.971 1.00 . A A . 9 LEU CG 1 1
20 3898 1 1 9 LEU H H -0.427 -0.934 -6.411 1.00 . A A . 9 LEU H 1 1
20 3899 1 1 9 LEU HA H -1.628 -1.603 -3.769 1.00 . A A . 9 LEU HA 1 1
20 3900 1 1 9 LEU HB2 H -1.423 -3.238 -5.710 1.00 . A A . 9 LEU HB2 1 1
20 3901 1 1 9 LEU HB3 H 0.307 -3.165 -5.577 1.00 . A A . 9 LEU HB3 1 1
20 3902 1 1 9 LEU HD11 H -2.829 -4.296 -3.579 1.00 . A A . 9 LEU HD11 1 1
20 3903 1 1 9 LEU HD12 H -2.348 -5.444 -4.853 1.00 . A A . 9 LEU HD12 1 1
20 3904 1 1 9 LEU HD13 H -2.045 -5.828 -3.149 1.00 . A A . 9 LEU HD13 1 1
20 3905 1 1 9 LEU HD21 H 0.413 -6.223 -3.619 1.00 . A A . 9 LEU HD21 1 1
20 3906 1 1 9 LEU HD22 H 0.236 -5.811 -5.344 1.00 . A A . 9 LEU HD22 1 1
20 3907 1 1 9 LEU HD23 H 1.425 -4.953 -4.332 1.00 . A A . 9 LEU HD23 1 1
20 3908 1 1 9 LEU HG H -0.395 -3.972 -2.954 1.00 . A A . 9 LEU HG 1 1
20 3909 1 1 9 LEU N N -0.758 -0.703 -5.468 1.00 . A A . 9 LEU N 1 1
20 3910 1 1 9 LEU O O 1.665 -1.736 -3.673 1.00 . A A . 9 LEU O 1 1
20 3911 1 1 10 ILE C C 0.463 -0.013 0.023 1.00 . A A . 10 ILE C 1 1
20 3912 1 1 10 ILE CA C 1.243 -0.195 -1.316 1.00 . A A . 10 ILE CA 1 1
20 3913 1 1 10 ILE CB C 2.146 1.011 -1.773 1.00 . A A . 10 ILE CB 1 1
20 3914 1 1 10 ILE CD1 C 4.056 0.343 -0.107 1.00 . A A . 10 ILE CD1 1 1
20 3915 1 1 10 ILE CG1 C 3.207 1.463 -0.729 1.00 . A A . 10 ILE CG1 1 1
20 3916 1 1 10 ILE CG2 C 1.389 2.264 -2.284 1.00 . A A . 10 ILE CG2 1 1
20 3917 1 1 10 ILE H H -0.728 -0.258 -2.288 1.00 . A A . 10 ILE H 1 1
20 3918 1 1 10 ILE HA H 1.959 -1.034 -1.193 1.00 . A A . 10 ILE HA 1 1
20 3919 1 1 10 ILE HB H 2.717 0.630 -2.640 1.00 . A A . 10 ILE HB 1 1
20 3920 1 1 10 ILE HD11 H 4.556 -0.266 -0.881 1.00 . A A . 10 ILE HD11 1 1
20 3921 1 1 10 ILE HD12 H 4.831 0.757 0.560 1.00 . A A . 10 ILE HD12 1 1
20 3922 1 1 10 ILE HD13 H 3.438 -0.340 0.506 1.00 . A A . 10 ILE HD13 1 1
20 3923 1 1 10 ILE HG12 H 3.894 2.193 -1.198 1.00 . A A . 10 ILE HG12 1 1
20 3924 1 1 10 ILE HG13 H 2.715 2.022 0.088 1.00 . A A . 10 ILE HG13 1 1
20 3925 1 1 10 ILE HG21 H 0.813 2.760 -1.481 1.00 . A A . 10 ILE HG21 1 1
20 3926 1 1 10 ILE HG22 H 2.081 3.021 -2.699 1.00 . A A . 10 ILE HG22 1 1
20 3927 1 1 10 ILE HG23 H 0.676 2.018 -3.092 1.00 . A A . 10 ILE HG23 1 1
20 3928 1 1 10 ILE N N 0.235 -0.608 -2.328 1.00 . A A . 10 ILE N 1 1
20 3929 1 1 10 ILE O O 0.046 1.101 0.355 1.00 . A A . 10 ILE O 1 1
20 3930 1 1 11 . C C -1.928 -1.673 1.920 1.00 . A A . 11 SET C 1 1
20 3931 1 1 11 . CA C -0.498 -1.075 2.074 1.00 . A A . 11 SET CA 1 1
20 3932 1 1 11 . CB C 0.281 -1.637 3.304 1.00 . A A . 11 SET CB 1 1
20 3933 1 1 11 . H H 0.356 -1.980 0.242 1.00 . A A . 11 SET H 1 1
20 3934 1 1 11 . HA H -0.667 -0.014 2.350 1.00 . A A . 11 SET HA 1 1
20 3935 1 1 11 . HB2 H -1.892 -2.732 1.605 1.00 . A A . 11 SET HB2 1 1
20 3936 1 1 11 . HB3 H -2.433 -1.677 2.907 1.00 . A A . 11 SET HB3 1 1
20 3937 1 1 11 . HNT2 H -2.310 -0.325 0.232 1.00 . A A . 11 SET HNT2 1 1
20 3938 1 1 11 . N N 0.262 -1.114 0.783 1.00 . A A . 11 SET N 1 1
20 3939 1 1 11 . NT N -2.754 -0.908 0.953 1.00 . A A . 11 SET NT 1 1
20 3940 1 1 11 . OG O 0.356 -0.916 4.303 1.00 . A A . 11 SET OG 1 1
20 3941 1 1 12 THR C C 2.978 -3.941 3.918 1.00 . A A . 12 THR C 1 1
20 3942 1 1 12 THR CA C 1.601 -3.439 4.447 1.00 . A A . 12 THR CA 1 1
20 3943 1 1 12 THR CB C 0.788 -4.476 5.289 1.00 . A A . 12 THR CB 1 1
20 3944 1 1 12 THR CG2 C -0.386 -3.871 6.076 1.00 . A A . 12 THR CG2 1 1
20 3945 1 1 12 THR H H 0.753 -3.422 2.433 1.00 . A A . 12 THR H 1 1
20 3946 1 1 12 THR HA H 1.862 -2.625 5.154 1.00 . A A . 12 THR HA 1 1
20 3947 1 1 12 THR HB H 1.474 -4.924 6.034 1.00 . A A . 12 THR HB 1 1
20 3948 1 1 12 THR HG1 H -0.280 -6.059 5.047 1.00 . A A . 12 THR HG1 1 1
20 3949 1 1 12 THR HG21 H -0.054 -3.053 6.742 1.00 . A A . 12 THR HG21 1 1
20 3950 1 1 12 THR HG22 H -1.158 -3.453 5.403 1.00 . A A . 12 THR HG22 1 1
20 3951 1 1 12 THR HG23 H -0.882 -4.627 6.712 1.00 . A A . 12 THR HG23 1 1
20 3952 1 1 12 THR N N 0.838 -2.873 3.291 1.00 . A A . 12 THR N 1 1
20 3953 1 1 12 THR O O 3.975 -3.233 4.086 1.00 . A A . 12 THR O 1 1
20 3954 1 1 12 THR OG1 O 0.279 -5.528 4.474 1.00 . A A . 12 THR OG1 1 1
20 3955 1 1 13 THR C C 4.479 -5.253 1.230 1.00 . A A . 13 THR C 1 1
20 3956 1 1 13 THR CA C 4.316 -5.687 2.721 1.00 . A A . 13 THR CA 1 1
20 3957 1 1 13 THR CB C 4.467 -7.225 2.950 1.00 . A A . 13 THR CB 1 1
20 3958 1 1 13 THR CG2 C 4.752 -7.632 4.407 1.00 . A A . 13 THR CG2 1 1
20 3959 1 1 13 THR H H 2.159 -5.638 3.224 1.00 . A A . 13 THR H 1 1
20 3960 1 1 13 THR HA H 5.177 -5.233 3.253 1.00 . A A . 13 THR HA 1 1
20 3961 1 1 13 THR HB H 5.329 -7.576 2.352 1.00 . A A . 13 THR HB 1 1
20 3962 1 1 13 THR HG1 H 2.648 -7.811 3.180 1.00 . A A . 13 THR HG1 1 1
20 3963 1 1 13 THR HG21 H 5.678 -7.162 4.788 1.00 . A A . 13 THR HG21 1 1
20 3964 1 1 13 THR HG22 H 3.932 -7.345 5.090 1.00 . A A . 13 THR HG22 1 1
20 3965 1 1 13 THR HG23 H 4.889 -8.725 4.500 1.00 . A A . 13 THR HG23 1 1
20 3966 1 1 13 THR N N 3.049 -5.132 3.286 1.00 . A A . 13 THR N 1 1
20 3967 1 1 13 THR O O 5.399 -4.488 0.926 1.00 . A A . 13 THR O 1 1
20 3968 1 1 13 THR OG1 O 3.317 -7.939 2.503 1.00 . A A . 13 THR OG1 1 1
20 3969 1 1 14 ALA C C 2.863 -4.076 -1.444 1.00 . A A . 14 ALA C 1 1
20 3970 1 1 14 ALA CA C 3.660 -5.363 -1.123 1.00 . A A . 14 ALA CA 1 1
20 3971 1 1 14 ALA CB C 3.127 -6.556 -1.936 1.00 . A A . 14 ALA CB 1 1
20 3972 1 1 14 ALA H H 2.895 -6.362 0.689 1.00 . A A . 14 ALA H 1 1
20 3973 1 1 14 ALA HXT H 3.042 -2.464 -2.505 1.00 . A A . 14 ALA HXT 1 1
20 3974 1 1 14 ALA HA H 4.716 -5.214 -1.425 1.00 . A A . 14 ALA HA 1 1
20 3975 1 1 14 ALA HB1 H 3.191 -6.365 -3.023 1.00 . A A . 14 ALA HB1 1 1
20 3976 1 1 14 ALA HB2 H 3.710 -7.477 -1.744 1.00 . A A . 14 ALA HB2 1 1
20 3977 1 1 14 ALA HB3 H 2.068 -6.784 -1.707 1.00 . A A . 14 ALA HB3 1 1
20 3978 1 1 14 ALA N N 3.598 -5.715 0.316 1.00 . A A . 14 ALA N 1 1
20 3979 1 1 14 ALA O O 1.718 -3.847 -1.047 1.00 . A A . 14 ALA O 1 1
20 3980 1 1 14 ALA OXT O 3.572 -3.224 -2.249 1.00 . A A . 14 ALA OXT 1 1
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