NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
642005 |
6qyv   |
34373 | cing | 4-filtered-FRED | STAR | entry | full | 26 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6qyv
# This FRED archive file contains, for PDB entry <6qyv>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.PDB_coordinate_file_version .
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_6qyv
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6qyv
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all other bound"
_Assembly.Molecular_mass 792.94
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 $PHE_SER_DAL_LEU_ALA_LEU_CYS_ALA A . 1 1
stop_
save_
save_PHE_SER_DAL_LEU_ALA_LEU_CYS_ALA
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "PHE SER DAL LEU ALA LEU CYS ALA"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code FSXLALCA
_Entity.Number_of_monomers 8
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 PHE . 1 1
2 SER . 1 1
3 DAL $DAL 1 1
4 LEU . 1 1
5 ALA . 1 1
6 LEU . 1 1
7 CYS . 1 1
8 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
PHE 1 1 1 1
SER 2 2 1 1
DAL 3 3 1 1
LEU 4 4 1 1
ALA 5 5 1 1
LEU 6 6 1 1
CYS 7 7 1 1
ALA 8 8 1 1
stop_
save_
save_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Entry_ID 1
_Chem_comp.ID DAL
_Chem_comp.Type non-polymer
save_
save_CNS/XPLOR_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
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 1 1 1 PHE HA . 1 . HA 1 1
1 1 2 1 1 2 SER H . 2 . HN 1 1
2 1 1 1 1 1 PHE HB2 . 1 . HB2 1 1
2 1 2 1 1 2 SER H . 2 . HN 1 1
3 1 1 1 1 1 PHE HB3 . 1 . HB1 1 1
3 1 2 1 1 2 SER H . 2 . HN 1 1
4 1 1 1 1 1 PHE QD . 1 . HD# 1 1
4 1 1 1 1 1 PHE HZ . 1 . HZ 1 1
4 1 2 1 1 2 SER H . 2 . HN 1 1
5 1 1 1 1 1 PHE QD . 1 . HD# 1 1
5 1 1 1 1 1 PHE HZ . 1 . HZ 1 1
5 1 2 1 1 4 LEU QD . 4 . HD* 1 1
6 1 1 1 1 2 SER QB . 2 . HB# 1 1
6 1 2 1 1 3 DAL HA . 3 . HA 1 1
7 1 1 1 1 4 LEU H . 4 . HN 1 1
7 1 2 1 1 5 ALA H . 5 . HN 1 1
8 1 1 1 1 4 LEU H . 4 . HN 1 1
8 1 2 1 1 6 LEU HA . 6 . HA 1 1
9 1 1 1 1 4 LEU H . 4 . HN 1 1
9 1 2 1 1 7 CYS H . 7 . HN 1 1
10 1 1 1 1 4 LEU HA . 4 . HA 1 1
10 1 2 1 1 5 ALA H . 5 . HN 1 1
11 1 1 1 1 4 LEU HA . 4 . HA 1 1
11 1 2 1 1 5 ALA MB . 5 . HB# 1 1
12 1 1 1 1 4 LEU HB2 . 4 . HB2 1 1
12 1 2 1 1 5 ALA H . 5 . HN 1 1
13 1 1 1 1 4 LEU HB3 . 4 . HB1 1 1
13 1 2 1 1 5 ALA H . 5 . HN 1 1
14 1 1 1 1 4 LEU QD . 4 . HD* 1 1
14 1 2 1 1 5 ALA H . 5 . HN 1 1
15 1 1 1 1 5 ALA MB . 5 . HB# 1 1
15 1 2 1 1 6 LEU H . 6 . HN 1 1
16 1 1 1 1 6 LEU H . 6 . HN 1 1
16 1 2 1 1 7 CYS H . 7 . HN 1 1
17 1 1 1 1 6 LEU HA . 6 . HA 1 1
17 1 2 1 1 7 CYS H . 7 . HN 1 1
18 1 1 1 1 7 CYS H . 7 . HN 1 1
18 1 2 1 1 8 ALA H . 8 . HN 1 1
19 1 1 1 1 7 CYS HA . 7 . HA 1 1
19 1 2 1 1 8 ALA H . 8 . HN 1 1
20 1 1 1 1 7 CYS HB2 . 7 . HB2 1 1
20 1 2 1 1 8 ALA H . 8 . HN 1 1
21 1 1 1 1 7 CYS HB3 . 7 . HB1 1 1
21 1 2 1 1 8 ALA H . 8 . HN 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.7 2.2 3.2 1 1
2 1 . . . . . 3.9 3.1 4.7 1 1
3 1 . . . . . 3.7 3.0 4.4 1 1
4 1 . . . . . 4.6 3.7 5.5 1 1
5 1 . . . . . 4.4 3.5 5.3 1 1
6 1 . . . . . 4.4 3.5 5.3 1 1
7 1 . . . . . 3.3 2.6 4.0 1 1
8 1 . . . . . 4.5 3.6 5.4 1 1
9 1 . . . . . 4.4 3.5 5.3 1 1
10 1 . . . . . 3.3 2.6 4.0 1 1
11 1 . . . . . 4.3 3.4 5.2 1 1
12 1 . . . . . 3.2 2.6 3.8 1 1
13 1 . . . . . 3.2 2.6 3.8 1 1
14 1 . . . . . 4.3 3.4 5.2 1 1
15 1 . . . . . 3.4 2.7 4.1 1 1
16 1 . . . . . 3.3 2.6 4.0 1 1
17 1 . . . . . 3.1 2.5 3.7 1 1
18 1 . . . . . 3.1 2.5 3.7 1 1
19 1 . . . . . 3.0 2.4 3.6 1 1
20 1 . . . . . 3.4 2.7 4.1 1 1
21 1 . . . . . 3.5 2.8 4.2 1 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . 1 1 1 PHE C 1 1 2 SER N 1 1 2 SER CA 1 1 2 SER C -170.8 -10.8 . 1 . C . 2 . N . 2 . CA . 2 . C 1 1
2 . 1 1 6 LEU C 1 1 7 CYS N 1 1 7 CYS CA 1 1 7 CYS C -161.6 -41.6 . 6 . C . 7 . N . 7 . CA . 7 . C 1 1
3 . 1 1 4 LEU C 1 1 5 ALA N 1 1 5 ALA CA 1 1 5 ALA C -142.2 -22.2 . 4 . C . 5 . N . 5 . CA . 5 . C 1 1
4 . 1 1 5 ALA C 1 1 6 LEU N 1 1 6 LEU CA 1 1 6 LEU C -150.8 -30.800001 . 5 . C . 6 . N . 6 . CA . 6 . C 1 1
5 . 1 1 7 CYS C 1 1 8 ALA N 1 1 8 ALA CA 1 1 8 ALA C -142.2 -22.2 . 7 . C . 8 . N . 8 . CA . 8 . C 1 1
stop_
save_
save_conformer_family_coord_set_1
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Entry_ID 1
_Conformer_family_coord_set.ID 1
loop_
_Atom_site.Model_ID
_Atom_site.ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Occupancy
_Atom_site.Uncertainty
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
1 1 1 1 1 PHE C C 10.937 4.914 4.437 1.00 . A A . 1 PHE C 1 1
1 2 1 1 1 PHE CA C 11.721 3.847 3.689 1.00 . A A . 1 PHE CA 1 1
1 3 1 1 1 PHE CB C 10.937 3.385 2.460 1.00 . A A . 1 PHE CB 1 1
1 4 1 1 1 PHE CD1 C 9.870 1.125 2.563 1.00 . A A . 1 PHE CD1 1 1
1 5 1 1 1 PHE CD2 C 12.246 1.284 2.119 1.00 . A A . 1 PHE CD2 1 1
1 6 1 1 1 PHE CE1 C 9.948 -0.269 2.491 1.00 . A A . 1 PHE CE1 1 1
1 7 1 1 1 PHE CE2 C 12.329 -0.109 2.046 1.00 . A A . 1 PHE CE2 1 1
1 8 1 1 1 PHE CG C 11.018 1.894 2.377 1.00 . A A . 1 PHE CG 1 1
1 9 1 1 1 PHE CZ C 11.179 -0.885 2.232 1.00 . A A . 1 PHE CZ 1 1
1 10 1 1 1 PHE H1 H 11.071 2.151 4.708 1.00 . A A . 1 PHE H1 1 1
1 11 1 1 1 PHE H2 H 12.282 3.025 5.519 1.00 . A A . 1 PHE H2 1 1
1 12 1 1 1 PHE H3 H 12.679 2.063 4.176 1.00 . A A . 1 PHE H3 1 1
1 13 1 1 1 PHE HA H 12.671 4.254 3.377 1.00 . A A . 1 PHE HA 1 1
1 14 1 1 1 PHE HB2 H 9.904 3.685 2.550 1.00 . A A . 1 PHE HB2 1 1
1 15 1 1 1 PHE HB3 H 11.366 3.813 1.565 1.00 . A A . 1 PHE HB3 1 1
1 16 1 1 1 PHE HD1 H 8.923 1.611 2.762 1.00 . A A . 1 PHE HD1 1 1
1 17 1 1 1 PHE HD2 H 13.131 1.893 1.977 1.00 . A A . 1 PHE HD2 1 1
1 18 1 1 1 PHE HE1 H 9.061 -0.870 2.634 1.00 . A A . 1 PHE HE1 1 1
1 19 1 1 1 PHE HE2 H 13.278 -0.585 1.847 1.00 . A A . 1 PHE HE2 1 1
1 20 1 1 1 PHE HZ H 11.242 -1.957 2.178 1.00 . A A . 1 PHE HZ 1 1
1 21 1 1 1 PHE N N 11.956 2.683 4.591 1.00 . A A . 1 PHE N 1 1
1 22 1 1 1 PHE O O 10.333 4.651 5.476 1.00 . A A . 1 PHE O 1 1
1 23 1 1 2 SER C C 8.965 7.543 3.740 1.00 . A A . 2 SER C 1 1
1 24 1 1 2 SER CA C 10.252 7.240 4.503 1.00 . A A . 2 SER CA 1 1
1 25 1 1 2 SER CB C 11.147 8.478 4.509 1.00 . A A . 2 SER CB 1 1
1 26 1 1 2 SER H H 11.460 6.256 3.066 1.00 . A A . 2 SER H 1 1
1 27 1 1 2 SER HA H 10.002 6.985 5.522 1.00 . A A . 2 SER HA 1 1
1 28 1 1 2 SER HB2 H 10.891 9.115 3.679 1.00 . A A . 2 SER HB2 1 1
1 29 1 1 2 SER HB3 H 11.003 9.021 5.434 1.00 . A A . 2 SER HB3 1 1
1 30 1 1 2 SER HG H 12.624 7.273 4.902 1.00 . A A . 2 SER HG 1 1
1 31 1 1 2 SER N N 10.958 6.119 3.893 1.00 . A A . 2 SER N 1 1
1 32 1 1 2 SER O O 8.929 8.434 2.893 1.00 . A A . 2 SER O 1 1
1 33 1 1 2 SER OG O 12.506 8.076 4.389 1.00 . A A . 2 SER OG 1 1
1 34 1 1 3 DAL C C 6.353 5.845 2.409 1.00 . A A . 3 DAL C 1 1
1 35 1 1 3 DAL CA C 6.627 6.988 3.386 1.00 . A A . 3 DAL CA 1 1
1 36 1 1 3 DAL CB C 5.511 7.063 4.431 1.00 . A A . 3 DAL CB 1 1
1 37 1 1 3 DAL H H 7.999 6.097 4.731 1.00 . A A . 3 DAL H 1 1
1 38 1 1 3 DAL HA H 6.653 7.918 2.837 1.00 . A A . 3 DAL HA 1 1
1 39 1 1 3 DAL HB1 H 5.771 7.796 5.180 1.00 . A A . 3 DAL HB1 1 1
1 40 1 1 3 DAL HB2 H 5.391 6.099 4.902 1.00 . A A . 3 DAL HB2 1 1
1 41 1 1 3 DAL N N 7.912 6.793 4.047 1.00 . A A . 3 DAL N 1 1
1 42 1 1 3 DAL O O 6.878 5.832 1.295 1.00 . A A . 3 DAL O 1 1
1 43 1 1 4 LEU C C 3.707 3.569 1.851 1.00 . A A . 4 LEU C 1 1
1 44 1 1 4 LEU CA C 5.212 3.742 1.982 1.00 . A A . 4 LEU CA 1 1
1 45 1 1 4 LEU CB C 5.839 2.466 2.553 1.00 . A A . 4 LEU CB 1 1
1 46 1 1 4 LEU CD1 C 6.344 1.261 4.685 1.00 . A A . 4 LEU CD1 1 1
1 47 1 1 4 LEU CD2 C 7.229 3.571 4.313 1.00 . A A . 4 LEU CD2 1 1
1 48 1 1 4 LEU CG C 6.048 2.627 4.060 1.00 . A A . 4 LEU CG 1 1
1 49 1 1 4 LEU H H 5.150 4.945 3.731 1.00 . A A . 4 LEU H 1 1
1 50 1 1 4 LEU HA H 5.615 3.911 1.001 1.00 . A A . 4 LEU HA 1 1
1 51 1 1 4 LEU HB2 H 5.186 1.626 2.364 1.00 . A A . 4 LEU HB2 1 1
1 52 1 1 4 LEU HB3 H 6.793 2.292 2.077 1.00 . A A . 4 LEU HB3 1 1
1 53 1 1 4 LEU HD11 H 6.404 0.514 3.907 1.00 . A A . 4 LEU HD11 1 1
1 54 1 1 4 LEU HD12 H 5.553 1.001 5.372 1.00 . A A . 4 LEU HD12 1 1
1 55 1 1 4 LEU HD13 H 7.282 1.303 5.217 1.00 . A A . 4 LEU HD13 1 1
1 56 1 1 4 LEU HD21 H 7.701 3.819 3.374 1.00 . A A . 4 LEU HD21 1 1
1 57 1 1 4 LEU HD22 H 7.946 3.086 4.959 1.00 . A A . 4 LEU HD22 1 1
1 58 1 1 4 LEU HD23 H 6.872 4.473 4.786 1.00 . A A . 4 LEU HD23 1 1
1 59 1 1 4 LEU HG H 5.154 3.039 4.505 1.00 . A A . 4 LEU HG 1 1
1 60 1 1 4 LEU N N 5.537 4.885 2.833 1.00 . A A . 4 LEU N 1 1
1 61 1 1 4 LEU O O 3.142 3.789 0.779 1.00 . A A . 4 LEU O 1 1
1 62 1 1 5 ALA C C 1.004 3.413 4.217 1.00 . A A . 5 ALA C 1 1
1 63 1 1 5 ALA CA C 1.628 2.963 2.904 1.00 . A A . 5 ALA CA 1 1
1 64 1 1 5 ALA CB C 1.339 1.488 2.654 1.00 . A A . 5 ALA CB 1 1
1 65 1 1 5 ALA H H 3.554 2.996 3.762 1.00 . A A . 5 ALA H 1 1
1 66 1 1 5 ALA HA H 1.206 3.543 2.096 1.00 . A A . 5 ALA HA 1 1
1 67 1 1 5 ALA HB1 H 2.239 0.916 2.827 1.00 . A A . 5 ALA HB1 1 1
1 68 1 1 5 ALA HB2 H 1.020 1.354 1.632 1.00 . A A . 5 ALA HB2 1 1
1 69 1 1 5 ALA HB3 H 0.564 1.155 3.325 1.00 . A A . 5 ALA HB3 1 1
1 70 1 1 5 ALA N N 3.062 3.166 2.933 1.00 . A A . 5 ALA N 1 1
1 71 1 1 5 ALA O O -0.203 3.287 4.423 1.00 . A A . 5 ALA O 1 1
1 72 1 1 6 LEU C C 2.195 5.634 6.836 1.00 . A A . 6 LEU C 1 1
1 73 1 1 6 LEU CA C 1.372 4.432 6.389 1.00 . A A . 6 LEU CA 1 1
1 74 1 1 6 LEU CB C 1.470 3.320 7.435 1.00 . A A . 6 LEU CB 1 1
1 75 1 1 6 LEU CD1 C -0.962 2.764 7.564 1.00 . A A . 6 LEU CD1 1 1
1 76 1 1 6 LEU CD2 C 0.483 2.522 9.588 1.00 . A A . 6 LEU CD2 1 1
1 77 1 1 6 LEU CG C 0.227 3.350 8.327 1.00 . A A . 6 LEU CG 1 1
1 78 1 1 6 LEU H H 2.791 4.028 4.872 1.00 . A A . 6 LEU H 1 1
1 79 1 1 6 LEU HA H 0.341 4.731 6.294 1.00 . A A . 6 LEU HA 1 1
1 80 1 1 6 LEU HB2 H 1.536 2.362 6.939 1.00 . A A . 6 LEU HB2 1 1
1 81 1 1 6 LEU HB3 H 2.350 3.473 8.043 1.00 . A A . 6 LEU HB3 1 1
1 82 1 1 6 LEU HD11 H -1.845 3.353 7.764 1.00 . A A . 6 LEU HD11 1 1
1 83 1 1 6 LEU HD12 H -1.127 1.745 7.884 1.00 . A A . 6 LEU HD12 1 1
1 84 1 1 6 LEU HD13 H -0.753 2.779 6.504 1.00 . A A . 6 LEU HD13 1 1
1 85 1 1 6 LEU HD21 H 0.772 3.176 10.396 1.00 . A A . 6 LEU HD21 1 1
1 86 1 1 6 LEU HD22 H 1.275 1.813 9.398 1.00 . A A . 6 LEU HD22 1 1
1 87 1 1 6 LEU HD23 H -0.418 1.992 9.858 1.00 . A A . 6 LEU HD23 1 1
1 88 1 1 6 LEU HG H 0.009 4.373 8.603 1.00 . A A . 6 LEU HG 1 1
1 89 1 1 6 LEU N N 1.841 3.949 5.098 1.00 . A A . 6 LEU N 1 1
1 90 1 1 6 LEU O O 2.652 5.699 7.977 1.00 . A A . 6 LEU O 1 1
1 91 1 1 7 CYS C C 2.433 8.625 7.282 1.00 . A A . 7 CYS C 1 1
1 92 1 1 7 CYS CA C 3.149 7.786 6.230 1.00 . A A . 7 CYS CA 1 1
1 93 1 1 7 CYS CB C 3.347 8.613 4.958 1.00 . A A . 7 CYS CB 1 1
1 94 1 1 7 CYS H H 1.989 6.479 5.033 1.00 . A A . 7 CYS H 1 1
1 95 1 1 7 CYS HA H 4.115 7.495 6.611 1.00 . A A . 7 CYS HA 1 1
1 96 1 1 7 CYS HB2 H 2.404 9.050 4.662 1.00 . A A . 7 CYS HB2 1 1
1 97 1 1 7 CYS HB3 H 4.063 9.398 5.148 1.00 . A A . 7 CYS HB3 1 1
1 98 1 1 7 CYS N N 2.379 6.586 5.925 1.00 . A A . 7 CYS N 1 1
1 99 1 1 7 CYS O O 3.026 9.520 7.884 1.00 . A A . 7 CYS O 1 1
1 100 1 1 7 CYS SG S 3.960 7.543 3.632 1.00 . A A . 7 CYS SG 1 1
1 101 1 1 8 ALA C C 1.133 9.193 9.791 1.00 . A A . 8 ALA C 1 1
1 102 1 1 8 ALA CA C 0.367 9.064 8.479 1.00 . A A . 8 ALA CA 1 1
1 103 1 1 8 ALA CB C -0.958 8.340 8.728 1.00 . A A . 8 ALA CB 1 1
1 104 1 1 8 ALA H H 0.737 7.607 6.985 1.00 . A A . 8 ALA H 1 1
1 105 1 1 8 ALA HA H 0.158 10.050 8.096 1.00 . A A . 8 ALA HA 1 1
1 106 1 1 8 ALA HB1 H -0.767 7.294 8.915 1.00 . A A . 8 ALA HB1 1 1
1 107 1 1 8 ALA HB2 H -1.592 8.441 7.860 1.00 . A A . 8 ALA HB2 1 1
1 108 1 1 8 ALA HB3 H -1.450 8.774 9.586 1.00 . A A . 8 ALA HB3 1 1
1 109 1 1 8 ALA N N 1.156 8.330 7.497 1.00 . A A . 8 ALA N 1 1
1 110 1 1 8 ALA O O 1.900 8.296 10.098 1.00 . A A . 8 ALA O 1 1
1 111 1 1 8 ALA OXT O 0.943 10.189 10.469 1.00 . A A . 8 ALA OXT 1 1
2 112 1 1 1 PHE C C 7.728 3.056 7.456 1.00 . A A . 1 PHE C 1 1
2 113 1 1 1 PHE CA C 7.560 1.541 7.377 1.00 . A A . 1 PHE CA 1 1
2 114 1 1 1 PHE CB C 6.077 1.178 7.491 1.00 . A A . 1 PHE CB 1 1
2 115 1 1 1 PHE CD1 C 5.006 0.672 5.266 1.00 . A A . 1 PHE CD1 1 1
2 116 1 1 1 PHE CD2 C 6.054 -1.138 6.495 1.00 . A A . 1 PHE CD2 1 1
2 117 1 1 1 PHE CE1 C 4.658 -0.222 4.246 1.00 . A A . 1 PHE CE1 1 1
2 118 1 1 1 PHE CE2 C 5.706 -2.032 5.475 1.00 . A A . 1 PHE CE2 1 1
2 119 1 1 1 PHE CG C 5.705 0.214 6.390 1.00 . A A . 1 PHE CG 1 1
2 120 1 1 1 PHE CZ C 5.007 -1.574 4.352 1.00 . A A . 1 PHE CZ 1 1
2 121 1 1 1 PHE H1 H 7.644 0.462 9.156 1.00 . A A . 1 PHE H1 1 1
2 122 1 1 1 PHE H2 H 8.874 1.624 8.991 1.00 . A A . 1 PHE H2 1 1
2 123 1 1 1 PHE H3 H 8.946 0.172 8.110 1.00 . A A . 1 PHE H3 1 1
2 124 1 1 1 PHE HA H 7.946 1.183 6.435 1.00 . A A . 1 PHE HA 1 1
2 125 1 1 1 PHE HB2 H 5.892 0.719 8.450 1.00 . A A . 1 PHE HB2 1 1
2 126 1 1 1 PHE HB3 H 5.481 2.074 7.399 1.00 . A A . 1 PHE HB3 1 1
2 127 1 1 1 PHE HD1 H 4.737 1.715 5.185 1.00 . A A . 1 PHE HD1 1 1
2 128 1 1 1 PHE HD2 H 6.594 -1.491 7.362 1.00 . A A . 1 PHE HD2 1 1
2 129 1 1 1 PHE HE1 H 4.119 0.131 3.380 1.00 . A A . 1 PHE HE1 1 1
2 130 1 1 1 PHE HE2 H 5.975 -3.075 5.556 1.00 . A A . 1 PHE HE2 1 1
2 131 1 1 1 PHE HZ H 4.738 -2.264 3.566 1.00 . A A . 1 PHE HZ 1 1
2 132 1 1 1 PHE N N 8.312 0.901 8.493 1.00 . A A . 1 PHE N 1 1
2 133 1 1 1 PHE O O 7.331 3.682 8.438 1.00 . A A . 1 PHE O 1 1
2 134 1 1 2 SER C C 8.329 5.603 4.958 1.00 . A A . 2 SER C 1 1
2 135 1 1 2 SER CA C 8.526 5.080 6.376 1.00 . A A . 2 SER CA 1 1
2 136 1 1 2 SER CB C 9.937 5.417 6.855 1.00 . A A . 2 SER CB 1 1
2 137 1 1 2 SER H H 8.609 3.090 5.658 1.00 . A A . 2 SER H 1 1
2 138 1 1 2 SER HA H 7.812 5.557 7.030 1.00 . A A . 2 SER HA 1 1
2 139 1 1 2 SER HB2 H 10.611 5.428 6.015 1.00 . A A . 2 SER HB2 1 1
2 140 1 1 2 SER HB3 H 9.935 6.391 7.325 1.00 . A A . 2 SER HB3 1 1
2 141 1 1 2 SER HG H 11.195 4.723 8.168 1.00 . A A . 2 SER HG 1 1
2 142 1 1 2 SER N N 8.315 3.638 6.415 1.00 . A A . 2 SER N 1 1
2 143 1 1 2 SER O O 9.181 5.406 4.091 1.00 . A A . 2 SER O 1 1
2 144 1 1 2 SER OG O 10.365 4.429 7.785 1.00 . A A . 2 SER OG 1 1
2 145 1 1 3 DAL C C 6.622 5.645 2.431 1.00 . A A . 3 DAL C 1 1
2 146 1 1 3 DAL CA C 6.900 6.789 3.399 1.00 . A A . 3 DAL CA 1 1
2 147 1 1 3 DAL CB C 5.683 7.711 3.469 1.00 . A A . 3 DAL CB 1 1
2 148 1 1 3 DAL H H 6.549 6.379 5.447 1.00 . A A . 3 DAL H 1 1
2 149 1 1 3 DAL HA H 7.750 7.353 3.044 1.00 . A A . 3 DAL HA 1 1
2 150 1 1 3 DAL HB1 H 4.844 7.231 2.990 1.00 . A A . 3 DAL HB1 1 1
2 151 1 1 3 DAL HB2 H 5.904 8.639 2.963 1.00 . A A . 3 DAL HB2 1 1
2 152 1 1 3 DAL N N 7.197 6.257 4.722 1.00 . A A . 3 DAL N 1 1
2 153 1 1 3 DAL O O 7.391 5.400 1.502 1.00 . A A . 3 DAL O 1 1
2 154 1 1 4 LEU C C 3.634 3.639 1.773 1.00 . A A . 4 LEU C 1 1
2 155 1 1 4 LEU CA C 5.145 3.821 1.806 1.00 . A A . 4 LEU CA 1 1
2 156 1 1 4 LEU CB C 5.820 2.535 2.297 1.00 . A A . 4 LEU CB 1 1
2 157 1 1 4 LEU CD1 C 7.797 1.033 2.011 1.00 . A A . 4 LEU CD1 1 1
2 158 1 1 4 LEU CD2 C 6.681 2.032 0.010 1.00 . A A . 4 LEU CD2 1 1
2 159 1 1 4 LEU CG C 7.078 2.271 1.468 1.00 . A A . 4 LEU CG 1 1
2 160 1 1 4 LEU H H 4.941 5.186 3.420 1.00 . A A . 4 LEU H 1 1
2 161 1 1 4 LEU HA H 5.477 4.019 0.805 1.00 . A A . 4 LEU HA 1 1
2 162 1 1 4 LEU HB2 H 6.094 2.643 3.338 1.00 . A A . 4 LEU HB2 1 1
2 163 1 1 4 LEU HB3 H 5.142 1.703 2.186 1.00 . A A . 4 LEU HB3 1 1
2 164 1 1 4 LEU HD11 H 7.224 0.610 2.823 1.00 . A A . 4 LEU HD11 1 1
2 165 1 1 4 LEU HD12 H 8.777 1.312 2.368 1.00 . A A . 4 LEU HD12 1 1
2 166 1 1 4 LEU HD13 H 7.898 0.299 1.224 1.00 . A A . 4 LEU HD13 1 1
2 167 1 1 4 LEU HD21 H 7.245 1.202 -0.385 1.00 . A A . 4 LEU HD21 1 1
2 168 1 1 4 LEU HD22 H 6.890 2.919 -0.571 1.00 . A A . 4 LEU HD22 1 1
2 169 1 1 4 LEU HD23 H 5.626 1.808 -0.042 1.00 . A A . 4 LEU HD23 1 1
2 170 1 1 4 LEU HG H 7.737 3.126 1.530 1.00 . A A . 4 LEU HG 1 1
2 171 1 1 4 LEU N N 5.515 4.943 2.661 1.00 . A A . 4 LEU N 1 1
2 172 1 1 4 LEU O O 3.001 3.867 0.742 1.00 . A A . 4 LEU O 1 1
2 173 1 1 5 ALA C C 1.075 3.426 4.308 1.00 . A A . 5 ALA C 1 1
2 174 1 1 5 ALA CA C 1.623 3.019 2.945 1.00 . A A . 5 ALA CA 1 1
2 175 1 1 5 ALA CB C 1.321 1.552 2.666 1.00 . A A . 5 ALA CB 1 1
2 176 1 1 5 ALA H H 3.597 3.051 3.688 1.00 . A A . 5 ALA H 1 1
2 177 1 1 5 ALA HA H 1.153 3.622 2.184 1.00 . A A . 5 ALA HA 1 1
2 178 1 1 5 ALA HB1 H 2.057 0.936 3.160 1.00 . A A . 5 ALA HB1 1 1
2 179 1 1 5 ALA HB2 H 1.362 1.376 1.601 1.00 . A A . 5 ALA HB2 1 1
2 180 1 1 5 ALA HB3 H 0.339 1.309 3.036 1.00 . A A . 5 ALA HB3 1 1
2 181 1 1 5 ALA N N 3.056 3.225 2.891 1.00 . A A . 5 ALA N 1 1
2 182 1 1 5 ALA O O -0.119 3.291 4.575 1.00 . A A . 5 ALA O 1 1
2 183 1 1 6 LEU C C 2.238 5.657 6.882 1.00 . A A . 6 LEU C 1 1
2 184 1 1 6 LEU CA C 1.556 4.342 6.502 1.00 . A A . 6 LEU CA 1 1
2 185 1 1 6 LEU CB C 1.913 3.249 7.516 1.00 . A A . 6 LEU CB 1 1
2 186 1 1 6 LEU CD1 C -0.128 1.815 7.324 1.00 . A A . 6 LEU CD1 1 1
2 187 1 1 6 LEU CD2 C 1.036 2.048 9.523 1.00 . A A . 6 LEU CD2 1 1
2 188 1 1 6 LEU CG C 0.646 2.773 8.233 1.00 . A A . 6 LEU CG 1 1
2 189 1 1 6 LEU H H 2.898 4.005 4.899 1.00 . A A . 6 LEU H 1 1
2 190 1 1 6 LEU HA H 0.489 4.491 6.509 1.00 . A A . 6 LEU HA 1 1
2 191 1 1 6 LEU HB2 H 2.366 2.416 6.999 1.00 . A A . 6 LEU HB2 1 1
2 192 1 1 6 LEU HB3 H 2.607 3.639 8.242 1.00 . A A . 6 LEU HB3 1 1
2 193 1 1 6 LEU HD11 H 0.195 1.946 6.303 1.00 . A A . 6 LEU HD11 1 1
2 194 1 1 6 LEU HD12 H -1.186 2.025 7.397 1.00 . A A . 6 LEU HD12 1 1
2 195 1 1 6 LEU HD13 H 0.057 0.796 7.632 1.00 . A A . 6 LEU HD13 1 1
2 196 1 1 6 LEU HD21 H 1.758 2.642 10.064 1.00 . A A . 6 LEU HD21 1 1
2 197 1 1 6 LEU HD22 H 1.468 1.089 9.281 1.00 . A A . 6 LEU HD22 1 1
2 198 1 1 6 LEU HD23 H 0.158 1.905 10.135 1.00 . A A . 6 LEU HD23 1 1
2 199 1 1 6 LEU HG H 0.024 3.624 8.469 1.00 . A A . 6 LEU HG 1 1
2 200 1 1 6 LEU N N 1.958 3.922 5.166 1.00 . A A . 6 LEU N 1 1
2 201 1 1 6 LEU O O 2.820 5.784 7.959 1.00 . A A . 6 LEU O 1 1
2 202 1 1 7 CYS C C 1.699 8.969 6.600 1.00 . A A . 7 CYS C 1 1
2 203 1 1 7 CYS CA C 2.764 7.940 6.238 1.00 . A A . 7 CYS CA 1 1
2 204 1 1 7 CYS CB C 3.525 8.408 4.997 1.00 . A A . 7 CYS CB 1 1
2 205 1 1 7 CYS H H 1.677 6.484 5.146 1.00 . A A . 7 CYS H 1 1
2 206 1 1 7 CYS HA H 3.458 7.851 7.059 1.00 . A A . 7 CYS HA 1 1
2 207 1 1 7 CYS HB2 H 3.145 7.892 4.130 1.00 . A A . 7 CYS HB2 1 1
2 208 1 1 7 CYS HB3 H 3.390 9.472 4.872 1.00 . A A . 7 CYS HB3 1 1
2 209 1 1 7 CYS N N 2.155 6.638 5.988 1.00 . A A . 7 CYS N 1 1
2 210 1 1 7 CYS O O 1.915 10.174 6.466 1.00 . A A . 7 CYS O 1 1
2 211 1 1 7 CYS SG S 5.288 8.044 5.205 1.00 . A A . 7 CYS SG 1 1
2 212 1 1 8 ALA C C -1.072 9.006 8.822 1.00 . A A . 8 ALA C 1 1
2 213 1 1 8 ALA CA C -0.540 9.374 7.441 1.00 . A A . 8 ALA CA 1 1
2 214 1 1 8 ALA CB C -1.670 9.283 6.414 1.00 . A A . 8 ALA CB 1 1
2 215 1 1 8 ALA H H 0.436 7.518 7.146 1.00 . A A . 8 ALA H 1 1
2 216 1 1 8 ALA HA H -0.173 10.389 7.465 1.00 . A A . 8 ALA HA 1 1
2 217 1 1 8 ALA HB1 H -1.835 8.250 6.149 1.00 . A A . 8 ALA HB1 1 1
2 218 1 1 8 ALA HB2 H -1.400 9.842 5.530 1.00 . A A . 8 ALA HB2 1 1
2 219 1 1 8 ALA HB3 H -2.575 9.694 6.836 1.00 . A A . 8 ALA HB3 1 1
2 220 1 1 8 ALA N N 0.552 8.487 7.060 1.00 . A A . 8 ALA N 1 1
2 221 1 1 8 ALA O O -0.849 7.881 9.241 1.00 . A A . 8 ALA O 1 1
2 222 1 1 8 ALA OXT O -1.695 9.853 9.441 1.00 . A A . 8 ALA OXT 1 1
3 223 1 1 1 PHE C C 9.142 7.993 -0.093 1.00 . A A . 1 PHE C 1 1
3 224 1 1 1 PHE CA C 9.510 7.136 -1.302 1.00 . A A . 1 PHE CA 1 1
3 225 1 1 1 PHE CB C 8.643 5.878 -1.345 1.00 . A A . 1 PHE CB 1 1
3 226 1 1 1 PHE CD1 C 9.936 3.763 -0.955 1.00 . A A . 1 PHE CD1 1 1
3 227 1 1 1 PHE CD2 C 9.122 5.018 0.953 1.00 . A A . 1 PHE CD2 1 1
3 228 1 1 1 PHE CE1 C 10.504 2.818 -0.093 1.00 . A A . 1 PHE CE1 1 1
3 229 1 1 1 PHE CE2 C 9.689 4.075 1.817 1.00 . A A . 1 PHE CE2 1 1
3 230 1 1 1 PHE CG C 9.245 4.858 -0.429 1.00 . A A . 1 PHE CG 1 1
3 231 1 1 1 PHE CZ C 10.381 2.976 1.294 1.00 . A A . 1 PHE CZ 1 1
3 232 1 1 1 PHE H1 H 11.526 7.383 -1.768 1.00 . A A . 1 PHE H1 1 1
3 233 1 1 1 PHE H2 H 11.054 5.763 -1.563 1.00 . A A . 1 PHE H2 1 1
3 234 1 1 1 PHE H3 H 11.247 6.771 -0.210 1.00 . A A . 1 PHE H3 1 1
3 235 1 1 1 PHE HA H 9.359 7.707 -2.205 1.00 . A A . 1 PHE HA 1 1
3 236 1 1 1 PHE HB2 H 7.638 6.108 -1.016 1.00 . A A . 1 PHE HB2 1 1
3 237 1 1 1 PHE HB3 H 8.616 5.490 -2.352 1.00 . A A . 1 PHE HB3 1 1
3 238 1 1 1 PHE HD1 H 10.028 3.648 -2.027 1.00 . A A . 1 PHE HD1 1 1
3 239 1 1 1 PHE HD2 H 8.589 5.871 1.350 1.00 . A A . 1 PHE HD2 1 1
3 240 1 1 1 PHE HE1 H 11.040 1.970 -0.497 1.00 . A A . 1 PHE HE1 1 1
3 241 1 1 1 PHE HE2 H 9.591 4.196 2.886 1.00 . A A . 1 PHE HE2 1 1
3 242 1 1 1 PHE HZ H 10.817 2.252 1.959 1.00 . A A . 1 PHE HZ 1 1
3 243 1 1 1 PHE N N 10.943 6.734 -1.203 1.00 . A A . 1 PHE N 1 1
3 244 1 1 1 PHE O O 9.656 7.791 1.008 1.00 . A A . 1 PHE O 1 1
3 245 1 1 2 SER C C 6.853 9.177 1.704 1.00 . A A . 2 SER C 1 1
3 246 1 1 2 SER CA C 7.826 9.862 0.746 1.00 . A A . 2 SER CA 1 1
3 247 1 1 2 SER CB C 7.160 11.095 0.131 1.00 . A A . 2 SER CB 1 1
3 248 1 1 2 SER H H 7.897 9.068 -1.215 1.00 . A A . 2 SER H 1 1
3 249 1 1 2 SER HA H 8.694 10.183 1.302 1.00 . A A . 2 SER HA 1 1
3 250 1 1 2 SER HB2 H 6.772 10.847 -0.843 1.00 . A A . 2 SER HB2 1 1
3 251 1 1 2 SER HB3 H 6.347 11.420 0.767 1.00 . A A . 2 SER HB3 1 1
3 252 1 1 2 SER HG H 8.593 12.208 0.832 1.00 . A A . 2 SER HG 1 1
3 253 1 1 2 SER N N 8.257 8.957 -0.316 1.00 . A A . 2 SER N 1 1
3 254 1 1 2 SER O O 5.898 9.793 2.178 1.00 . A A . 2 SER O 1 1
3 255 1 1 2 SER OG O 8.121 12.134 0.000 1.00 . A A . 2 SER OG 1 1
3 256 1 1 3 DAL C C 6.417 5.651 2.691 1.00 . A A . 3 DAL C 1 1
3 257 1 1 3 DAL CA C 6.244 7.151 2.904 1.00 . A A . 3 DAL CA 1 1
3 258 1 1 3 DAL CB C 6.587 7.500 4.354 1.00 . A A . 3 DAL CB 1 1
3 259 1 1 3 DAL H H 7.882 7.467 1.588 1.00 . A A . 3 DAL H 1 1
3 260 1 1 3 DAL HA H 5.214 7.416 2.716 1.00 . A A . 3 DAL HA 1 1
3 261 1 1 3 DAL HB1 H 6.424 8.555 4.518 1.00 . A A . 3 DAL HB1 1 1
3 262 1 1 3 DAL HB2 H 7.622 7.262 4.546 1.00 . A A . 3 DAL HB2 1 1
3 263 1 1 3 DAL N N 7.105 7.905 1.991 1.00 . A A . 3 DAL N 1 1
3 264 1 1 3 DAL O O 7.449 5.082 3.043 1.00 . A A . 3 DAL O 1 1
3 265 1 1 4 LEU C C 4.054 2.985 1.914 1.00 . A A . 4 LEU C 1 1
3 266 1 1 4 LEU CA C 5.445 3.578 1.867 1.00 . A A . 4 LEU CA 1 1
3 267 1 1 4 LEU CB C 6.351 2.891 2.898 1.00 . A A . 4 LEU CB 1 1
3 268 1 1 4 LEU CD1 C 6.035 0.737 1.670 1.00 . A A . 4 LEU CD1 1 1
3 269 1 1 4 LEU CD2 C 6.944 0.733 3.998 1.00 . A A . 4 LEU CD2 1 1
3 270 1 1 4 LEU CG C 5.967 1.415 3.039 1.00 . A A . 4 LEU CG 1 1
3 271 1 1 4 LEU H H 4.596 5.523 1.866 1.00 . A A . 4 LEU H 1 1
3 272 1 1 4 LEU HA H 5.847 3.406 0.889 1.00 . A A . 4 LEU HA 1 1
3 273 1 1 4 LEU HB2 H 7.373 2.957 2.568 1.00 . A A . 4 LEU HB2 1 1
3 274 1 1 4 LEU HB3 H 6.254 3.380 3.855 1.00 . A A . 4 LEU HB3 1 1
3 275 1 1 4 LEU HD11 H 6.623 1.343 0.996 1.00 . A A . 4 LEU HD11 1 1
3 276 1 1 4 LEU HD12 H 5.037 0.625 1.273 1.00 . A A . 4 LEU HD12 1 1
3 277 1 1 4 LEU HD13 H 6.493 -0.236 1.772 1.00 . A A . 4 LEU HD13 1 1
3 278 1 1 4 LEU HD21 H 7.398 1.476 4.637 1.00 . A A . 4 LEU HD21 1 1
3 279 1 1 4 LEU HD22 H 7.714 0.227 3.433 1.00 . A A . 4 LEU HD22 1 1
3 280 1 1 4 LEU HD23 H 6.411 0.015 4.604 1.00 . A A . 4 LEU HD23 1 1
3 281 1 1 4 LEU HG H 4.964 1.337 3.432 1.00 . A A . 4 LEU HG 1 1
3 282 1 1 4 LEU N N 5.397 5.016 2.120 1.00 . A A . 4 LEU N 1 1
3 283 1 1 4 LEU O O 3.622 2.308 0.980 1.00 . A A . 4 LEU O 1 1
3 284 1 1 5 ALA C C 1.137 3.716 3.890 1.00 . A A . 5 ALA C 1 1
3 285 1 1 5 ALA CA C 2.018 2.714 3.159 1.00 . A A . 5 ALA CA 1 1
3 286 1 1 5 ALA CB C 2.084 1.406 3.931 1.00 . A A . 5 ALA CB 1 1
3 287 1 1 5 ALA H H 3.755 3.776 3.716 1.00 . A A . 5 ALA H 1 1
3 288 1 1 5 ALA HA H 1.599 2.522 2.183 1.00 . A A . 5 ALA HA 1 1
3 289 1 1 5 ALA HB1 H 2.432 1.600 4.933 1.00 . A A . 5 ALA HB1 1 1
3 290 1 1 5 ALA HB2 H 2.772 0.736 3.434 1.00 . A A . 5 ALA HB2 1 1
3 291 1 1 5 ALA HB3 H 1.105 0.958 3.966 1.00 . A A . 5 ALA HB3 1 1
3 292 1 1 5 ALA N N 3.359 3.235 3.003 1.00 . A A . 5 ALA N 1 1
3 293 1 1 5 ALA O O 0.107 4.149 3.372 1.00 . A A . 5 ALA O 1 1
3 294 1 1 6 LEU C C 1.693 5.816 6.834 1.00 . A A . 6 LEU C 1 1
3 295 1 1 6 LEU CA C 0.782 5.038 5.886 1.00 . A A . 6 LEU CA 1 1
3 296 1 1 6 LEU CB C -0.294 4.302 6.684 1.00 . A A . 6 LEU CB 1 1
3 297 1 1 6 LEU CD1 C 1.456 2.958 7.849 1.00 . A A . 6 LEU CD1 1 1
3 298 1 1 6 LEU CD2 C -0.904 2.145 7.784 1.00 . A A . 6 LEU CD2 1 1
3 299 1 1 6 LEU CG C 0.185 2.886 7.005 1.00 . A A . 6 LEU CG 1 1
3 300 1 1 6 LEU H H 2.376 3.708 5.462 1.00 . A A . 6 LEU H 1 1
3 301 1 1 6 LEU HA H 0.303 5.733 5.213 1.00 . A A . 6 LEU HA 1 1
3 302 1 1 6 LEU HB2 H -0.490 4.836 7.604 1.00 . A A . 6 LEU HB2 1 1
3 303 1 1 6 LEU HB3 H -1.200 4.248 6.100 1.00 . A A . 6 LEU HB3 1 1
3 304 1 1 6 LEU HD11 H 2.226 3.478 7.298 1.00 . A A . 6 LEU HD11 1 1
3 305 1 1 6 LEU HD12 H 1.792 1.958 8.081 1.00 . A A . 6 LEU HD12 1 1
3 306 1 1 6 LEU HD13 H 1.248 3.490 8.767 1.00 . A A . 6 LEU HD13 1 1
3 307 1 1 6 LEU HD21 H -1.643 2.852 8.131 1.00 . A A . 6 LEU HD21 1 1
3 308 1 1 6 LEU HD22 H -0.462 1.641 8.632 1.00 . A A . 6 LEU HD22 1 1
3 309 1 1 6 LEU HD23 H -1.377 1.418 7.140 1.00 . A A . 6 LEU HD23 1 1
3 310 1 1 6 LEU HG H 0.394 2.360 6.082 1.00 . A A . 6 LEU HG 1 1
3 311 1 1 6 LEU N N 1.547 4.083 5.098 1.00 . A A . 6 LEU N 1 1
3 312 1 1 6 LEU O O 1.596 5.677 8.053 1.00 . A A . 6 LEU O 1 1
3 313 1 1 7 CYS C C 2.773 8.618 7.701 1.00 . A A . 7 CYS C 1 1
3 314 1 1 7 CYS CA C 3.497 7.430 7.074 1.00 . A A . 7 CYS CA 1 1
3 315 1 1 7 CYS CB C 4.646 7.944 6.204 1.00 . A A . 7 CYS CB 1 1
3 316 1 1 7 CYS H H 2.609 6.705 5.289 1.00 . A A . 7 CYS H 1 1
3 317 1 1 7 CYS HA H 3.903 6.810 7.860 1.00 . A A . 7 CYS HA 1 1
3 318 1 1 7 CYS HB2 H 4.248 8.567 5.417 1.00 . A A . 7 CYS HB2 1 1
3 319 1 1 7 CYS HB3 H 5.325 8.522 6.813 1.00 . A A . 7 CYS HB3 1 1
3 320 1 1 7 CYS N N 2.576 6.634 6.268 1.00 . A A . 7 CYS N 1 1
3 321 1 1 7 CYS O O 3.315 9.305 8.568 1.00 . A A . 7 CYS O 1 1
3 322 1 1 7 CYS SG S 5.530 6.545 5.474 1.00 . A A . 7 CYS SG 1 1
3 323 1 1 8 ALA C C -0.633 9.476 8.180 1.00 . A A . 8 ALA C 1 1
3 324 1 1 8 ALA CA C 0.750 9.963 7.764 1.00 . A A . 8 ALA CA 1 1
3 325 1 1 8 ALA CB C 0.610 11.044 6.691 1.00 . A A . 8 ALA CB 1 1
3 326 1 1 8 ALA H H 1.169 8.276 6.555 1.00 . A A . 8 ALA H 1 1
3 327 1 1 8 ALA HA H 1.247 10.386 8.622 1.00 . A A . 8 ALA HA 1 1
3 328 1 1 8 ALA HB1 H -0.046 10.692 5.908 1.00 . A A . 8 ALA HB1 1 1
3 329 1 1 8 ALA HB2 H 1.583 11.265 6.273 1.00 . A A . 8 ALA HB2 1 1
3 330 1 1 8 ALA HB3 H 0.196 11.938 7.132 1.00 . A A . 8 ALA HB3 1 1
3 331 1 1 8 ALA N N 1.547 8.855 7.250 1.00 . A A . 8 ALA N 1 1
3 332 1 1 8 ALA O O -0.900 8.298 8.012 1.00 . A A . 8 ALA O 1 1
3 333 1 1 8 ALA OXT O -1.405 10.291 8.656 1.00 . A A . 8 ALA OXT 1 1
4 334 1 1 1 PHE C C 11.910 7.622 1.193 1.00 . A A . 1 PHE C 1 1
4 335 1 1 1 PHE CA C 13.013 6.639 0.818 1.00 . A A . 1 PHE CA 1 1
4 336 1 1 1 PHE CB C 13.055 5.490 1.832 1.00 . A A . 1 PHE CB 1 1
4 337 1 1 1 PHE CD1 C 13.439 3.671 0.128 1.00 . A A . 1 PHE CD1 1 1
4 338 1 1 1 PHE CD2 C 11.486 3.536 1.558 1.00 . A A . 1 PHE CD2 1 1
4 339 1 1 1 PHE CE1 C 13.064 2.476 -0.497 1.00 . A A . 1 PHE CE1 1 1
4 340 1 1 1 PHE CE2 C 11.109 2.342 0.932 1.00 . A A . 1 PHE CE2 1 1
4 341 1 1 1 PHE CG C 12.649 4.201 1.155 1.00 . A A . 1 PHE CG 1 1
4 342 1 1 1 PHE CZ C 11.899 1.811 -0.095 1.00 . A A . 1 PHE CZ 1 1
4 343 1 1 1 PHE H1 H 14.513 7.723 -0.135 1.00 . A A . 1 PHE H1 1 1
4 344 1 1 1 PHE H2 H 15.078 6.681 1.082 1.00 . A A . 1 PHE H2 1 1
4 345 1 1 1 PHE H3 H 14.296 8.132 1.496 1.00 . A A . 1 PHE H3 1 1
4 346 1 1 1 PHE HA H 12.820 6.242 -0.167 1.00 . A A . 1 PHE HA 1 1
4 347 1 1 1 PHE HB2 H 14.058 5.392 2.223 1.00 . A A . 1 PHE HB2 1 1
4 348 1 1 1 PHE HB3 H 12.371 5.700 2.642 1.00 . A A . 1 PHE HB3 1 1
4 349 1 1 1 PHE HD1 H 14.338 4.184 -0.183 1.00 . A A . 1 PHE HD1 1 1
4 350 1 1 1 PHE HD2 H 10.876 3.945 2.350 1.00 . A A . 1 PHE HD2 1 1
4 351 1 1 1 PHE HE1 H 13.672 2.068 -1.291 1.00 . A A . 1 PHE HE1 1 1
4 352 1 1 1 PHE HE2 H 10.212 1.828 1.243 1.00 . A A . 1 PHE HE2 1 1
4 353 1 1 1 PHE HZ H 11.610 0.889 -0.578 1.00 . A A . 1 PHE HZ 1 1
4 354 1 1 1 PHE N N 14.324 7.347 0.815 1.00 . A A . 1 PHE N 1 1
4 355 1 1 1 PHE O O 12.110 8.504 2.028 1.00 . A A . 1 PHE O 1 1
4 356 1 1 2 SER C C 8.376 7.530 1.191 1.00 . A A . 2 SER C 1 1
4 357 1 1 2 SER CA C 9.618 8.345 0.845 1.00 . A A . 2 SER CA 1 1
4 358 1 1 2 SER CB C 9.330 9.223 -0.374 1.00 . A A . 2 SER CB 1 1
4 359 1 1 2 SER H H 10.646 6.745 -0.089 1.00 . A A . 2 SER H 1 1
4 360 1 1 2 SER HA H 9.865 8.981 1.681 1.00 . A A . 2 SER HA 1 1
4 361 1 1 2 SER HB2 H 8.823 10.120 -0.063 1.00 . A A . 2 SER HB2 1 1
4 362 1 1 2 SER HB3 H 10.264 9.487 -0.853 1.00 . A A . 2 SER HB3 1 1
4 363 1 1 2 SER HG H 8.072 7.800 -0.796 1.00 . A A . 2 SER HG 1 1
4 364 1 1 2 SER N N 10.747 7.465 0.568 1.00 . A A . 2 SER N 1 1
4 365 1 1 2 SER O O 8.125 6.480 0.601 1.00 . A A . 2 SER O 1 1
4 366 1 1 2 SER OG O 8.503 8.508 -1.281 1.00 . A A . 2 SER OG 1 1
4 367 1 1 3 DAL C C 6.572 5.818 2.475 1.00 . A A . 3 DAL C 1 1
4 368 1 1 3 DAL CA C 6.391 7.330 2.577 1.00 . A A . 3 DAL CA 1 1
4 369 1 1 3 DAL CB C 6.049 7.719 4.017 1.00 . A A . 3 DAL CB 1 1
4 370 1 1 3 DAL H H 7.856 8.862 2.592 1.00 . A A . 3 DAL H 1 1
4 371 1 1 3 DAL HA H 5.577 7.629 1.933 1.00 . A A . 3 DAL HA 1 1
4 372 1 1 3 DAL HB1 H 5.700 8.741 4.040 1.00 . A A . 3 DAL HB1 1 1
4 373 1 1 3 DAL HB2 H 6.931 7.627 4.633 1.00 . A A . 3 DAL HB2 1 1
4 374 1 1 3 DAL N N 7.604 8.021 2.156 1.00 . A A . 3 DAL N 1 1
4 375 1 1 3 DAL O O 7.691 5.311 2.552 1.00 . A A . 3 DAL O 1 1
4 376 1 1 4 LEU C C 4.096 3.087 2.094 1.00 . A A . 4 LEU C 1 1
4 377 1 1 4 LEU CA C 5.502 3.648 2.184 1.00 . A A . 4 LEU CA 1 1
4 378 1 1 4 LEU CB C 6.227 3.033 3.387 1.00 . A A . 4 LEU CB 1 1
4 379 1 1 4 LEU CD1 C 8.564 2.597 4.159 1.00 . A A . 4 LEU CD1 1 1
4 380 1 1 4 LEU CD2 C 7.510 1.101 2.461 1.00 . A A . 4 LEU CD2 1 1
4 381 1 1 4 LEU CG C 7.614 2.542 2.962 1.00 . A A . 4 LEU CG 1 1
4 382 1 1 4 LEU H H 4.599 5.564 2.246 1.00 . A A . 4 LEU H 1 1
4 383 1 1 4 LEU HA H 6.026 3.378 1.288 1.00 . A A . 4 LEU HA 1 1
4 384 1 1 4 LEU HB2 H 6.332 3.778 4.164 1.00 . A A . 4 LEU HB2 1 1
4 385 1 1 4 LEU HB3 H 5.656 2.198 3.764 1.00 . A A . 4 LEU HB3 1 1
4 386 1 1 4 LEU HD11 H 8.083 2.156 5.020 1.00 . A A . 4 LEU HD11 1 1
4 387 1 1 4 LEU HD12 H 8.814 3.625 4.374 1.00 . A A . 4 LEU HD12 1 1
4 388 1 1 4 LEU HD13 H 9.465 2.048 3.930 1.00 . A A . 4 LEU HD13 1 1
4 389 1 1 4 LEU HD21 H 6.528 0.936 2.042 1.00 . A A . 4 LEU HD21 1 1
4 390 1 1 4 LEU HD22 H 7.668 0.422 3.285 1.00 . A A . 4 LEU HD22 1 1
4 391 1 1 4 LEU HD23 H 8.259 0.927 1.702 1.00 . A A . 4 LEU HD23 1 1
4 392 1 1 4 LEU HG H 7.997 3.174 2.172 1.00 . A A . 4 LEU HG 1 1
4 393 1 1 4 LEU N N 5.463 5.103 2.300 1.00 . A A . 4 LEU N 1 1
4 394 1 1 4 LEU O O 3.726 2.472 1.094 1.00 . A A . 4 LEU O 1 1
4 395 1 1 5 ALA C C 1.044 3.790 3.875 1.00 . A A . 5 ALA C 1 1
4 396 1 1 5 ALA CA C 1.956 2.803 3.157 1.00 . A A . 5 ALA CA 1 1
4 397 1 1 5 ALA CB C 1.931 1.447 3.850 1.00 . A A . 5 ALA CB 1 1
4 398 1 1 5 ALA H H 3.662 3.795 3.909 1.00 . A A . 5 ALA H 1 1
4 399 1 1 5 ALA HA H 1.612 2.683 2.142 1.00 . A A . 5 ALA HA 1 1
4 400 1 1 5 ALA HB1 H 2.373 0.706 3.199 1.00 . A A . 5 ALA HB1 1 1
4 401 1 1 5 ALA HB2 H 0.913 1.174 4.072 1.00 . A A . 5 ALA HB2 1 1
4 402 1 1 5 ALA HB3 H 2.501 1.505 4.766 1.00 . A A . 5 ALA HB3 1 1
4 403 1 1 5 ALA N N 3.317 3.298 3.138 1.00 . A A . 5 ALA N 1 1
4 404 1 1 5 ALA O O 0.071 4.284 3.306 1.00 . A A . 5 ALA O 1 1
4 405 1 1 6 LEU C C 1.496 5.832 6.836 1.00 . A A . 6 LEU C 1 1
4 406 1 1 6 LEU CA C 0.589 5.017 5.919 1.00 . A A . 6 LEU CA 1 1
4 407 1 1 6 LEU CB C -0.451 4.264 6.754 1.00 . A A . 6 LEU CB 1 1
4 408 1 1 6 LEU CD1 C 1.154 3.290 8.409 1.00 . A A . 6 LEU CD1 1 1
4 409 1 1 6 LEU CD2 C -0.959 2.079 7.851 1.00 . A A . 6 LEU CD2 1 1
4 410 1 1 6 LEU CG C 0.157 2.967 7.294 1.00 . A A . 6 LEU CG 1 1
4 411 1 1 6 LEU H H 2.165 3.657 5.527 1.00 . A A . 6 LEU H 1 1
4 412 1 1 6 LEU HA H 0.075 5.691 5.249 1.00 . A A . 6 LEU HA 1 1
4 413 1 1 6 LEU HB2 H -0.765 4.885 7.580 1.00 . A A . 6 LEU HB2 1 1
4 414 1 1 6 LEU HB3 H -1.304 4.029 6.137 1.00 . A A . 6 LEU HB3 1 1
4 415 1 1 6 LEU HD11 H 0.767 4.095 9.017 1.00 . A A . 6 LEU HD11 1 1
4 416 1 1 6 LEU HD12 H 2.097 3.588 7.975 1.00 . A A . 6 LEU HD12 1 1
4 417 1 1 6 LEU HD13 H 1.302 2.415 9.024 1.00 . A A . 6 LEU HD13 1 1
4 418 1 1 6 LEU HD21 H -0.525 1.234 8.365 1.00 . A A . 6 LEU HD21 1 1
4 419 1 1 6 LEU HD22 H -1.578 1.728 7.038 1.00 . A A . 6 LEU HD22 1 1
4 420 1 1 6 LEU HD23 H -1.562 2.650 8.541 1.00 . A A . 6 LEU HD23 1 1
4 421 1 1 6 LEU HG H 0.667 2.448 6.496 1.00 . A A . 6 LEU HG 1 1
4 422 1 1 6 LEU N N 1.375 4.080 5.129 1.00 . A A . 6 LEU N 1 1
4 423 1 1 6 LEU O O 1.201 6.014 8.017 1.00 . A A . 6 LEU O 1 1
4 424 1 1 7 CYS C C 3.088 8.564 7.146 1.00 . A A . 7 CYS C 1 1
4 425 1 1 7 CYS CA C 3.550 7.113 7.053 1.00 . A A . 7 CYS CA 1 1
4 426 1 1 7 CYS CB C 4.931 7.058 6.399 1.00 . A A . 7 CYS CB 1 1
4 427 1 1 7 CYS H H 2.784 6.143 5.335 1.00 . A A . 7 CYS H 1 1
4 428 1 1 7 CYS HA H 3.620 6.703 8.049 1.00 . A A . 7 CYS HA 1 1
4 429 1 1 7 CYS HB2 H 5.407 8.023 6.484 1.00 . A A . 7 CYS HB2 1 1
4 430 1 1 7 CYS HB3 H 5.534 6.313 6.895 1.00 . A A . 7 CYS HB3 1 1
4 431 1 1 7 CYS N N 2.602 6.320 6.281 1.00 . A A . 7 CYS N 1 1
4 432 1 1 7 CYS O O 3.016 9.134 8.235 1.00 . A A . 7 CYS O 1 1
4 433 1 1 7 CYS SG S 4.755 6.624 4.650 1.00 . A A . 7 CYS SG 1 1
4 434 1 1 8 ALA C C 1.013 10.658 5.199 1.00 . A A . 8 ALA C 1 1
4 435 1 1 8 ALA CA C 2.327 10.541 5.963 1.00 . A A . 8 ALA CA 1 1
4 436 1 1 8 ALA CB C 3.386 11.419 5.294 1.00 . A A . 8 ALA CB 1 1
4 437 1 1 8 ALA H H 2.856 8.652 5.160 1.00 . A A . 8 ALA H 1 1
4 438 1 1 8 ALA HA H 2.176 10.886 6.974 1.00 . A A . 8 ALA HA 1 1
4 439 1 1 8 ALA HB1 H 3.177 12.457 5.501 1.00 . A A . 8 ALA HB1 1 1
4 440 1 1 8 ALA HB2 H 3.367 11.254 4.227 1.00 . A A . 8 ALA HB2 1 1
4 441 1 1 8 ALA HB3 H 4.362 11.163 5.680 1.00 . A A . 8 ALA HB3 1 1
4 442 1 1 8 ALA N N 2.778 9.156 5.998 1.00 . A A . 8 ALA N 1 1
4 443 1 1 8 ALA O O -0.010 10.829 5.841 1.00 . A A . 8 ALA O 1 1
4 444 1 1 8 ALA OXT O 1.048 10.577 3.982 1.00 . A A . 8 ALA OXT 1 1
5 445 1 1 1 PHE C C 12.457 7.519 3.237 1.00 . A A . 1 PHE C 1 1
5 446 1 1 1 PHE CA C 13.570 6.982 2.342 1.00 . A A . 1 PHE CA 1 1
5 447 1 1 1 PHE CB C 14.245 5.782 3.010 1.00 . A A . 1 PHE CB 1 1
5 448 1 1 1 PHE CD1 C 12.679 3.976 3.813 1.00 . A A . 1 PHE CD1 1 1
5 449 1 1 1 PHE CD2 C 13.397 3.954 1.496 1.00 . A A . 1 PHE CD2 1 1
5 450 1 1 1 PHE CE1 C 11.914 2.826 3.586 1.00 . A A . 1 PHE CE1 1 1
5 451 1 1 1 PHE CE2 C 12.632 2.803 1.271 1.00 . A A . 1 PHE CE2 1 1
5 452 1 1 1 PHE CG C 13.420 4.541 2.768 1.00 . A A . 1 PHE CG 1 1
5 453 1 1 1 PHE CZ C 11.891 2.239 2.316 1.00 . A A . 1 PHE CZ 1 1
5 454 1 1 1 PHE H1 H 15.447 7.636 1.723 1.00 . A A . 1 PHE H1 1 1
5 455 1 1 1 PHE H2 H 14.798 8.518 3.023 1.00 . A A . 1 PHE H2 1 1
5 456 1 1 1 PHE H3 H 14.201 8.754 1.450 1.00 . A A . 1 PHE H3 1 1
5 457 1 1 1 PHE HA H 13.155 6.676 1.393 1.00 . A A . 1 PHE HA 1 1
5 458 1 1 1 PHE HB2 H 15.232 5.646 2.595 1.00 . A A . 1 PHE HB2 1 1
5 459 1 1 1 PHE HB3 H 14.323 5.958 4.073 1.00 . A A . 1 PHE HB3 1 1
5 460 1 1 1 PHE HD1 H 12.697 4.429 4.793 1.00 . A A . 1 PHE HD1 1 1
5 461 1 1 1 PHE HD2 H 13.968 4.389 0.690 1.00 . A A . 1 PHE HD2 1 1
5 462 1 1 1 PHE HE1 H 11.342 2.391 4.393 1.00 . A A . 1 PHE HE1 1 1
5 463 1 1 1 PHE HE2 H 12.614 2.351 0.290 1.00 . A A . 1 PHE HE2 1 1
5 464 1 1 1 PHE HZ H 11.301 1.351 2.142 1.00 . A A . 1 PHE HZ 1 1
5 465 1 1 1 PHE N N 14.580 8.053 2.117 1.00 . A A . 1 PHE N 1 1
5 466 1 1 1 PHE O O 12.698 7.882 4.388 1.00 . A A . 1 PHE O 1 1
5 467 1 1 2 SER C C 8.790 7.585 2.865 1.00 . A A . 2 SER C 1 1
5 468 1 1 2 SER CA C 10.105 8.067 3.471 1.00 . A A . 2 SER CA 1 1
5 469 1 1 2 SER CB C 10.126 9.596 3.501 1.00 . A A . 2 SER CB 1 1
5 470 1 1 2 SER H H 11.102 7.267 1.782 1.00 . A A . 2 SER H 1 1
5 471 1 1 2 SER HA H 10.178 7.698 4.484 1.00 . A A . 2 SER HA 1 1
5 472 1 1 2 SER HB2 H 9.164 9.978 3.204 1.00 . A A . 2 SER HB2 1 1
5 473 1 1 2 SER HB3 H 10.350 9.932 4.505 1.00 . A A . 2 SER HB3 1 1
5 474 1 1 2 SER HG H 11.215 11.014 2.735 1.00 . A A . 2 SER HG 1 1
5 475 1 1 2 SER N N 11.240 7.569 2.705 1.00 . A A . 2 SER N 1 1
5 476 1 1 2 SER O O 8.716 7.296 1.671 1.00 . A A . 2 SER O 1 1
5 477 1 1 2 SER OG O 11.116 10.069 2.597 1.00 . A A . 2 SER OG 1 1
5 478 1 1 3 DAL C C 6.531 5.642 2.671 1.00 . A A . 3 DAL C 1 1
5 479 1 1 3 DAL CA C 6.448 7.057 3.235 1.00 . A A . 3 DAL CA 1 1
5 480 1 1 3 DAL CB C 5.449 7.083 4.392 1.00 . A A . 3 DAL CB 1 1
5 481 1 1 3 DAL H H 7.877 7.747 4.639 1.00 . A A . 3 DAL H 1 1
5 482 1 1 3 DAL HA H 6.103 7.724 2.461 1.00 . A A . 3 DAL HA 1 1
5 483 1 1 3 DAL HB1 H 5.746 6.364 5.141 1.00 . A A . 3 DAL HB1 1 1
5 484 1 1 3 DAL HB2 H 4.466 6.833 4.024 1.00 . A A . 3 DAL HB2 1 1
5 485 1 1 3 DAL N N 7.758 7.502 3.697 1.00 . A A . 3 DAL N 1 1
5 486 1 1 3 DAL O O 7.619 5.096 2.501 1.00 . A A . 3 DAL O 1 1
5 487 1 1 4 LEU C C 3.864 3.207 1.815 1.00 . A A . 4 LEU C 1 1
5 488 1 1 4 LEU CA C 5.299 3.708 1.831 1.00 . A A . 4 LEU CA 1 1
5 489 1 1 4 LEU CB C 6.178 2.746 2.645 1.00 . A A . 4 LEU CB 1 1
5 490 1 1 4 LEU CD1 C 8.289 2.931 1.308 1.00 . A A . 4 LEU CD1 1 1
5 491 1 1 4 LEU CD2 C 7.699 0.777 2.424 1.00 . A A . 4 LEU CD2 1 1
5 492 1 1 4 LEU CG C 7.137 2.006 1.707 1.00 . A A . 4 LEU CG 1 1
5 493 1 1 4 LEU H H 4.537 5.560 2.534 1.00 . A A . 4 LEU H 1 1
5 494 1 1 4 LEU HA H 5.654 3.724 0.820 1.00 . A A . 4 LEU HA 1 1
5 495 1 1 4 LEU HB2 H 6.744 3.301 3.377 1.00 . A A . 4 LEU HB2 1 1
5 496 1 1 4 LEU HB3 H 5.553 2.024 3.148 1.00 . A A . 4 LEU HB3 1 1
5 497 1 1 4 LEU HD11 H 8.981 2.391 0.680 1.00 . A A . 4 LEU HD11 1 1
5 498 1 1 4 LEU HD12 H 8.800 3.273 2.195 1.00 . A A . 4 LEU HD12 1 1
5 499 1 1 4 LEU HD13 H 7.898 3.779 0.765 1.00 . A A . 4 LEU HD13 1 1
5 500 1 1 4 LEU HD21 H 7.122 -0.095 2.150 1.00 . A A . 4 LEU HD21 1 1
5 501 1 1 4 LEU HD22 H 7.641 0.925 3.492 1.00 . A A . 4 LEU HD22 1 1
5 502 1 1 4 LEU HD23 H 8.730 0.631 2.136 1.00 . A A . 4 LEU HD23 1 1
5 503 1 1 4 LEU HG H 6.603 1.696 0.821 1.00 . A A . 4 LEU HG 1 1
5 504 1 1 4 LEU N N 5.367 5.063 2.381 1.00 . A A . 4 LEU N 1 1
5 505 1 1 4 LEU O O 3.353 2.811 0.768 1.00 . A A . 4 LEU O 1 1
5 506 1 1 5 ALA C C 1.038 3.560 4.047 1.00 . A A . 5 ALA C 1 1
5 507 1 1 5 ALA CA C 1.847 2.743 3.043 1.00 . A A . 5 ALA CA 1 1
5 508 1 1 5 ALA CB C 1.853 1.271 3.432 1.00 . A A . 5 ALA CB 1 1
5 509 1 1 5 ALA H H 3.660 3.533 3.784 1.00 . A A . 5 ALA H 1 1
5 510 1 1 5 ALA HA H 1.393 2.841 2.069 1.00 . A A . 5 ALA HA 1 1
5 511 1 1 5 ALA HB1 H 0.892 1.001 3.834 1.00 . A A . 5 ALA HB1 1 1
5 512 1 1 5 ALA HB2 H 2.620 1.103 4.174 1.00 . A A . 5 ALA HB2 1 1
5 513 1 1 5 ALA HB3 H 2.064 0.674 2.557 1.00 . A A . 5 ALA HB3 1 1
5 514 1 1 5 ALA N N 3.216 3.214 2.971 1.00 . A A . 5 ALA N 1 1
5 515 1 1 5 ALA O O -0.142 3.834 3.829 1.00 . A A . 5 ALA O 1 1
5 516 1 1 6 LEU C C 1.982 5.700 6.838 1.00 . A A . 6 LEU C 1 1
5 517 1 1 6 LEU CA C 1.005 4.736 6.171 1.00 . A A . 6 LEU CA 1 1
5 518 1 1 6 LEU CB C 0.396 3.812 7.228 1.00 . A A . 6 LEU CB 1 1
5 519 1 1 6 LEU CD1 C 2.565 2.619 7.581 1.00 . A A . 6 LEU CD1 1 1
5 520 1 1 6 LEU CD2 C 0.412 1.499 8.170 1.00 . A A . 6 LEU CD2 1 1
5 521 1 1 6 LEU CG C 1.096 2.453 7.187 1.00 . A A . 6 LEU CG 1 1
5 522 1 1 6 LEU H H 2.620 3.702 5.266 1.00 . A A . 6 LEU H 1 1
5 523 1 1 6 LEU HA H 0.212 5.305 5.710 1.00 . A A . 6 LEU HA 1 1
5 524 1 1 6 LEU HB2 H 0.523 4.253 8.207 1.00 . A A . 6 LEU HB2 1 1
5 525 1 1 6 LEU HB3 H -0.656 3.679 7.027 1.00 . A A . 6 LEU HB3 1 1
5 526 1 1 6 LEU HD11 H 2.628 2.952 8.606 1.00 . A A . 6 LEU HD11 1 1
5 527 1 1 6 LEU HD12 H 3.030 3.351 6.936 1.00 . A A . 6 LEU HD12 1 1
5 528 1 1 6 LEU HD13 H 3.075 1.672 7.478 1.00 . A A . 6 LEU HD13 1 1
5 529 1 1 6 LEU HD21 H 0.676 1.773 9.181 1.00 . A A . 6 LEU HD21 1 1
5 530 1 1 6 LEU HD22 H 0.735 0.488 7.975 1.00 . A A . 6 LEU HD22 1 1
5 531 1 1 6 LEU HD23 H -0.660 1.565 8.048 1.00 . A A . 6 LEU HD23 1 1
5 532 1 1 6 LEU HG H 1.034 2.046 6.188 1.00 . A A . 6 LEU HG 1 1
5 533 1 1 6 LEU N N 1.679 3.948 5.144 1.00 . A A . 6 LEU N 1 1
5 534 1 1 6 LEU O O 2.306 5.552 8.017 1.00 . A A . 6 LEU O 1 1
5 535 1 1 7 CYS C C 2.828 8.305 7.878 1.00 . A A . 7 CYS C 1 1
5 536 1 1 7 CYS CA C 3.387 7.667 6.610 1.00 . A A . 7 CYS CA 1 1
5 537 1 1 7 CYS CB C 3.660 8.752 5.565 1.00 . A A . 7 CYS CB 1 1
5 538 1 1 7 CYS H H 2.157 6.756 5.146 1.00 . A A . 7 CYS H 1 1
5 539 1 1 7 CYS HA H 4.315 7.171 6.848 1.00 . A A . 7 CYS HA 1 1
5 540 1 1 7 CYS HB2 H 3.067 8.560 4.683 1.00 . A A . 7 CYS HB2 1 1
5 541 1 1 7 CYS HB3 H 3.399 9.718 5.970 1.00 . A A . 7 CYS HB3 1 1
5 542 1 1 7 CYS N N 2.449 6.686 6.078 1.00 . A A . 7 CYS N 1 1
5 543 1 1 7 CYS O O 3.579 8.683 8.779 1.00 . A A . 7 CYS O 1 1
5 544 1 1 7 CYS SG S 5.416 8.737 5.125 1.00 . A A . 7 CYS SG 1 1
5 545 1 1 8 ALA C C 1.445 8.456 10.394 1.00 . A A . 8 ALA C 1 1
5 546 1 1 8 ALA CA C 0.854 9.016 9.102 1.00 . A A . 8 ALA CA 1 1
5 547 1 1 8 ALA CB C -0.648 8.729 9.060 1.00 . A A . 8 ALA CB 1 1
5 548 1 1 8 ALA H H 0.959 8.103 7.193 1.00 . A A . 8 ALA H 1 1
5 549 1 1 8 ALA HA H 1.006 10.084 9.082 1.00 . A A . 8 ALA HA 1 1
5 550 1 1 8 ALA HB1 H -1.006 8.840 8.048 1.00 . A A . 8 ALA HB1 1 1
5 551 1 1 8 ALA HB2 H -1.165 9.425 9.704 1.00 . A A . 8 ALA HB2 1 1
5 552 1 1 8 ALA HB3 H -0.831 7.721 9.399 1.00 . A A . 8 ALA HB3 1 1
5 553 1 1 8 ALA N N 1.507 8.423 7.941 1.00 . A A . 8 ALA N 1 1
5 554 1 1 8 ALA O O 2.281 7.573 10.305 1.00 . A A . 8 ALA O 1 1
5 555 1 1 8 ALA OXT O 1.051 8.921 11.451 1.00 . A A . 8 ALA OXT 1 1
6 556 1 1 1 PHE C C 12.546 7.472 2.367 1.00 . A A . 1 PHE C 1 1
6 557 1 1 1 PHE CA C 13.503 7.009 1.273 1.00 . A A . 1 PHE CA 1 1
6 558 1 1 1 PHE CB C 14.320 5.815 1.769 1.00 . A A . 1 PHE CB 1 1
6 559 1 1 1 PHE CD1 C 13.300 4.451 3.628 1.00 . A A . 1 PHE CD1 1 1
6 560 1 1 1 PHE CD2 C 12.609 4.013 1.345 1.00 . A A . 1 PHE CD2 1 1
6 561 1 1 1 PHE CE1 C 12.435 3.448 4.082 1.00 . A A . 1 PHE CE1 1 1
6 562 1 1 1 PHE CE2 C 11.743 3.011 1.799 1.00 . A A . 1 PHE CE2 1 1
6 563 1 1 1 PHE CG C 13.386 4.734 2.259 1.00 . A A . 1 PHE CG 1 1
6 564 1 1 1 PHE CZ C 11.657 2.728 3.168 1.00 . A A . 1 PHE CZ 1 1
6 565 1 1 1 PHE H1 H 13.878 8.998 0.785 1.00 . A A . 1 PHE H1 1 1
6 566 1 1 1 PHE H2 H 14.928 7.892 0.037 1.00 . A A . 1 PHE H2 1 1
6 567 1 1 1 PHE H3 H 15.113 8.263 1.685 1.00 . A A . 1 PHE H3 1 1
6 568 1 1 1 PHE HA H 12.939 6.718 0.399 1.00 . A A . 1 PHE HA 1 1
6 569 1 1 1 PHE HB2 H 14.925 5.432 0.961 1.00 . A A . 1 PHE HB2 1 1
6 570 1 1 1 PHE HB3 H 14.959 6.130 2.580 1.00 . A A . 1 PHE HB3 1 1
6 571 1 1 1 PHE HD1 H 13.900 5.007 4.333 1.00 . A A . 1 PHE HD1 1 1
6 572 1 1 1 PHE HD2 H 12.675 4.231 0.289 1.00 . A A . 1 PHE HD2 1 1
6 573 1 1 1 PHE HE1 H 12.369 3.230 5.138 1.00 . A A . 1 PHE HE1 1 1
6 574 1 1 1 PHE HE2 H 11.143 2.455 1.094 1.00 . A A . 1 PHE HE2 1 1
6 575 1 1 1 PHE HZ H 10.990 1.955 3.519 1.00 . A A . 1 PHE HZ 1 1
6 576 1 1 1 PHE N N 14.425 8.125 0.919 1.00 . A A . 1 PHE N 1 1
6 577 1 1 1 PHE O O 12.952 7.682 3.511 1.00 . A A . 1 PHE O 1 1
6 578 1 1 2 SER C C 8.871 7.709 2.483 1.00 . A A . 2 SER C 1 1
6 579 1 1 2 SER CA C 10.271 8.064 2.973 1.00 . A A . 2 SER CA 1 1
6 580 1 1 2 SER CB C 10.371 9.575 3.184 1.00 . A A . 2 SER CB 1 1
6 581 1 1 2 SER H H 11.008 7.443 1.087 1.00 . A A . 2 SER H 1 1
6 582 1 1 2 SER HA H 10.448 7.568 3.916 1.00 . A A . 2 SER HA 1 1
6 583 1 1 2 SER HB2 H 10.966 9.779 4.058 1.00 . A A . 2 SER HB2 1 1
6 584 1 1 2 SER HB3 H 10.838 10.026 2.319 1.00 . A A . 2 SER HB3 1 1
6 585 1 1 2 SER HG H 9.104 11.050 3.180 1.00 . A A . 2 SER HG 1 1
6 586 1 1 2 SER N N 11.275 7.627 2.011 1.00 . A A . 2 SER N 1 1
6 587 1 1 2 SER O O 8.627 7.622 1.280 1.00 . A A . 2 SER O 1 1
6 588 1 1 2 SER OG O 9.068 10.109 3.368 1.00 . A A . 2 SER OG 1 1
6 589 1 1 3 DAL C C 6.535 5.780 2.411 1.00 . A A . 3 DAL C 1 1
6 590 1 1 3 DAL CA C 6.583 7.153 3.075 1.00 . A A . 3 DAL CA 1 1
6 591 1 1 3 DAL CB C 5.711 7.147 4.333 1.00 . A A . 3 DAL CB 1 1
6 592 1 1 3 DAL H H 8.207 7.582 4.367 1.00 . A A . 3 DAL H 1 1
6 593 1 1 3 DAL HA H 6.198 7.890 2.386 1.00 . A A . 3 DAL HA 1 1
6 594 1 1 3 DAL HB1 H 6.131 7.821 5.065 1.00 . A A . 3 DAL HB1 1 1
6 595 1 1 3 DAL HB2 H 5.675 6.149 4.742 1.00 . A A . 3 DAL HB2 1 1
6 596 1 1 3 DAL N N 7.955 7.501 3.424 1.00 . A A . 3 DAL N 1 1
6 597 1 1 3 DAL O O 7.453 5.399 1.686 1.00 . A A . 3 DAL O 1 1
6 598 1 1 4 LEU C C 3.826 3.367 1.910 1.00 . A A . 4 LEU C 1 1
6 599 1 1 4 LEU CA C 5.299 3.712 2.083 1.00 . A A . 4 LEU CA 1 1
6 600 1 1 4 LEU CB C 5.988 2.666 2.967 1.00 . A A . 4 LEU CB 1 1
6 601 1 1 4 LEU CD1 C 8.250 1.742 3.492 1.00 . A A . 4 LEU CD1 1 1
6 602 1 1 4 LEU CD2 C 7.233 1.354 1.243 1.00 . A A . 4 LEU CD2 1 1
6 603 1 1 4 LEU CG C 7.371 2.350 2.397 1.00 . A A . 4 LEU CG 1 1
6 604 1 1 4 LEU H H 4.758 5.403 3.246 1.00 . A A . 4 LEU H 1 1
6 605 1 1 4 LEU HA H 5.760 3.697 1.114 1.00 . A A . 4 LEU HA 1 1
6 606 1 1 4 LEU HB2 H 6.094 3.052 3.971 1.00 . A A . 4 LEU HB2 1 1
6 607 1 1 4 LEU HB3 H 5.397 1.762 2.988 1.00 . A A . 4 LEU HB3 1 1
6 608 1 1 4 LEU HD11 H 7.632 1.194 4.187 1.00 . A A . 4 LEU HD11 1 1
6 609 1 1 4 LEU HD12 H 8.769 2.531 4.016 1.00 . A A . 4 LEU HD12 1 1
6 610 1 1 4 LEU HD13 H 8.970 1.074 3.045 1.00 . A A . 4 LEU HD13 1 1
6 611 1 1 4 LEU HD21 H 7.782 1.717 0.386 1.00 . A A . 4 LEU HD21 1 1
6 612 1 1 4 LEU HD22 H 6.190 1.247 0.984 1.00 . A A . 4 LEU HD22 1 1
6 613 1 1 4 LEU HD23 H 7.628 0.396 1.544 1.00 . A A . 4 LEU HD23 1 1
6 614 1 1 4 LEU HG H 7.828 3.261 2.036 1.00 . A A . 4 LEU HG 1 1
6 615 1 1 4 LEU N N 5.458 5.044 2.662 1.00 . A A . 4 LEU N 1 1
6 616 1 1 4 LEU O O 3.337 3.267 0.785 1.00 . A A . 4 LEU O 1 1
6 617 1 1 5 ALA C C 0.937 3.499 4.074 1.00 . A A . 5 ALA C 1 1
6 618 1 1 5 ALA CA C 1.713 2.834 2.942 1.00 . A A . 5 ALA CA 1 1
6 619 1 1 5 ALA CB C 1.563 1.318 3.014 1.00 . A A . 5 ALA CB 1 1
6 620 1 1 5 ALA H H 3.549 3.259 3.892 1.00 . A A . 5 ALA H 1 1
6 621 1 1 5 ALA HA H 1.318 3.177 1.997 1.00 . A A . 5 ALA HA 1 1
6 622 1 1 5 ALA HB1 H 1.719 0.898 2.031 1.00 . A A . 5 ALA HB1 1 1
6 623 1 1 5 ALA HB2 H 0.575 1.070 3.362 1.00 . A A . 5 ALA HB2 1 1
6 624 1 1 5 ALA HB3 H 2.300 0.919 3.696 1.00 . A A . 5 ALA HB3 1 1
6 625 1 1 5 ALA N N 3.120 3.174 3.016 1.00 . A A . 5 ALA N 1 1
6 626 1 1 5 ALA O O -0.287 3.610 4.021 1.00 . A A . 5 ALA O 1 1
6 627 1 1 6 LEU C C 2.007 5.606 6.860 1.00 . A A . 6 LEU C 1 1
6 628 1 1 6 LEU CA C 1.041 4.606 6.234 1.00 . A A . 6 LEU CA 1 1
6 629 1 1 6 LEU CB C 0.627 3.567 7.278 1.00 . A A . 6 LEU CB 1 1
6 630 1 1 6 LEU CD1 C 1.889 2.495 9.149 1.00 . A A . 6 LEU CD1 1 1
6 631 1 1 6 LEU CD2 C 1.682 1.328 6.952 1.00 . A A . 6 LEU CD2 1 1
6 632 1 1 6 LEU CG C 1.828 2.690 7.633 1.00 . A A . 6 LEU CG 1 1
6 633 1 1 6 LEU H H 2.636 3.832 5.076 1.00 . A A . 6 LEU H 1 1
6 634 1 1 6 LEU HA H 0.160 5.131 5.898 1.00 . A A . 6 LEU HA 1 1
6 635 1 1 6 LEU HB2 H 0.273 4.071 8.166 1.00 . A A . 6 LEU HB2 1 1
6 636 1 1 6 LEU HB3 H -0.162 2.947 6.877 1.00 . A A . 6 LEU HB3 1 1
6 637 1 1 6 LEU HD11 H 2.052 3.449 9.628 1.00 . A A . 6 LEU HD11 1 1
6 638 1 1 6 LEU HD12 H 2.700 1.825 9.395 1.00 . A A . 6 LEU HD12 1 1
6 639 1 1 6 LEU HD13 H 0.957 2.072 9.496 1.00 . A A . 6 LEU HD13 1 1
6 640 1 1 6 LEU HD21 H 2.426 0.648 7.342 1.00 . A A . 6 LEU HD21 1 1
6 641 1 1 6 LEU HD22 H 1.822 1.441 5.887 1.00 . A A . 6 LEU HD22 1 1
6 642 1 1 6 LEU HD23 H 0.696 0.932 7.145 1.00 . A A . 6 LEU HD23 1 1
6 643 1 1 6 LEU HG H 2.736 3.169 7.295 1.00 . A A . 6 LEU HG 1 1
6 644 1 1 6 LEU N N 1.664 3.945 5.093 1.00 . A A . 6 LEU N 1 1
6 645 1 1 6 LEU O O 2.366 5.489 8.031 1.00 . A A . 6 LEU O 1 1
6 646 1 1 7 CYS C C 2.748 8.358 7.737 1.00 . A A . 7 CYS C 1 1
6 647 1 1 7 CYS CA C 3.351 7.606 6.556 1.00 . A A . 7 CYS CA 1 1
6 648 1 1 7 CYS CB C 3.681 8.594 5.433 1.00 . A A . 7 CYS CB 1 1
6 649 1 1 7 CYS H H 2.105 6.633 5.145 1.00 . A A . 7 CYS H 1 1
6 650 1 1 7 CYS HA H 4.263 7.124 6.874 1.00 . A A . 7 CYS HA 1 1
6 651 1 1 7 CYS HB2 H 2.837 9.250 5.274 1.00 . A A . 7 CYS HB2 1 1
6 652 1 1 7 CYS HB3 H 4.543 9.180 5.712 1.00 . A A . 7 CYS HB3 1 1
6 653 1 1 7 CYS N N 2.424 6.590 6.070 1.00 . A A . 7 CYS N 1 1
6 654 1 1 7 CYS O O 3.467 8.839 8.613 1.00 . A A . 7 CYS O 1 1
6 655 1 1 7 CYS SG S 4.034 7.684 3.907 1.00 . A A . 7 CYS SG 1 1
6 656 1 1 8 ALA C C 1.428 8.893 10.170 1.00 . A A . 8 ALA C 1 1
6 657 1 1 8 ALA CA C 0.731 9.148 8.836 1.00 . A A . 8 ALA CA 1 1
6 658 1 1 8 ALA CB C -0.721 8.673 8.917 1.00 . A A . 8 ALA CB 1 1
6 659 1 1 8 ALA H H 0.901 8.049 7.032 1.00 . A A . 8 ALA H 1 1
6 660 1 1 8 ALA HA H 0.740 10.208 8.633 1.00 . A A . 8 ALA HA 1 1
6 661 1 1 8 ALA HB1 H -0.744 7.643 9.241 1.00 . A A . 8 ALA HB1 1 1
6 662 1 1 8 ALA HB2 H -1.181 8.755 7.944 1.00 . A A . 8 ALA HB2 1 1
6 663 1 1 8 ALA HB3 H -1.261 9.285 9.624 1.00 . A A . 8 ALA HB3 1 1
6 664 1 1 8 ALA N N 1.423 8.454 7.756 1.00 . A A . 8 ALA N 1 1
6 665 1 1 8 ALA O O 1.476 7.745 10.580 1.00 . A A . 8 ALA O 1 1
6 666 1 1 8 ALA OXT O 1.903 9.849 10.759 1.00 . A A . 8 ALA OXT 1 1
7 667 1 1 1 PHE C C 10.988 8.752 4.111 1.00 . A A . 1 PHE C 1 1
7 668 1 1 1 PHE CA C 12.292 8.741 4.903 1.00 . A A . 1 PHE CA 1 1
7 669 1 1 1 PHE CB C 12.334 7.521 5.826 1.00 . A A . 1 PHE CB 1 1
7 670 1 1 1 PHE CD1 C 10.933 5.468 5.410 1.00 . A A . 1 PHE CD1 1 1
7 671 1 1 1 PHE CD2 C 12.791 5.932 3.923 1.00 . A A . 1 PHE CD2 1 1
7 672 1 1 1 PHE CE1 C 10.633 4.314 4.676 1.00 . A A . 1 PHE CE1 1 1
7 673 1 1 1 PHE CE2 C 12.491 4.779 3.188 1.00 . A A . 1 PHE CE2 1 1
7 674 1 1 1 PHE CG C 12.011 6.277 5.033 1.00 . A A . 1 PHE CG 1 1
7 675 1 1 1 PHE CZ C 11.413 3.970 3.564 1.00 . A A . 1 PHE CZ 1 1
7 676 1 1 1 PHE H1 H 13.357 10.099 6.069 1.00 . A A . 1 PHE H1 1 1
7 677 1 1 1 PHE H2 H 11.733 9.911 6.530 1.00 . A A . 1 PHE H2 1 1
7 678 1 1 1 PHE H3 H 12.127 10.803 5.138 1.00 . A A . 1 PHE H3 1 1
7 679 1 1 1 PHE HA H 13.128 8.701 4.220 1.00 . A A . 1 PHE HA 1 1
7 680 1 1 1 PHE HB2 H 13.321 7.429 6.256 1.00 . A A . 1 PHE HB2 1 1
7 681 1 1 1 PHE HB3 H 11.608 7.643 6.615 1.00 . A A . 1 PHE HB3 1 1
7 682 1 1 1 PHE HD1 H 10.332 5.733 6.267 1.00 . A A . 1 PHE HD1 1 1
7 683 1 1 1 PHE HD2 H 13.623 6.558 3.632 1.00 . A A . 1 PHE HD2 1 1
7 684 1 1 1 PHE HE1 H 9.802 3.689 4.966 1.00 . A A . 1 PHE HE1 1 1
7 685 1 1 1 PHE HE2 H 13.092 4.513 2.331 1.00 . A A . 1 PHE HE2 1 1
7 686 1 1 1 PHE HZ H 11.182 3.080 2.998 1.00 . A A . 1 PHE HZ 1 1
7 687 1 1 1 PHE N N 12.384 9.981 5.722 1.00 . A A . 1 PHE N 1 1
7 688 1 1 1 PHE O O 9.912 8.952 4.674 1.00 . A A . 1 PHE O 1 1
7 689 1 1 2 SER C C 8.788 7.713 2.576 1.00 . A A . 2 SER C 1 1
7 690 1 1 2 SER CA C 9.912 8.528 1.943 1.00 . A A . 2 SER CA 1 1
7 691 1 1 2 SER CB C 10.269 7.935 0.579 1.00 . A A . 2 SER CB 1 1
7 692 1 1 2 SER H H 11.974 8.386 2.407 1.00 . A A . 2 SER H 1 1
7 693 1 1 2 SER HA H 9.573 9.543 1.803 1.00 . A A . 2 SER HA 1 1
7 694 1 1 2 SER HB2 H 9.579 7.145 0.335 1.00 . A A . 2 SER HB2 1 1
7 695 1 1 2 SER HB3 H 10.207 8.709 -0.175 1.00 . A A . 2 SER HB3 1 1
7 696 1 1 2 SER HG H 11.532 6.499 0.932 1.00 . A A . 2 SER HG 1 1
7 697 1 1 2 SER N N 11.090 8.538 2.802 1.00 . A A . 2 SER N 1 1
7 698 1 1 2 SER O O 9.028 6.883 3.453 1.00 . A A . 2 SER O 1 1
7 699 1 1 2 SER OG O 11.588 7.408 0.628 1.00 . A A . 2 SER OG 1 1
7 700 1 1 3 DAL C C 6.578 5.734 2.447 1.00 . A A . 3 DAL C 1 1
7 701 1 1 3 DAL CA C 6.407 7.235 2.652 1.00 . A A . 3 DAL CA 1 1
7 702 1 1 3 DAL CB C 6.240 7.534 4.142 1.00 . A A . 3 DAL CB 1 1
7 703 1 1 3 DAL H H 7.430 8.627 1.423 1.00 . A A . 3 DAL H 1 1
7 704 1 1 3 DAL HA H 5.521 7.562 2.129 1.00 . A A . 3 DAL HA 1 1
7 705 1 1 3 DAL HB1 H 6.353 8.596 4.311 1.00 . A A . 3 DAL HB1 1 1
7 706 1 1 3 DAL HB2 H 6.993 7.000 4.703 1.00 . A A . 3 DAL HB2 1 1
7 707 1 1 3 DAL N N 7.561 7.955 2.124 1.00 . A A . 3 DAL N 1 1
7 708 1 1 3 DAL O O 7.693 5.219 2.484 1.00 . A A . 3 DAL O 1 1
7 709 1 1 4 LEU C C 4.077 3.035 2.002 1.00 . A A . 4 LEU C 1 1
7 710 1 1 4 LEU CA C 5.487 3.599 2.008 1.00 . A A . 4 LEU CA 1 1
7 711 1 1 4 LEU CB C 6.325 2.898 3.089 1.00 . A A . 4 LEU CB 1 1
7 712 1 1 4 LEU CD1 C 8.570 2.865 1.978 1.00 . A A . 4 LEU CD1 1 1
7 713 1 1 4 LEU CD2 C 7.863 0.955 3.426 1.00 . A A . 4 LEU CD2 1 1
7 714 1 1 4 LEU CG C 7.383 2.011 2.425 1.00 . A A . 4 LEU CG 1 1
7 715 1 1 4 LEU H H 4.606 5.519 2.201 1.00 . A A . 4 LEU H 1 1
7 716 1 1 4 LEU HA H 5.926 3.398 1.050 1.00 . A A . 4 LEU HA 1 1
7 717 1 1 4 LEU HB2 H 6.810 3.637 3.709 1.00 . A A . 4 LEU HB2 1 1
7 718 1 1 4 LEU HB3 H 5.685 2.282 3.702 1.00 . A A . 4 LEU HB3 1 1
7 719 1 1 4 LEU HD11 H 8.256 3.536 1.192 1.00 . A A . 4 LEU HD11 1 1
7 720 1 1 4 LEU HD12 H 9.356 2.223 1.609 1.00 . A A . 4 LEU HD12 1 1
7 721 1 1 4 LEU HD13 H 8.938 3.437 2.816 1.00 . A A . 4 LEU HD13 1 1
7 722 1 1 4 LEU HD21 H 8.941 0.972 3.479 1.00 . A A . 4 LEU HD21 1 1
7 723 1 1 4 LEU HD22 H 7.535 -0.022 3.103 1.00 . A A . 4 LEU HD22 1 1
7 724 1 1 4 LEU HD23 H 7.450 1.169 4.401 1.00 . A A . 4 LEU HD23 1 1
7 725 1 1 4 LEU HG H 6.950 1.521 1.564 1.00 . A A . 4 LEU HG 1 1
7 726 1 1 4 LEU N N 5.464 5.044 2.226 1.00 . A A . 4 LEU N 1 1
7 727 1 1 4 LEU O O 3.666 2.391 1.037 1.00 . A A . 4 LEU O 1 1
7 728 1 1 5 ALA C C 1.077 3.741 3.889 1.00 . A A . 5 ALA C 1 1
7 729 1 1 5 ALA CA C 1.984 2.761 3.154 1.00 . A A . 5 ALA CA 1 1
7 730 1 1 5 ALA CB C 2.005 1.415 3.863 1.00 . A A . 5 ALA CB 1 1
7 731 1 1 5 ALA H H 3.704 3.785 3.822 1.00 . A A . 5 ALA H 1 1
7 732 1 1 5 ALA HA H 1.605 2.619 2.154 1.00 . A A . 5 ALA HA 1 1
7 733 1 1 5 ALA HB1 H 1.332 0.737 3.365 1.00 . A A . 5 ALA HB1 1 1
7 734 1 1 5 ALA HB2 H 1.702 1.544 4.890 1.00 . A A . 5 ALA HB2 1 1
7 735 1 1 5 ALA HB3 H 3.010 1.013 3.831 1.00 . A A . 5 ALA HB3 1 1
7 736 1 1 5 ALA N N 3.337 3.269 3.075 1.00 . A A . 5 ALA N 1 1
7 737 1 1 5 ALA O O 0.056 4.178 3.357 1.00 . A A . 5 ALA O 1 1
7 738 1 1 6 LEU C C 1.563 5.793 6.878 1.00 . A A . 6 LEU C 1 1
7 739 1 1 6 LEU CA C 0.667 5.013 5.918 1.00 . A A . 6 LEU CA 1 1
7 740 1 1 6 LEU CB C -0.387 4.245 6.722 1.00 . A A . 6 LEU CB 1 1
7 741 1 1 6 LEU CD1 C -1.389 2.326 5.472 1.00 . A A . 6 LEU CD1 1 1
7 742 1 1 6 LEU CD2 C -2.869 4.041 6.523 1.00 . A A . 6 LEU CD2 1 1
7 743 1 1 6 LEU CG C -1.535 3.811 5.806 1.00 . A A . 6 LEU CG 1 1
7 744 1 1 6 LEU H H 2.279 3.703 5.490 1.00 . A A . 6 LEU H 1 1
7 745 1 1 6 LEU HA H 0.170 5.709 5.261 1.00 . A A . 6 LEU HA 1 1
7 746 1 1 6 LEU HB2 H 0.067 3.370 7.166 1.00 . A A . 6 LEU HB2 1 1
7 747 1 1 6 LEU HB3 H -0.776 4.881 7.503 1.00 . A A . 6 LEU HB3 1 1
7 748 1 1 6 LEU HD11 H -0.457 2.163 4.953 1.00 . A A . 6 LEU HD11 1 1
7 749 1 1 6 LEU HD12 H -2.211 2.015 4.844 1.00 . A A . 6 LEU HD12 1 1
7 750 1 1 6 LEU HD13 H -1.398 1.750 6.387 1.00 . A A . 6 LEU HD13 1 1
7 751 1 1 6 LEU HD21 H -2.861 3.523 7.470 1.00 . A A . 6 LEU HD21 1 1
7 752 1 1 6 LEU HD22 H -3.675 3.663 5.912 1.00 . A A . 6 LEU HD22 1 1
7 753 1 1 6 LEU HD23 H -3.009 5.098 6.691 1.00 . A A . 6 LEU HD23 1 1
7 754 1 1 6 LEU HG H -1.511 4.388 4.893 1.00 . A A . 6 LEU HG 1 1
7 755 1 1 6 LEU N N 1.456 4.083 5.117 1.00 . A A . 6 LEU N 1 1
7 756 1 1 6 LEU O O 1.374 5.743 8.093 1.00 . A A . 6 LEU O 1 1
7 757 1 1 7 CYS C C 2.756 8.580 7.630 1.00 . A A . 7 CYS C 1 1
7 758 1 1 7 CYS CA C 3.441 7.303 7.158 1.00 . A A . 7 CYS CA 1 1
7 759 1 1 7 CYS CB C 4.709 7.660 6.374 1.00 . A A . 7 CYS CB 1 1
7 760 1 1 7 CYS H H 2.640 6.525 5.354 1.00 . A A . 7 CYS H 1 1
7 761 1 1 7 CYS HA H 3.720 6.717 8.021 1.00 . A A . 7 CYS HA 1 1
7 762 1 1 7 CYS HB2 H 4.819 8.734 6.336 1.00 . A A . 7 CYS HB2 1 1
7 763 1 1 7 CYS HB3 H 5.568 7.229 6.868 1.00 . A A . 7 CYS HB3 1 1
7 764 1 1 7 CYS N N 2.535 6.516 6.329 1.00 . A A . 7 CYS N 1 1
7 765 1 1 7 CYS O O 2.826 8.938 8.806 1.00 . A A . 7 CYS O 1 1
7 766 1 1 7 CYS SG S 4.596 7.009 4.690 1.00 . A A . 7 CYS SG 1 1
7 767 1 1 8 ALA C C 0.373 10.263 8.140 1.00 . A A . 8 ALA C 1 1
7 768 1 1 8 ALA CA C 1.394 10.501 7.033 1.00 . A A . 8 ALA CA 1 1
7 769 1 1 8 ALA CB C 0.685 11.045 5.791 1.00 . A A . 8 ALA CB 1 1
7 770 1 1 8 ALA H H 2.070 8.930 5.782 1.00 . A A . 8 ALA H 1 1
7 771 1 1 8 ALA HA H 2.115 11.232 7.370 1.00 . A A . 8 ALA HA 1 1
7 772 1 1 8 ALA HB1 H 0.383 10.223 5.160 1.00 . A A . 8 ALA HB1 1 1
7 773 1 1 8 ALA HB2 H 1.357 11.690 5.245 1.00 . A A . 8 ALA HB2 1 1
7 774 1 1 8 ALA HB3 H -0.187 11.606 6.092 1.00 . A A . 8 ALA HB3 1 1
7 775 1 1 8 ALA N N 2.091 9.263 6.703 1.00 . A A . 8 ALA N 1 1
7 776 1 1 8 ALA O O 0.045 9.113 8.380 1.00 . A A . 8 ALA O 1 1
7 777 1 1 8 ALA OXT O -0.068 11.236 8.730 1.00 . A A . 8 ALA OXT 1 1
8 778 1 1 1 PHE C C 8.475 4.589 7.431 1.00 . A A . 1 PHE C 1 1
8 779 1 1 1 PHE CA C 8.560 3.094 7.716 1.00 . A A . 1 PHE CA 1 1
8 780 1 1 1 PHE CB C 7.236 2.601 8.304 1.00 . A A . 1 PHE CB 1 1
8 781 1 1 1 PHE CD1 C 7.519 0.131 7.900 1.00 . A A . 1 PHE CD1 1 1
8 782 1 1 1 PHE CD2 C 5.765 1.311 6.715 1.00 . A A . 1 PHE CD2 1 1
8 783 1 1 1 PHE CE1 C 7.144 -1.060 7.268 1.00 . A A . 1 PHE CE1 1 1
8 784 1 1 1 PHE CE2 C 5.389 0.119 6.083 1.00 . A A . 1 PHE CE2 1 1
8 785 1 1 1 PHE CG C 6.829 1.317 7.624 1.00 . A A . 1 PHE CG 1 1
8 786 1 1 1 PHE CZ C 6.080 -1.067 6.359 1.00 . A A . 1 PHE CZ 1 1
8 787 1 1 1 PHE H1 H 9.338 3.053 9.646 1.00 . A A . 1 PHE H1 1 1
8 788 1 1 1 PHE H2 H 10.481 3.430 8.447 1.00 . A A . 1 PHE H2 1 1
8 789 1 1 1 PHE H3 H 9.937 1.831 8.635 1.00 . A A . 1 PHE H3 1 1
8 790 1 1 1 PHE HA H 8.761 2.565 6.795 1.00 . A A . 1 PHE HA 1 1
8 791 1 1 1 PHE HB2 H 7.356 2.425 9.364 1.00 . A A . 1 PHE HB2 1 1
8 792 1 1 1 PHE HB3 H 6.472 3.347 8.149 1.00 . A A . 1 PHE HB3 1 1
8 793 1 1 1 PHE HD1 H 8.341 0.135 8.601 1.00 . A A . 1 PHE HD1 1 1
8 794 1 1 1 PHE HD2 H 5.232 2.226 6.500 1.00 . A A . 1 PHE HD2 1 1
8 795 1 1 1 PHE HE1 H 7.678 -1.974 7.483 1.00 . A A . 1 PHE HE1 1 1
8 796 1 1 1 PHE HE2 H 4.568 0.114 5.382 1.00 . A A . 1 PHE HE2 1 1
8 797 1 1 1 PHE HZ H 5.791 -1.985 5.872 1.00 . A A . 1 PHE HZ 1 1
8 798 1 1 1 PHE N N 9.662 2.833 8.684 1.00 . A A . 1 PHE N 1 1
8 799 1 1 1 PHE O O 7.907 5.349 8.216 1.00 . A A . 1 PHE O 1 1
8 800 1 1 2 SER C C 8.487 6.556 4.494 1.00 . A A . 2 SER C 1 1
8 801 1 1 2 SER CA C 9.013 6.407 5.917 1.00 . A A . 2 SER CA 1 1
8 802 1 1 2 SER CB C 10.419 6.999 6.010 1.00 . A A . 2 SER CB 1 1
8 803 1 1 2 SER H H 9.471 4.350 5.712 1.00 . A A . 2 SER H 1 1
8 804 1 1 2 SER HA H 8.363 6.944 6.591 1.00 . A A . 2 SER HA 1 1
8 805 1 1 2 SER HB2 H 11.115 6.232 6.302 1.00 . A A . 2 SER HB2 1 1
8 806 1 1 2 SER HB3 H 10.708 7.394 5.044 1.00 . A A . 2 SER HB3 1 1
8 807 1 1 2 SER HG H 11.016 7.769 7.695 1.00 . A A . 2 SER HG 1 1
8 808 1 1 2 SER N N 9.037 5.002 6.301 1.00 . A A . 2 SER N 1 1
8 809 1 1 2 SER O O 9.200 6.285 3.527 1.00 . A A . 2 SER O 1 1
8 810 1 1 2 SER OG O 10.428 8.034 6.983 1.00 . A A . 2 SER OG 1 1
8 811 1 1 3 DAL C C 6.509 5.820 2.344 1.00 . A A . 3 DAL C 1 1
8 812 1 1 3 DAL CA C 6.625 7.161 3.062 1.00 . A A . 3 DAL CA 1 1
8 813 1 1 3 DAL CB C 5.237 7.787 3.213 1.00 . A A . 3 DAL CB 1 1
8 814 1 1 3 DAL H H 6.717 7.183 5.179 1.00 . A A . 3 DAL H 1 1
8 815 1 1 3 DAL HA H 7.244 7.822 2.474 1.00 . A A . 3 DAL HA 1 1
8 816 1 1 3 DAL HB1 H 4.489 7.010 3.219 1.00 . A A . 3 DAL HB1 1 1
8 817 1 1 3 DAL HB2 H 5.055 8.454 2.384 1.00 . A A . 3 DAL HB2 1 1
8 818 1 1 3 DAL N N 7.237 6.984 4.373 1.00 . A A . 3 DAL N 1 1
8 819 1 1 3 DAL O O 7.310 5.507 1.463 1.00 . A A . 3 DAL O 1 1
8 820 1 1 4 LEU C C 3.825 3.416 1.929 1.00 . A A . 4 LEU C 1 1
8 821 1 1 4 LEU CA C 5.306 3.722 2.113 1.00 . A A . 4 LEU CA 1 1
8 822 1 1 4 LEU CB C 5.968 2.629 2.961 1.00 . A A . 4 LEU CB 1 1
8 823 1 1 4 LEU CD1 C 8.203 1.613 3.427 1.00 . A A . 4 LEU CD1 1 1
8 824 1 1 4 LEU CD2 C 7.138 1.321 1.186 1.00 . A A . 4 LEU CD2 1 1
8 825 1 1 4 LEU CG C 7.332 2.282 2.363 1.00 . A A . 4 LEU CG 1 1
8 826 1 1 4 LEU H H 4.905 5.334 3.437 1.00 . A A . 4 LEU H 1 1
8 827 1 1 4 LEU HA H 5.765 3.722 1.143 1.00 . A A . 4 LEU HA 1 1
8 828 1 1 4 LEU HB2 H 6.098 2.985 3.973 1.00 . A A . 4 LEU HB2 1 1
8 829 1 1 4 LEU HB3 H 5.347 1.746 2.965 1.00 . A A . 4 LEU HB3 1 1
8 830 1 1 4 LEU HD11 H 8.621 2.368 4.078 1.00 . A A . 4 LEU HD11 1 1
8 831 1 1 4 LEU HD12 H 9.003 1.068 2.949 1.00 . A A . 4 LEU HD12 1 1
8 832 1 1 4 LEU HD13 H 7.601 0.931 4.010 1.00 . A A . 4 LEU HD13 1 1
8 833 1 1 4 LEU HD21 H 6.514 1.788 0.439 1.00 . A A . 4 LEU HD21 1 1
8 834 1 1 4 LEU HD22 H 6.664 0.416 1.536 1.00 . A A . 4 LEU HD22 1 1
8 835 1 1 4 LEU HD23 H 8.098 1.081 0.755 1.00 . A A . 4 LEU HD23 1 1
8 836 1 1 4 LEU HG H 7.816 3.184 2.018 1.00 . A A . 4 LEU HG 1 1
8 837 1 1 4 LEU N N 5.510 5.031 2.728 1.00 . A A . 4 LEU N 1 1
8 838 1 1 4 LEU O O 3.335 3.359 0.802 1.00 . A A . 4 LEU O 1 1
8 839 1 1 5 ALA C C 0.929 3.556 4.080 1.00 . A A . 5 ALA C 1 1
8 840 1 1 5 ALA CA C 1.699 2.894 2.941 1.00 . A A . 5 ALA CA 1 1
8 841 1 1 5 ALA CB C 1.521 1.380 2.987 1.00 . A A . 5 ALA CB 1 1
8 842 1 1 5 ALA H H 3.542 3.253 3.907 1.00 . A A . 5 ALA H 1 1
8 843 1 1 5 ALA HA H 1.316 3.261 2.000 1.00 . A A . 5 ALA HA 1 1
8 844 1 1 5 ALA HB1 H 2.401 0.932 3.429 1.00 . A A . 5 ALA HB1 1 1
8 845 1 1 5 ALA HB2 H 1.393 1.004 1.983 1.00 . A A . 5 ALA HB2 1 1
8 846 1 1 5 ALA HB3 H 0.656 1.136 3.580 1.00 . A A . 5 ALA HB3 1 1
8 847 1 1 5 ALA N N 3.112 3.207 3.028 1.00 . A A . 5 ALA N 1 1
8 848 1 1 5 ALA O O -0.283 3.753 3.994 1.00 . A A . 5 ALA O 1 1
8 849 1 1 6 LEU C C 1.984 5.588 6.881 1.00 . A A . 6 LEU C 1 1
8 850 1 1 6 LEU CA C 1.030 4.557 6.291 1.00 . A A . 6 LEU CA 1 1
8 851 1 1 6 LEU CB C 0.664 3.523 7.356 1.00 . A A . 6 LEU CB 1 1
8 852 1 1 6 LEU CD1 C 1.805 2.250 9.178 1.00 . A A . 6 LEU CD1 1 1
8 853 1 1 6 LEU CD2 C 1.986 1.476 6.808 1.00 . A A . 6 LEU CD2 1 1
8 854 1 1 6 LEU CG C 1.902 2.702 7.720 1.00 . A A . 6 LEU CG 1 1
8 855 1 1 6 LEU H H 2.611 3.729 5.148 1.00 . A A . 6 LEU H 1 1
8 856 1 1 6 LEU HA H 0.130 5.060 5.968 1.00 . A A . 6 LEU HA 1 1
8 857 1 1 6 LEU HB2 H 0.295 4.029 8.237 1.00 . A A . 6 LEU HB2 1 1
8 858 1 1 6 LEU HB3 H -0.101 2.865 6.972 1.00 . A A . 6 LEU HB3 1 1
8 859 1 1 6 LEU HD11 H 0.794 1.935 9.391 1.00 . A A . 6 LEU HD11 1 1
8 860 1 1 6 LEU HD12 H 2.072 3.070 9.827 1.00 . A A . 6 LEU HD12 1 1
8 861 1 1 6 LEU HD13 H 2.482 1.424 9.344 1.00 . A A . 6 LEU HD13 1 1
8 862 1 1 6 LEU HD21 H 1.031 0.971 6.792 1.00 . A A . 6 LEU HD21 1 1
8 863 1 1 6 LEU HD22 H 2.743 0.802 7.180 1.00 . A A . 6 LEU HD22 1 1
8 864 1 1 6 LEU HD23 H 2.244 1.789 5.806 1.00 . A A . 6 LEU HD23 1 1
8 865 1 1 6 LEU HG H 2.786 3.310 7.590 1.00 . A A . 6 LEU HG 1 1
8 866 1 1 6 LEU N N 1.646 3.905 5.141 1.00 . A A . 6 LEU N 1 1
8 867 1 1 6 LEU O O 2.335 5.526 8.060 1.00 . A A . 6 LEU O 1 1
8 868 1 1 7 CYS C C 2.793 8.963 6.118 1.00 . A A . 7 CYS C 1 1
8 869 1 1 7 CYS CA C 3.327 7.576 6.483 1.00 . A A . 7 CYS CA 1 1
8 870 1 1 7 CYS CB C 4.713 7.340 5.858 1.00 . A A . 7 CYS CB 1 1
8 871 1 1 7 CYS H H 2.092 6.520 5.118 1.00 . A A . 7 CYS H 1 1
8 872 1 1 7 CYS HA H 3.422 7.518 7.557 1.00 . A A . 7 CYS HA 1 1
8 873 1 1 7 CYS HB2 H 5.447 7.259 6.645 1.00 . A A . 7 CYS HB2 1 1
8 874 1 1 7 CYS HB3 H 4.697 6.421 5.292 1.00 . A A . 7 CYS HB3 1 1
8 875 1 1 7 CYS N N 2.405 6.531 6.045 1.00 . A A . 7 CYS N 1 1
8 876 1 1 7 CYS O O 2.497 9.770 6.999 1.00 . A A . 7 CYS O 1 1
8 877 1 1 7 CYS SG S 5.164 8.717 4.766 1.00 . A A . 7 CYS SG 1 1
8 878 1 1 8 ALA C C 0.707 10.452 3.988 1.00 . A A . 8 ALA C 1 1
8 879 1 1 8 ALA CA C 2.180 10.539 4.369 1.00 . A A . 8 ALA CA 1 1
8 880 1 1 8 ALA CB C 2.991 11.017 3.165 1.00 . A A . 8 ALA CB 1 1
8 881 1 1 8 ALA H H 2.931 8.569 4.155 1.00 . A A . 8 ALA H 1 1
8 882 1 1 8 ALA HA H 2.293 11.253 5.170 1.00 . A A . 8 ALA HA 1 1
8 883 1 1 8 ALA HB1 H 2.660 12.003 2.877 1.00 . A A . 8 ALA HB1 1 1
8 884 1 1 8 ALA HB2 H 2.846 10.333 2.340 1.00 . A A . 8 ALA HB2 1 1
8 885 1 1 8 ALA HB3 H 4.038 11.049 3.425 1.00 . A A . 8 ALA HB3 1 1
8 886 1 1 8 ALA N N 2.676 9.241 4.819 1.00 . A A . 8 ALA N 1 1
8 887 1 1 8 ALA O O 0.137 9.383 4.134 1.00 . A A . 8 ALA O 1 1
8 888 1 1 8 ALA OXT O 0.169 11.457 3.553 1.00 . A A . 8 ALA OXT 1 1
9 889 1 1 1 PHE C C 10.565 4.736 6.433 1.00 . A A . 1 PHE C 1 1
9 890 1 1 1 PHE CA C 11.232 3.368 6.306 1.00 . A A . 1 PHE CA 1 1
9 891 1 1 1 PHE CB C 10.849 2.486 7.498 1.00 . A A . 1 PHE CB 1 1
9 892 1 1 1 PHE CD1 C 8.944 0.834 7.564 1.00 . A A . 1 PHE CD1 1 1
9 893 1 1 1 PHE CD2 C 10.749 0.472 5.985 1.00 . A A . 1 PHE CD2 1 1
9 894 1 1 1 PHE CE1 C 8.310 -0.327 7.104 1.00 . A A . 1 PHE CE1 1 1
9 895 1 1 1 PHE CE2 C 10.115 -0.689 5.526 1.00 . A A . 1 PHE CE2 1 1
9 896 1 1 1 PHE CG C 10.163 1.233 7.003 1.00 . A A . 1 PHE CG 1 1
9 897 1 1 1 PHE CZ C 8.895 -1.088 6.085 1.00 . A A . 1 PHE CZ 1 1
9 898 1 1 1 PHE H1 H 13.132 2.824 5.653 1.00 . A A . 1 PHE H1 1 1
9 899 1 1 1 PHE H2 H 13.092 3.434 7.238 1.00 . A A . 1 PHE H2 1 1
9 900 1 1 1 PHE H3 H 12.942 4.488 5.914 1.00 . A A . 1 PHE H3 1 1
9 901 1 1 1 PHE HA H 10.910 2.896 5.389 1.00 . A A . 1 PHE HA 1 1
9 902 1 1 1 PHE HB2 H 11.740 2.215 8.045 1.00 . A A . 1 PHE HB2 1 1
9 903 1 1 1 PHE HB3 H 10.179 3.029 8.147 1.00 . A A . 1 PHE HB3 1 1
9 904 1 1 1 PHE HD1 H 8.492 1.422 8.348 1.00 . A A . 1 PHE HD1 1 1
9 905 1 1 1 PHE HD2 H 11.690 0.780 5.553 1.00 . A A . 1 PHE HD2 1 1
9 906 1 1 1 PHE HE1 H 7.370 -0.635 7.536 1.00 . A A . 1 PHE HE1 1 1
9 907 1 1 1 PHE HE2 H 10.567 -1.276 4.741 1.00 . A A . 1 PHE HE2 1 1
9 908 1 1 1 PHE HZ H 8.407 -1.984 5.732 1.00 . A A . 1 PHE HZ 1 1
9 909 1 1 1 PHE N N 12.711 3.542 6.276 1.00 . A A . 1 PHE N 1 1
9 910 1 1 1 PHE O O 10.921 5.531 7.303 1.00 . A A . 1 PHE O 1 1
9 911 1 1 2 SER C C 7.660 6.216 4.675 1.00 . A A . 2 SER C 1 1
9 912 1 1 2 SER CA C 8.889 6.278 5.585 1.00 . A A . 2 SER CA 1 1
9 913 1 1 2 SER CB C 9.831 7.400 5.142 1.00 . A A . 2 SER CB 1 1
9 914 1 1 2 SER H H 9.357 4.332 4.889 1.00 . A A . 2 SER H 1 1
9 915 1 1 2 SER HA H 8.563 6.475 6.594 1.00 . A A . 2 SER HA 1 1
9 916 1 1 2 SER HB2 H 10.507 7.641 5.948 1.00 . A A . 2 SER HB2 1 1
9 917 1 1 2 SER HB3 H 10.406 7.071 4.285 1.00 . A A . 2 SER HB3 1 1
9 918 1 1 2 SER HG H 9.656 9.187 4.396 1.00 . A A . 2 SER HG 1 1
9 919 1 1 2 SER N N 9.598 5.003 5.561 1.00 . A A . 2 SER N 1 1
9 920 1 1 2 SER O O 6.846 5.302 4.791 1.00 . A A . 2 SER O 1 1
9 921 1 1 2 SER OG O 9.069 8.552 4.810 1.00 . A A . 2 SER OG 1 1
9 922 1 1 3 DAL C C 6.250 5.864 2.149 1.00 . A A . 3 DAL C 1 1
9 923 1 1 3 DAL CA C 6.392 7.208 2.858 1.00 . A A . 3 DAL CA 1 1
9 924 1 1 3 DAL CB C 5.108 7.530 3.627 1.00 . A A . 3 DAL CB 1 1
9 925 1 1 3 DAL H H 8.202 7.889 3.716 1.00 . A A . 3 DAL H 1 1
9 926 1 1 3 DAL HA H 6.555 7.977 2.117 1.00 . A A . 3 DAL HA 1 1
9 927 1 1 3 DAL HB1 H 4.551 6.622 3.797 1.00 . A A . 3 DAL HB1 1 1
9 928 1 1 3 DAL HB2 H 4.507 8.218 3.051 1.00 . A A . 3 DAL HB2 1 1
9 929 1 1 3 DAL N N 7.529 7.184 3.771 1.00 . A A . 3 DAL N 1 1
9 930 1 1 3 DAL O O 6.709 5.698 1.019 1.00 . A A . 3 DAL O 1 1
9 931 1 1 4 LEU C C 3.952 3.311 1.970 1.00 . A A . 4 LEU C 1 1
9 932 1 1 4 LEU CA C 5.425 3.581 2.238 1.00 . A A . 4 LEU CA 1 1
9 933 1 1 4 LEU CB C 5.996 2.507 3.168 1.00 . A A . 4 LEU CB 1 1
9 934 1 1 4 LEU CD1 C 8.333 3.273 2.708 1.00 . A A . 4 LEU CD1 1 1
9 935 1 1 4 LEU CD2 C 7.917 0.961 3.567 1.00 . A A . 4 LEU CD2 1 1
9 936 1 1 4 LEU CG C 7.378 2.077 2.669 1.00 . A A . 4 LEU CG 1 1
9 937 1 1 4 LEU H H 5.271 5.096 3.718 1.00 . A A . 4 LEU H 1 1
9 938 1 1 4 LEU HA H 5.947 3.533 1.300 1.00 . A A . 4 LEU HA 1 1
9 939 1 1 4 LEU HB2 H 6.083 2.903 4.169 1.00 . A A . 4 LEU HB2 1 1
9 940 1 1 4 LEU HB3 H 5.341 1.647 3.174 1.00 . A A . 4 LEU HB3 1 1
9 941 1 1 4 LEU HD11 H 7.847 4.109 3.189 1.00 . A A . 4 LEU HD11 1 1
9 942 1 1 4 LEU HD12 H 8.609 3.548 1.700 1.00 . A A . 4 LEU HD12 1 1
9 943 1 1 4 LEU HD13 H 9.222 3.006 3.263 1.00 . A A . 4 LEU HD13 1 1
9 944 1 1 4 LEU HD21 H 8.891 1.239 3.943 1.00 . A A . 4 LEU HD21 1 1
9 945 1 1 4 LEU HD22 H 8.000 0.048 2.997 1.00 . A A . 4 LEU HD22 1 1
9 946 1 1 4 LEU HD23 H 7.243 0.807 4.398 1.00 . A A . 4 LEU HD23 1 1
9 947 1 1 4 LEU HG H 7.296 1.716 1.654 1.00 . A A . 4 LEU HG 1 1
9 948 1 1 4 LEU N N 5.616 4.907 2.819 1.00 . A A . 4 LEU N 1 1
9 949 1 1 4 LEU O O 3.531 3.222 0.817 1.00 . A A . 4 LEU O 1 1
9 950 1 1 5 ALA C C 0.953 3.629 3.947 1.00 . A A . 5 ALA C 1 1
9 951 1 1 5 ALA CA C 1.754 2.906 2.872 1.00 . A A . 5 ALA CA 1 1
9 952 1 1 5 ALA CB C 1.524 1.402 2.956 1.00 . A A . 5 ALA CB 1 1
9 953 1 1 5 ALA H H 3.545 3.249 3.930 1.00 . A A . 5 ALA H 1 1
9 954 1 1 5 ALA HA H 1.436 3.254 1.902 1.00 . A A . 5 ALA HA 1 1
9 955 1 1 5 ALA HB1 H 0.468 1.202 3.024 1.00 . A A . 5 ALA HB1 1 1
9 956 1 1 5 ALA HB2 H 2.027 1.013 3.828 1.00 . A A . 5 ALA HB2 1 1
9 957 1 1 5 ALA HB3 H 1.926 0.932 2.069 1.00 . A A . 5 ALA HB3 1 1
9 958 1 1 5 ALA N N 3.169 3.174 3.030 1.00 . A A . 5 ALA N 1 1
9 959 1 1 5 ALA O O -0.246 3.861 3.793 1.00 . A A . 5 ALA O 1 1
9 960 1 1 6 LEU C C 1.979 5.577 6.872 1.00 . A A . 6 LEU C 1 1
9 961 1 1 6 LEU CA C 0.977 4.696 6.131 1.00 . A A . 6 LEU CA 1 1
9 962 1 1 6 LEU CB C 0.349 3.694 7.102 1.00 . A A . 6 LEU CB 1 1
9 963 1 1 6 LEU CD1 C 1.286 2.604 9.143 1.00 . A A . 6 LEU CD1 1 1
9 964 1 1 6 LEU CD2 C 1.266 1.376 6.968 1.00 . A A . 6 LEU CD2 1 1
9 965 1 1 6 LEU CG C 1.428 2.748 7.628 1.00 . A A . 6 LEU CG 1 1
9 966 1 1 6 LEU H H 2.584 3.782 5.098 1.00 . A A . 6 LEU H 1 1
9 967 1 1 6 LEU HA H 0.199 5.322 5.725 1.00 . A A . 6 LEU HA 1 1
9 968 1 1 6 LEU HB2 H -0.098 4.226 7.929 1.00 . A A . 6 LEU HB2 1 1
9 969 1 1 6 LEU HB3 H -0.409 3.121 6.589 1.00 . A A . 6 LEU HB3 1 1
9 970 1 1 6 LEU HD11 H 1.636 3.506 9.625 1.00 . A A . 6 LEU HD11 1 1
9 971 1 1 6 LEU HD12 H 1.874 1.764 9.483 1.00 . A A . 6 LEU HD12 1 1
9 972 1 1 6 LEU HD13 H 0.249 2.442 9.393 1.00 . A A . 6 LEU HD13 1 1
9 973 1 1 6 LEU HD21 H 1.368 1.478 5.898 1.00 . A A . 6 LEU HD21 1 1
9 974 1 1 6 LEU HD22 H 0.290 0.977 7.200 1.00 . A A . 6 LEU HD22 1 1
9 975 1 1 6 LEU HD23 H 2.027 0.706 7.340 1.00 . A A . 6 LEU HD23 1 1
9 976 1 1 6 LEU HG H 2.404 3.150 7.394 1.00 . A A . 6 LEU HG 1 1
9 977 1 1 6 LEU N N 1.628 3.990 5.034 1.00 . A A . 6 LEU N 1 1
9 978 1 1 6 LEU O O 2.302 5.325 8.034 1.00 . A A . 6 LEU O 1 1
9 979 1 1 7 CYS C C 2.856 8.183 8.036 1.00 . A A . 7 CYS C 1 1
9 980 1 1 7 CYS CA C 3.439 7.520 6.792 1.00 . A A . 7 CYS CA 1 1
9 981 1 1 7 CYS CB C 3.840 8.592 5.779 1.00 . A A . 7 CYS CB 1 1
9 982 1 1 7 CYS H H 2.178 6.757 5.268 1.00 . A A . 7 CYS H 1 1
9 983 1 1 7 CYS HA H 4.318 6.960 7.073 1.00 . A A . 7 CYS HA 1 1
9 984 1 1 7 CYS HB2 H 3.169 8.559 4.933 1.00 . A A . 7 CYS HB2 1 1
9 985 1 1 7 CYS HB3 H 3.786 9.566 6.242 1.00 . A A . 7 CYS HB3 1 1
9 986 1 1 7 CYS N N 2.470 6.608 6.191 1.00 . A A . 7 CYS N 1 1
9 987 1 1 7 CYS O O 3.574 8.455 8.999 1.00 . A A . 7 CYS O 1 1
9 988 1 1 7 CYS SG S 5.533 8.284 5.216 1.00 . A A . 7 CYS SG 1 1
9 989 1 1 8 ALA C C 0.392 8.019 10.129 1.00 . A A . 8 ALA C 1 1
9 990 1 1 8 ALA CA C 0.889 9.073 9.144 1.00 . A A . 8 ALA CA 1 1
9 991 1 1 8 ALA CB C -0.292 9.913 8.655 1.00 . A A . 8 ALA CB 1 1
9 992 1 1 8 ALA H H 1.032 8.203 7.217 1.00 . A A . 8 ALA H 1 1
9 993 1 1 8 ALA HA H 1.592 9.720 9.647 1.00 . A A . 8 ALA HA 1 1
9 994 1 1 8 ALA HB1 H -0.115 10.221 7.635 1.00 . A A . 8 ALA HB1 1 1
9 995 1 1 8 ALA HB2 H -0.396 10.785 9.282 1.00 . A A . 8 ALA HB2 1 1
9 996 1 1 8 ALA HB3 H -1.196 9.324 8.702 1.00 . A A . 8 ALA HB3 1 1
9 997 1 1 8 ALA N N 1.554 8.441 8.010 1.00 . A A . 8 ALA N 1 1
9 998 1 1 8 ALA O O 0.271 6.873 9.728 1.00 . A A . 8 ALA O 1 1
9 999 1 1 8 ALA OXT O 0.141 8.374 11.268 1.00 . A A . 8 ALA OXT 1 1
10 1000 1 1 1 PHE C C 11.169 3.760 4.899 1.00 . A A . 1 PHE C 1 1
10 1001 1 1 1 PHE CA C 11.654 2.352 4.574 1.00 . A A . 1 PHE CA 1 1
10 1002 1 1 1 PHE CB C 10.457 1.410 4.434 1.00 . A A . 1 PHE CB 1 1
10 1003 1 1 1 PHE CD1 C 9.602 2.210 2.203 1.00 . A A . 1 PHE CD1 1 1
10 1004 1 1 1 PHE CD2 C 10.455 -0.052 2.384 1.00 . A A . 1 PHE CD2 1 1
10 1005 1 1 1 PHE CE1 C 9.333 2.000 0.845 1.00 . A A . 1 PHE CE1 1 1
10 1006 1 1 1 PHE CE2 C 10.184 -0.263 1.026 1.00 . A A . 1 PHE CE2 1 1
10 1007 1 1 1 PHE CG C 10.164 1.184 2.971 1.00 . A A . 1 PHE CG 1 1
10 1008 1 1 1 PHE CZ C 9.623 0.763 0.256 1.00 . A A . 1 PHE CZ 1 1
10 1009 1 1 1 PHE H1 H 13.391 2.465 5.716 1.00 . A A . 1 PHE H1 1 1
10 1010 1 1 1 PHE H2 H 12.821 0.882 5.474 1.00 . A A . 1 PHE H2 1 1
10 1011 1 1 1 PHE H3 H 12.035 1.912 6.573 1.00 . A A . 1 PHE H3 1 1
10 1012 1 1 1 PHE HA H 12.206 2.369 3.646 1.00 . A A . 1 PHE HA 1 1
10 1013 1 1 1 PHE HB2 H 10.686 0.466 4.908 1.00 . A A . 1 PHE HB2 1 1
10 1014 1 1 1 PHE HB3 H 9.594 1.852 4.910 1.00 . A A . 1 PHE HB3 1 1
10 1015 1 1 1 PHE HD1 H 9.378 3.164 2.657 1.00 . A A . 1 PHE HD1 1 1
10 1016 1 1 1 PHE HD2 H 10.886 -0.845 2.977 1.00 . A A . 1 PHE HD2 1 1
10 1017 1 1 1 PHE HE1 H 8.899 2.792 0.250 1.00 . A A . 1 PHE HE1 1 1
10 1018 1 1 1 PHE HE2 H 10.408 -1.217 0.573 1.00 . A A . 1 PHE HE2 1 1
10 1019 1 1 1 PHE HZ H 9.415 0.601 -0.790 1.00 . A A . 1 PHE HZ 1 1
10 1020 1 1 1 PHE N N 12.543 1.867 5.667 1.00 . A A . 1 PHE N 1 1
10 1021 1 1 1 PHE O O 10.783 4.048 6.032 1.00 . A A . 1 PHE O 1 1
10 1022 1 1 2 SER C C 9.400 6.225 3.396 1.00 . A A . 2 SER C 1 1
10 1023 1 1 2 SER CA C 10.740 6.005 4.086 1.00 . A A . 2 SER CA 1 1
10 1024 1 1 2 SER CB C 11.769 6.974 3.516 1.00 . A A . 2 SER CB 1 1
10 1025 1 1 2 SER H H 11.501 4.344 3.014 1.00 . A A . 2 SER H 1 1
10 1026 1 1 2 SER HA H 10.631 6.195 5.143 1.00 . A A . 2 SER HA 1 1
10 1027 1 1 2 SER HB2 H 12.759 6.593 3.693 1.00 . A A . 2 SER HB2 1 1
10 1028 1 1 2 SER HB3 H 11.608 7.078 2.452 1.00 . A A . 2 SER HB3 1 1
10 1029 1 1 2 SER HG H 12.249 8.267 4.889 1.00 . A A . 2 SER HG 1 1
10 1030 1 1 2 SER N N 11.187 4.631 3.896 1.00 . A A . 2 SER N 1 1
10 1031 1 1 2 SER O O 9.327 6.300 2.170 1.00 . A A . 2 SER O 1 1
10 1032 1 1 2 SER OG O 11.631 8.236 4.155 1.00 . A A . 2 SER OG 1 1
10 1033 1 1 3 DAL C C 6.678 5.465 2.614 1.00 . A A . 3 DAL C 1 1
10 1034 1 1 3 DAL CA C 7.009 6.538 3.648 1.00 . A A . 3 DAL CA 1 1
10 1035 1 1 3 DAL CB C 5.976 6.508 4.775 1.00 . A A . 3 DAL CB 1 1
10 1036 1 1 3 DAL H H 8.467 6.261 5.159 1.00 . A A . 3 DAL H 1 1
10 1037 1 1 3 DAL HA H 6.973 7.506 3.170 1.00 . A A . 3 DAL HA 1 1
10 1038 1 1 3 DAL HB1 H 6.380 7.010 5.642 1.00 . A A . 3 DAL HB1 1 1
10 1039 1 1 3 DAL HB2 H 5.746 5.483 5.027 1.00 . A A . 3 DAL HB2 1 1
10 1040 1 1 3 DAL N N 8.345 6.328 4.191 1.00 . A A . 3 DAL N 1 1
10 1041 1 1 3 DAL O O 7.549 5.030 1.860 1.00 . A A . 3 DAL O 1 1
10 1042 1 1 4 LEU C C 3.509 3.767 1.708 1.00 . A A . 4 LEU C 1 1
10 1043 1 1 4 LEU CA C 5.006 4.019 1.620 1.00 . A A . 4 LEU CA 1 1
10 1044 1 1 4 LEU CB C 5.790 2.722 1.864 1.00 . A A . 4 LEU CB 1 1
10 1045 1 1 4 LEU CD1 C 4.429 1.686 0.041 1.00 . A A . 4 LEU CD1 1 1
10 1046 1 1 4 LEU CD2 C 5.793 0.239 1.553 1.00 . A A . 4 LEU CD2 1 1
10 1047 1 1 4 LEU CG C 4.939 1.509 1.472 1.00 . A A . 4 LEU CG 1 1
10 1048 1 1 4 LEU H H 4.758 5.420 3.198 1.00 . A A . 4 LEU H 1 1
10 1049 1 1 4 LEU HA H 5.222 4.367 0.627 1.00 . A A . 4 LEU HA 1 1
10 1050 1 1 4 LEU HB2 H 6.689 2.732 1.267 1.00 . A A . 4 LEU HB2 1 1
10 1051 1 1 4 LEU HB3 H 6.059 2.649 2.907 1.00 . A A . 4 LEU HB3 1 1
10 1052 1 1 4 LEU HD11 H 3.381 1.946 0.061 1.00 . A A . 4 LEU HD11 1 1
10 1053 1 1 4 LEU HD12 H 4.559 0.762 -0.505 1.00 . A A . 4 LEU HD12 1 1
10 1054 1 1 4 LEU HD13 H 4.986 2.472 -0.447 1.00 . A A . 4 LEU HD13 1 1
10 1055 1 1 4 LEU HD21 H 5.797 -0.127 2.568 1.00 . A A . 4 LEU HD21 1 1
10 1056 1 1 4 LEU HD22 H 6.804 0.465 1.246 1.00 . A A . 4 LEU HD22 1 1
10 1057 1 1 4 LEU HD23 H 5.379 -0.516 0.900 1.00 . A A . 4 LEU HD23 1 1
10 1058 1 1 4 LEU HG H 4.099 1.423 2.146 1.00 . A A . 4 LEU HG 1 1
10 1059 1 1 4 LEU N N 5.418 5.041 2.576 1.00 . A A . 4 LEU N 1 1
10 1060 1 1 4 LEU O O 2.777 4.000 0.746 1.00 . A A . 4 LEU O 1 1
10 1061 1 1 5 ALA C C 1.201 3.341 4.442 1.00 . A A . 5 ALA C 1 1
10 1062 1 1 5 ALA CA C 1.645 3.005 3.024 1.00 . A A . 5 ALA CA 1 1
10 1063 1 1 5 ALA CB C 1.391 1.534 2.716 1.00 . A A . 5 ALA CB 1 1
10 1064 1 1 5 ALA H H 3.676 3.110 3.588 1.00 . A A . 5 ALA H 1 1
10 1065 1 1 5 ALA HA H 1.082 3.608 2.328 1.00 . A A . 5 ALA HA 1 1
10 1066 1 1 5 ALA HB1 H 1.774 1.307 1.731 1.00 . A A . 5 ALA HB1 1 1
10 1067 1 1 5 ALA HB2 H 0.332 1.339 2.746 1.00 . A A . 5 ALA HB2 1 1
10 1068 1 1 5 ALA HB3 H 1.896 0.924 3.447 1.00 . A A . 5 ALA HB3 1 1
10 1069 1 1 5 ALA N N 3.056 3.285 2.851 1.00 . A A . 5 ALA N 1 1
10 1070 1 1 5 ALA O O 0.068 3.063 4.833 1.00 . A A . 5 ALA O 1 1
10 1071 1 1 6 LEU C C 2.296 5.746 6.854 1.00 . A A . 6 LEU C 1 1
10 1072 1 1 6 LEU CA C 1.805 4.330 6.576 1.00 . A A . 6 LEU CA 1 1
10 1073 1 1 6 LEU CB C 2.471 3.355 7.549 1.00 . A A . 6 LEU CB 1 1
10 1074 1 1 6 LEU CD1 C 2.719 1.167 6.368 1.00 . A A . 6 LEU CD1 1 1
10 1075 1 1 6 LEU CD2 C 1.856 1.232 8.709 1.00 . A A . 6 LEU CD2 1 1
10 1076 1 1 6 LEU CG C 1.872 1.961 7.364 1.00 . A A . 6 LEU CG 1 1
10 1077 1 1 6 LEU H H 2.991 4.147 4.833 1.00 . A A . 6 LEU H 1 1
10 1078 1 1 6 LEU HA H 0.738 4.295 6.722 1.00 . A A . 6 LEU HA 1 1
10 1079 1 1 6 LEU HB2 H 3.533 3.321 7.352 1.00 . A A . 6 LEU HB2 1 1
10 1080 1 1 6 LEU HB3 H 2.303 3.685 8.562 1.00 . A A . 6 LEU HB3 1 1
10 1081 1 1 6 LEU HD11 H 2.076 0.554 5.755 1.00 . A A . 6 LEU HD11 1 1
10 1082 1 1 6 LEU HD12 H 3.411 0.536 6.907 1.00 . A A . 6 LEU HD12 1 1
10 1083 1 1 6 LEU HD13 H 3.271 1.851 5.740 1.00 . A A . 6 LEU HD13 1 1
10 1084 1 1 6 LEU HD21 H 1.081 1.649 9.335 1.00 . A A . 6 LEU HD21 1 1
10 1085 1 1 6 LEU HD22 H 2.813 1.353 9.194 1.00 . A A . 6 LEU HD22 1 1
10 1086 1 1 6 LEU HD23 H 1.664 0.182 8.548 1.00 . A A . 6 LEU HD23 1 1
10 1087 1 1 6 LEU HG H 0.862 2.049 6.987 1.00 . A A . 6 LEU HG 1 1
10 1088 1 1 6 LEU N N 2.105 3.949 5.204 1.00 . A A . 6 LEU N 1 1
10 1089 1 1 6 LEU O O 2.844 6.029 7.919 1.00 . A A . 6 LEU O 1 1
10 1090 1 1 7 CYS C C 1.805 8.903 5.006 1.00 . A A . 7 CYS C 1 1
10 1091 1 1 7 CYS CA C 2.523 8.019 6.022 1.00 . A A . 7 CYS CA 1 1
10 1092 1 1 7 CYS CB C 4.034 8.119 5.813 1.00 . A A . 7 CYS CB 1 1
10 1093 1 1 7 CYS H H 1.654 6.346 5.056 1.00 . A A . 7 CYS H 1 1
10 1094 1 1 7 CYS HA H 2.284 8.363 7.017 1.00 . A A . 7 CYS HA 1 1
10 1095 1 1 7 CYS HB2 H 4.328 9.160 5.803 1.00 . A A . 7 CYS HB2 1 1
10 1096 1 1 7 CYS HB3 H 4.540 7.608 6.616 1.00 . A A . 7 CYS HB3 1 1
10 1097 1 1 7 CYS N N 2.096 6.632 5.883 1.00 . A A . 7 CYS N 1 1
10 1098 1 1 7 CYS O O 1.032 9.788 5.374 1.00 . A A . 7 CYS O 1 1
10 1099 1 1 7 CYS SG S 4.471 7.351 4.232 1.00 . A A . 7 CYS SG 1 1
10 1100 1 1 8 ALA C C 0.015 8.956 2.419 1.00 . A A . 8 ALA C 1 1
10 1101 1 1 8 ALA CA C 1.442 9.435 2.662 1.00 . A A . 8 ALA CA 1 1
10 1102 1 1 8 ALA CB C 2.255 9.299 1.374 1.00 . A A . 8 ALA CB 1 1
10 1103 1 1 8 ALA H H 2.693 7.941 3.491 1.00 . A A . 8 ALA H 1 1
10 1104 1 1 8 ALA HA H 1.420 10.474 2.953 1.00 . A A . 8 ALA HA 1 1
10 1105 1 1 8 ALA HB1 H 2.964 8.491 1.481 1.00 . A A . 8 ALA HB1 1 1
10 1106 1 1 8 ALA HB2 H 2.785 10.220 1.184 1.00 . A A . 8 ALA HB2 1 1
10 1107 1 1 8 ALA HB3 H 1.592 9.087 0.548 1.00 . A A . 8 ALA HB3 1 1
10 1108 1 1 8 ALA N N 2.067 8.658 3.726 1.00 . A A . 8 ALA N 1 1
10 1109 1 1 8 ALA O O -0.463 8.155 3.205 1.00 . A A . 8 ALA O 1 1
10 1110 1 1 8 ALA OXT O -0.580 9.398 1.449 1.00 . A A . 8 ALA OXT 1 1
11 1111 1 1 1 PHE C C 10.120 6.968 -0.983 1.00 . A A . 1 PHE C 1 1
11 1112 1 1 1 PHE CA C 10.597 6.724 -2.412 1.00 . A A . 1 PHE CA 1 1
11 1113 1 1 1 PHE CB C 9.533 5.941 -3.185 1.00 . A A . 1 PHE CB 1 1
11 1114 1 1 1 PHE CD1 C 9.962 3.786 -1.948 1.00 . A A . 1 PHE CD1 1 1
11 1115 1 1 1 PHE CD2 C 7.713 4.695 -1.963 1.00 . A A . 1 PHE CD2 1 1
11 1116 1 1 1 PHE CE1 C 9.521 2.710 -1.168 1.00 . A A . 1 PHE CE1 1 1
11 1117 1 1 1 PHE CE2 C 7.273 3.619 -1.183 1.00 . A A . 1 PHE CE2 1 1
11 1118 1 1 1 PHE CG C 9.058 4.779 -2.345 1.00 . A A . 1 PHE CG 1 1
11 1119 1 1 1 PHE CZ C 8.177 2.626 -0.785 1.00 . A A . 1 PHE CZ 1 1
11 1120 1 1 1 PHE H1 H 12.670 6.585 -2.262 1.00 . A A . 1 PHE H1 1 1
11 1121 1 1 1 PHE H2 H 11.969 5.421 -3.281 1.00 . A A . 1 PHE H2 1 1
11 1122 1 1 1 PHE H3 H 11.839 5.267 -1.594 1.00 . A A . 1 PHE H3 1 1
11 1123 1 1 1 PHE HA H 10.771 7.671 -2.902 1.00 . A A . 1 PHE HA 1 1
11 1124 1 1 1 PHE HB2 H 8.699 6.590 -3.407 1.00 . A A . 1 PHE HB2 1 1
11 1125 1 1 1 PHE HB3 H 9.957 5.571 -4.106 1.00 . A A . 1 PHE HB3 1 1
11 1126 1 1 1 PHE HD1 H 10.999 3.850 -2.243 1.00 . A A . 1 PHE HD1 1 1
11 1127 1 1 1 PHE HD2 H 7.016 5.460 -2.270 1.00 . A A . 1 PHE HD2 1 1
11 1128 1 1 1 PHE HE1 H 10.219 1.945 -0.861 1.00 . A A . 1 PHE HE1 1 1
11 1129 1 1 1 PHE HE2 H 6.236 3.554 -0.889 1.00 . A A . 1 PHE HE2 1 1
11 1130 1 1 1 PHE HZ H 7.837 1.797 -0.183 1.00 . A A . 1 PHE HZ 1 1
11 1131 1 1 1 PHE N N 11.864 5.941 -2.385 1.00 . A A . 1 PHE N 1 1
11 1132 1 1 1 PHE O O 9.908 6.024 -0.222 1.00 . A A . 1 PHE O 1 1
11 1133 1 1 2 SER C C 8.119 7.961 0.976 1.00 . A A . 2 SER C 1 1
11 1134 1 1 2 SER CA C 9.489 8.577 0.718 1.00 . A A . 2 SER CA 1 1
11 1135 1 1 2 SER CB C 9.409 10.096 0.877 1.00 . A A . 2 SER CB 1 1
11 1136 1 1 2 SER H H 10.127 8.952 -1.268 1.00 . A A . 2 SER H 1 1
11 1137 1 1 2 SER HA H 10.191 8.186 1.439 1.00 . A A . 2 SER HA 1 1
11 1138 1 1 2 SER HB2 H 10.391 10.524 0.770 1.00 . A A . 2 SER HB2 1 1
11 1139 1 1 2 SER HB3 H 8.755 10.503 0.118 1.00 . A A . 2 SER HB3 1 1
11 1140 1 1 2 SER HG H 8.525 9.607 2.541 1.00 . A A . 2 SER HG 1 1
11 1141 1 1 2 SER N N 9.948 8.236 -0.623 1.00 . A A . 2 SER N 1 1
11 1142 1 1 2 SER O O 7.399 7.616 0.039 1.00 . A A . 2 SER O 1 1
11 1143 1 1 2 SER OG O 8.905 10.406 2.170 1.00 . A A . 2 SER OG 1 1
11 1144 1 1 3 DAL C C 6.369 5.819 2.050 1.00 . A A . 3 DAL C 1 1
11 1145 1 1 3 DAL CA C 6.479 7.235 2.605 1.00 . A A . 3 DAL CA 1 1
11 1146 1 1 3 DAL CB C 6.321 7.202 4.125 1.00 . A A . 3 DAL CB 1 1
11 1147 1 1 3 DAL H H 8.379 8.107 2.956 1.00 . A A . 3 DAL H 1 1
11 1148 1 1 3 DAL HA H 5.689 7.840 2.185 1.00 . A A . 3 DAL HA 1 1
11 1149 1 1 3 DAL HB1 H 6.820 8.055 4.559 1.00 . A A . 3 DAL HB1 1 1
11 1150 1 1 3 DAL HB2 H 6.757 6.293 4.514 1.00 . A A . 3 DAL HB2 1 1
11 1151 1 1 3 DAL N N 7.766 7.819 2.248 1.00 . A A . 3 DAL N 1 1
11 1152 1 1 3 DAL O O 6.937 5.510 1.003 1.00 . A A . 3 DAL O 1 1
11 1153 1 1 4 LEU C C 4.008 3.279 2.022 1.00 . A A . 4 LEU C 1 1
11 1154 1 1 4 LEU CA C 5.471 3.584 2.312 1.00 . A A . 4 LEU CA 1 1
11 1155 1 1 4 LEU CB C 6.020 2.616 3.370 1.00 . A A . 4 LEU CB 1 1
11 1156 1 1 4 LEU CD1 C 8.279 3.475 2.740 1.00 . A A . 4 LEU CD1 1 1
11 1157 1 1 4 LEU CD2 C 8.068 1.431 4.158 1.00 . A A . 4 LEU CD2 1 1
11 1158 1 1 4 LEU CG C 7.448 2.217 3.002 1.00 . A A . 4 LEU CG 1 1
11 1159 1 1 4 LEU H H 5.207 5.262 3.584 1.00 . A A . 4 LEU H 1 1
11 1160 1 1 4 LEU HA H 6.026 3.441 1.402 1.00 . A A . 4 LEU HA 1 1
11 1161 1 1 4 LEU HB2 H 6.023 3.099 4.336 1.00 . A A . 4 LEU HB2 1 1
11 1162 1 1 4 LEU HB3 H 5.402 1.730 3.407 1.00 . A A . 4 LEU HB3 1 1
11 1163 1 1 4 LEU HD11 H 9.306 3.293 3.019 1.00 . A A . 4 LEU HD11 1 1
11 1164 1 1 4 LEU HD12 H 7.887 4.293 3.329 1.00 . A A . 4 LEU HD12 1 1
11 1165 1 1 4 LEU HD13 H 8.229 3.730 1.692 1.00 . A A . 4 LEU HD13 1 1
11 1166 1 1 4 LEU HD21 H 7.592 1.716 5.084 1.00 . A A . 4 LEU HD21 1 1
11 1167 1 1 4 LEU HD22 H 9.125 1.648 4.214 1.00 . A A . 4 LEU HD22 1 1
11 1168 1 1 4 LEU HD23 H 7.926 0.373 3.990 1.00 . A A . 4 LEU HD23 1 1
11 1169 1 1 4 LEU HG H 7.433 1.605 2.112 1.00 . A A . 4 LEU HG 1 1
11 1170 1 1 4 LEU N N 5.638 4.962 2.755 1.00 . A A . 4 LEU N 1 1
11 1171 1 1 4 LEU O O 3.624 3.104 0.866 1.00 . A A . 4 LEU O 1 1
11 1172 1 1 5 ALA C C 0.951 3.692 3.899 1.00 . A A . 5 ALA C 1 1
11 1173 1 1 5 ALA CA C 1.786 2.918 2.887 1.00 . A A . 5 ALA CA 1 1
11 1174 1 1 5 ALA CB C 1.566 1.418 3.047 1.00 . A A . 5 ALA CB 1 1
11 1175 1 1 5 ALA H H 3.542 3.353 3.968 1.00 . A A . 5 ALA H 1 1
11 1176 1 1 5 ALA HA H 1.491 3.211 1.892 1.00 . A A . 5 ALA HA 1 1
11 1177 1 1 5 ALA HB1 H 1.678 0.938 2.086 1.00 . A A . 5 ALA HB1 1 1
11 1178 1 1 5 ALA HB2 H 0.575 1.237 3.429 1.00 . A A . 5 ALA HB2 1 1
11 1179 1 1 5 ALA HB3 H 2.299 1.021 3.734 1.00 . A A . 5 ALA HB3 1 1
11 1180 1 1 5 ALA N N 3.194 3.208 3.066 1.00 . A A . 5 ALA N 1 1
11 1181 1 1 5 ALA O O -0.213 4.007 3.652 1.00 . A A . 5 ALA O 1 1
11 1182 1 1 6 LEU C C 1.857 5.552 6.915 1.00 . A A . 6 LEU C 1 1
11 1183 1 1 6 LEU CA C 0.866 4.736 6.090 1.00 . A A . 6 LEU CA 1 1
11 1184 1 1 6 LEU CB C 0.116 3.767 7.005 1.00 . A A . 6 LEU CB 1 1
11 1185 1 1 6 LEU CD1 C 0.444 1.878 8.610 1.00 . A A . 6 LEU CD1 1 1
11 1186 1 1 6 LEU CD2 C 1.260 1.667 6.259 1.00 . A A . 6 LEU CD2 1 1
11 1187 1 1 6 LEU CG C 1.055 2.634 7.429 1.00 . A A . 6 LEU CG 1 1
11 1188 1 1 6 LEU H H 2.488 3.719 5.182 1.00 . A A . 6 LEU H 1 1
11 1189 1 1 6 LEU HA H 0.155 5.405 5.632 1.00 . A A . 6 LEU HA 1 1
11 1190 1 1 6 LEU HB2 H -0.229 4.296 7.881 1.00 . A A . 6 LEU HB2 1 1
11 1191 1 1 6 LEU HB3 H -0.730 3.354 6.477 1.00 . A A . 6 LEU HB3 1 1
11 1192 1 1 6 LEU HD11 H 1.216 1.319 9.118 1.00 . A A . 6 LEU HD11 1 1
11 1193 1 1 6 LEU HD12 H -0.314 1.197 8.248 1.00 . A A . 6 LEU HD12 1 1
11 1194 1 1 6 LEU HD13 H -0.002 2.582 9.296 1.00 . A A . 6 LEU HD13 1 1
11 1195 1 1 6 LEU HD21 H 2.165 1.929 5.731 1.00 . A A . 6 LEU HD21 1 1
11 1196 1 1 6 LEU HD22 H 0.419 1.730 5.585 1.00 . A A . 6 LEU HD22 1 1
11 1197 1 1 6 LEU HD23 H 1.344 0.659 6.636 1.00 . A A . 6 LEU HD23 1 1
11 1198 1 1 6 LEU HG H 2.008 3.050 7.725 1.00 . A A . 6 LEU HG 1 1
11 1199 1 1 6 LEU N N 1.558 3.997 5.043 1.00 . A A . 6 LEU N 1 1
11 1200 1 1 6 LEU O O 2.105 5.247 8.081 1.00 . A A . 6 LEU O 1 1
11 1201 1 1 7 CYS C C 2.947 8.899 6.946 1.00 . A A . 7 CYS C 1 1
11 1202 1 1 7 CYS CA C 3.385 7.438 6.995 1.00 . A A . 7 CYS CA 1 1
11 1203 1 1 7 CYS CB C 4.759 7.298 6.342 1.00 . A A . 7 CYS CB 1 1
11 1204 1 1 7 CYS H H 2.188 6.786 5.372 1.00 . A A . 7 CYS H 1 1
11 1205 1 1 7 CYS HA H 3.454 7.126 8.026 1.00 . A A . 7 CYS HA 1 1
11 1206 1 1 7 CYS HB2 H 5.376 8.140 6.617 1.00 . A A . 7 CYS HB2 1 1
11 1207 1 1 7 CYS HB3 H 5.226 6.384 6.676 1.00 . A A . 7 CYS HB3 1 1
11 1208 1 1 7 CYS N N 2.421 6.589 6.304 1.00 . A A . 7 CYS N 1 1
11 1209 1 1 7 CYS O O 2.534 9.468 7.956 1.00 . A A . 7 CYS O 1 1
11 1210 1 1 7 CYS SG S 4.562 7.253 4.544 1.00 . A A . 7 CYS SG 1 1
11 1211 1 1 8 ALA C C 1.148 11.058 5.773 1.00 . A A . 8 ALA C 1 1
11 1212 1 1 8 ALA CA C 2.653 10.894 5.593 1.00 . A A . 8 ALA CA 1 1
11 1213 1 1 8 ALA CB C 3.059 11.381 4.201 1.00 . A A . 8 ALA CB 1 1
11 1214 1 1 8 ALA H H 3.378 8.996 4.994 1.00 . A A . 8 ALA H 1 1
11 1215 1 1 8 ALA HA H 3.162 11.494 6.334 1.00 . A A . 8 ALA HA 1 1
11 1216 1 1 8 ALA HB1 H 2.869 12.441 4.119 1.00 . A A . 8 ALA HB1 1 1
11 1217 1 1 8 ALA HB2 H 2.484 10.854 3.454 1.00 . A A . 8 ALA HB2 1 1
11 1218 1 1 8 ALA HB3 H 4.111 11.190 4.046 1.00 . A A . 8 ALA HB3 1 1
11 1219 1 1 8 ALA N N 3.041 9.499 5.764 1.00 . A A . 8 ALA N 1 1
11 1220 1 1 8 ALA O O 0.725 11.287 6.895 1.00 . A A . 8 ALA O 1 1
11 1221 1 1 8 ALA OXT O 0.438 10.952 4.786 1.00 . A A . 8 ALA OXT 1 1
12 1222 1 1 1 PHE C C 11.804 5.574 5.553 1.00 . A A . 1 PHE C 1 1
12 1223 1 1 1 PHE CA C 13.264 5.616 5.114 1.00 . A A . 1 PHE CA 1 1
12 1224 1 1 1 PHE CB C 13.588 4.402 4.237 1.00 . A A . 1 PHE CB 1 1
12 1225 1 1 1 PHE CD1 C 11.610 2.881 3.888 1.00 . A A . 1 PHE CD1 1 1
12 1226 1 1 1 PHE CD2 C 13.060 2.487 5.791 1.00 . A A . 1 PHE CD2 1 1
12 1227 1 1 1 PHE CE1 C 10.815 1.793 4.267 1.00 . A A . 1 PHE CE1 1 1
12 1228 1 1 1 PHE CE2 C 12.264 1.399 6.170 1.00 . A A . 1 PHE CE2 1 1
12 1229 1 1 1 PHE CG C 12.732 3.228 4.650 1.00 . A A . 1 PHE CG 1 1
12 1230 1 1 1 PHE CZ C 11.142 1.052 5.408 1.00 . A A . 1 PHE CZ 1 1
12 1231 1 1 1 PHE H1 H 14.174 4.648 6.716 1.00 . A A . 1 PHE H1 1 1
12 1232 1 1 1 PHE H2 H 13.763 6.267 7.026 1.00 . A A . 1 PHE H2 1 1
12 1233 1 1 1 PHE H3 H 15.102 5.900 6.047 1.00 . A A . 1 PHE H3 1 1
12 1234 1 1 1 PHE HA H 13.442 6.520 4.552 1.00 . A A . 1 PHE HA 1 1
12 1235 1 1 1 PHE HB2 H 13.392 4.645 3.203 1.00 . A A . 1 PHE HB2 1 1
12 1236 1 1 1 PHE HB3 H 14.631 4.144 4.353 1.00 . A A . 1 PHE HB3 1 1
12 1237 1 1 1 PHE HD1 H 11.358 3.453 3.007 1.00 . A A . 1 PHE HD1 1 1
12 1238 1 1 1 PHE HD2 H 13.924 2.755 6.379 1.00 . A A . 1 PHE HD2 1 1
12 1239 1 1 1 PHE HE1 H 9.949 1.527 3.679 1.00 . A A . 1 PHE HE1 1 1
12 1240 1 1 1 PHE HE2 H 12.517 0.827 7.051 1.00 . A A . 1 PHE HE2 1 1
12 1241 1 1 1 PHE HZ H 10.528 0.212 5.701 1.00 . A A . 1 PHE HZ 1 1
12 1242 1 1 1 PHE N N 14.143 5.606 6.316 1.00 . A A . 1 PHE N 1 1
12 1243 1 1 1 PHE O O 11.434 4.806 6.441 1.00 . A A . 1 PHE O 1 1
12 1244 1 1 2 SER C C 8.735 6.729 4.007 1.00 . A A . 2 SER C 1 1
12 1245 1 1 2 SER CA C 9.562 6.458 5.258 1.00 . A A . 2 SER CA 1 1
12 1246 1 1 2 SER CB C 9.306 7.557 6.289 1.00 . A A . 2 SER CB 1 1
12 1247 1 1 2 SER H H 11.332 6.995 4.226 1.00 . A A . 2 SER H 1 1
12 1248 1 1 2 SER HA H 9.266 5.509 5.678 1.00 . A A . 2 SER HA 1 1
12 1249 1 1 2 SER HB2 H 10.080 8.304 6.222 1.00 . A A . 2 SER HB2 1 1
12 1250 1 1 2 SER HB3 H 8.346 8.017 6.090 1.00 . A A . 2 SER HB3 1 1
12 1251 1 1 2 SER HG H 9.256 6.036 7.502 1.00 . A A . 2 SER HG 1 1
12 1252 1 1 2 SER N N 10.980 6.406 4.926 1.00 . A A . 2 SER N 1 1
12 1253 1 1 2 SER O O 9.277 6.864 2.910 1.00 . A A . 2 SER O 1 1
12 1254 1 1 2 SER OG O 9.314 6.991 7.593 1.00 . A A . 2 SER OG 1 1
12 1255 1 1 3 DAL C C 6.339 5.795 2.226 1.00 . A A . 3 DAL C 1 1
12 1256 1 1 3 DAL CA C 6.533 7.063 3.050 1.00 . A A . 3 DAL CA 1 1
12 1257 1 1 3 DAL CB C 5.177 7.558 3.557 1.00 . A A . 3 DAL CB 1 1
12 1258 1 1 3 DAL H H 7.040 6.691 5.073 1.00 . A A . 3 DAL H 1 1
12 1259 1 1 3 DAL HA H 6.972 7.825 2.424 1.00 . A A . 3 DAL HA 1 1
12 1260 1 1 3 DAL HB1 H 4.508 6.720 3.673 1.00 . A A . 3 DAL HB1 1 1
12 1261 1 1 3 DAL HB2 H 4.760 8.256 2.844 1.00 . A A . 3 DAL HB2 1 1
12 1262 1 1 3 DAL N N 7.420 6.807 4.177 1.00 . A A . 3 DAL N 1 1
12 1263 1 1 3 DAL O O 6.847 5.683 1.110 1.00 . A A . 3 DAL O 1 1
12 1264 1 1 4 LEU C C 3.847 3.406 1.864 1.00 . A A . 4 LEU C 1 1
12 1265 1 1 4 LEU CA C 5.338 3.588 2.088 1.00 . A A . 4 LEU CA 1 1
12 1266 1 1 4 LEU CB C 5.899 2.405 2.885 1.00 . A A . 4 LEU CB 1 1
12 1267 1 1 4 LEU CD1 C 5.826 1.416 5.176 1.00 . A A . 4 LEU CD1 1 1
12 1268 1 1 4 LEU CD2 C 7.148 3.491 4.767 1.00 . A A . 4 LEU CD2 1 1
12 1269 1 1 4 LEU CG C 5.880 2.722 4.383 1.00 . A A . 4 LEU CG 1 1
12 1270 1 1 4 LEU H H 5.216 4.991 3.674 1.00 . A A . 4 LEU H 1 1
12 1271 1 1 4 LEU HA H 5.820 3.612 1.127 1.00 . A A . 4 LEU HA 1 1
12 1272 1 1 4 LEU HB2 H 5.297 1.529 2.696 1.00 . A A . 4 LEU HB2 1 1
12 1273 1 1 4 LEU HB3 H 6.915 2.213 2.574 1.00 . A A . 4 LEU HB3 1 1
12 1274 1 1 4 LEU HD11 H 4.943 0.859 4.894 1.00 . A A . 4 LEU HD11 1 1
12 1275 1 1 4 LEU HD12 H 5.789 1.636 6.232 1.00 . A A . 4 LEU HD12 1 1
12 1276 1 1 4 LEU HD13 H 6.706 0.827 4.961 1.00 . A A . 4 LEU HD13 1 1
12 1277 1 1 4 LEU HD21 H 7.049 4.524 4.470 1.00 . A A . 4 LEU HD21 1 1
12 1278 1 1 4 LEU HD22 H 8.001 3.054 4.271 1.00 . A A . 4 LEU HD22 1 1
12 1279 1 1 4 LEU HD23 H 7.289 3.437 5.836 1.00 . A A . 4 LEU HD23 1 1
12 1280 1 1 4 LEU HG H 5.011 3.320 4.614 1.00 . A A . 4 LEU HG 1 1
12 1281 1 1 4 LEU N N 5.597 4.843 2.782 1.00 . A A . 4 LEU N 1 1
12 1282 1 1 4 LEU O O 3.366 3.503 0.736 1.00 . A A . 4 LEU O 1 1
12 1283 1 1 5 ALA C C 0.985 3.534 4.054 1.00 . A A . 5 ALA C 1 1
12 1284 1 1 5 ALA CA C 1.690 2.950 2.833 1.00 . A A . 5 ALA CA 1 1
12 1285 1 1 5 ALA CB C 1.390 1.460 2.704 1.00 . A A . 5 ALA CB 1 1
12 1286 1 1 5 ALA H H 3.554 3.071 3.812 1.00 . A A . 5 ALA H 1 1
12 1287 1 1 5 ALA HA H 1.331 3.455 1.949 1.00 . A A . 5 ALA HA 1 1
12 1288 1 1 5 ALA HB1 H 2.162 0.896 3.206 1.00 . A A . 5 ALA HB1 1 1
12 1289 1 1 5 ALA HB2 H 1.372 1.191 1.658 1.00 . A A . 5 ALA HB2 1 1
12 1290 1 1 5 ALA HB3 H 0.434 1.243 3.150 1.00 . A A . 5 ALA HB3 1 1
12 1291 1 1 5 ALA N N 3.121 3.140 2.937 1.00 . A A . 5 ALA N 1 1
12 1292 1 1 5 ALA O O -0.242 3.597 4.104 1.00 . A A . 5 ALA O 1 1
12 1293 1 1 6 LEU C C 2.183 5.573 6.846 1.00 . A A . 6 LEU C 1 1
12 1294 1 1 6 LEU CA C 1.224 4.542 6.255 1.00 . A A . 6 LEU CA 1 1
12 1295 1 1 6 LEU CB C 0.974 3.443 7.288 1.00 . A A . 6 LEU CB 1 1
12 1296 1 1 6 LEU CD1 C -0.531 1.468 7.542 1.00 . A A . 6 LEU CD1 1 1
12 1297 1 1 6 LEU CD2 C -1.353 3.752 8.142 1.00 . A A . 6 LEU CD2 1 1
12 1298 1 1 6 LEU CG C -0.470 2.953 7.179 1.00 . A A . 6 LEU CG 1 1
12 1299 1 1 6 LEU H H 2.749 3.887 4.936 1.00 . A A . 6 LEU H 1 1
12 1300 1 1 6 LEU HA H 0.289 5.023 6.022 1.00 . A A . 6 LEU HA 1 1
12 1301 1 1 6 LEU HB2 H 1.650 2.620 7.107 1.00 . A A . 6 LEU HB2 1 1
12 1302 1 1 6 LEU HB3 H 1.144 3.837 8.279 1.00 . A A . 6 LEU HB3 1 1
12 1303 1 1 6 LEU HD11 H -0.331 0.875 6.662 1.00 . A A . 6 LEU HD11 1 1
12 1304 1 1 6 LEU HD12 H -1.514 1.231 7.922 1.00 . A A . 6 LEU HD12 1 1
12 1305 1 1 6 LEU HD13 H 0.208 1.253 8.298 1.00 . A A . 6 LEU HD13 1 1
12 1306 1 1 6 LEU HD21 H -0.905 4.717 8.325 1.00 . A A . 6 LEU HD21 1 1
12 1307 1 1 6 LEU HD22 H -1.445 3.215 9.075 1.00 . A A . 6 LEU HD22 1 1
12 1308 1 1 6 LEU HD23 H -2.331 3.885 7.707 1.00 . A A . 6 LEU HD23 1 1
12 1309 1 1 6 LEU HG H -0.822 3.091 6.168 1.00 . A A . 6 LEU HG 1 1
12 1310 1 1 6 LEU N N 1.777 3.962 5.035 1.00 . A A . 6 LEU N 1 1
12 1311 1 1 6 LEU O O 2.794 5.335 7.887 1.00 . A A . 6 LEU O 1 1
12 1312 1 1 7 CYS C C 2.510 8.612 7.730 1.00 . A A . 7 CYS C 1 1
12 1313 1 1 7 CYS CA C 3.202 7.768 6.664 1.00 . A A . 7 CYS CA 1 1
12 1314 1 1 7 CYS CB C 3.640 8.664 5.503 1.00 . A A . 7 CYS CB 1 1
12 1315 1 1 7 CYS H H 1.803 6.858 5.356 1.00 . A A . 7 CYS H 1 1
12 1316 1 1 7 CYS HA H 4.078 7.308 7.098 1.00 . A A . 7 CYS HA 1 1
12 1317 1 1 7 CYS HB2 H 3.056 8.428 4.627 1.00 . A A . 7 CYS HB2 1 1
12 1318 1 1 7 CYS HB3 H 3.489 9.700 5.770 1.00 . A A . 7 CYS HB3 1 1
12 1319 1 1 7 CYS N N 2.312 6.718 6.182 1.00 . A A . 7 CYS N 1 1
12 1320 1 1 7 CYS O O 3.068 9.596 8.215 1.00 . A A . 7 CYS O 1 1
12 1321 1 1 7 CYS SG S 5.394 8.384 5.152 1.00 . A A . 7 CYS SG 1 1
12 1322 1 1 8 ALA C C 1.218 8.844 10.459 1.00 . A A . 8 ALA C 1 1
12 1323 1 1 8 ALA CA C 0.534 8.948 9.100 1.00 . A A . 8 ALA CA 1 1
12 1324 1 1 8 ALA CB C -0.884 8.385 9.194 1.00 . A A . 8 ALA CB 1 1
12 1325 1 1 8 ALA H H 0.899 7.428 7.669 1.00 . A A . 8 ALA H 1 1
12 1326 1 1 8 ALA HA H 0.478 9.988 8.815 1.00 . A A . 8 ALA HA 1 1
12 1327 1 1 8 ALA HB1 H -1.433 8.642 8.300 1.00 . A A . 8 ALA HB1 1 1
12 1328 1 1 8 ALA HB2 H -1.382 8.804 10.055 1.00 . A A . 8 ALA HB2 1 1
12 1329 1 1 8 ALA HB3 H -0.838 7.310 9.292 1.00 . A A . 8 ALA HB3 1 1
12 1330 1 1 8 ALA N N 1.293 8.221 8.089 1.00 . A A . 8 ALA N 1 1
12 1331 1 1 8 ALA O O 1.837 7.824 10.711 1.00 . A A . 8 ALA O 1 1
12 1332 1 1 8 ALA OXT O 1.112 9.786 11.227 1.00 . A A . 8 ALA OXT 1 1
13 1333 1 1 1 PHE C C 8.682 2.588 6.469 1.00 . A A . 1 PHE C 1 1
13 1334 1 1 1 PHE CA C 9.051 1.113 6.362 1.00 . A A . 1 PHE CA 1 1
13 1335 1 1 1 PHE CB C 7.785 0.254 6.370 1.00 . A A . 1 PHE CB 1 1
13 1336 1 1 1 PHE CD1 C 6.934 -1.507 4.779 1.00 . A A . 1 PHE CD1 1 1
13 1337 1 1 1 PHE CD2 C 9.265 -1.565 5.445 1.00 . A A . 1 PHE CD2 1 1
13 1338 1 1 1 PHE CE1 C 7.133 -2.641 3.984 1.00 . A A . 1 PHE CE1 1 1
13 1339 1 1 1 PHE CE2 C 9.464 -2.699 4.649 1.00 . A A . 1 PHE CE2 1 1
13 1340 1 1 1 PHE CG C 8.000 -0.968 5.511 1.00 . A A . 1 PHE CG 1 1
13 1341 1 1 1 PHE CZ C 8.398 -3.238 3.918 1.00 . A A . 1 PHE CZ 1 1
13 1342 1 1 1 PHE H1 H 9.385 0.885 8.405 1.00 . A A . 1 PHE H1 1 1
13 1343 1 1 1 PHE H2 H 10.767 1.325 7.522 1.00 . A A . 1 PHE H2 1 1
13 1344 1 1 1 PHE H3 H 10.177 -0.266 7.445 1.00 . A A . 1 PHE H3 1 1
13 1345 1 1 1 PHE HA H 9.594 0.944 5.444 1.00 . A A . 1 PHE HA 1 1
13 1346 1 1 1 PHE HB2 H 7.562 -0.052 7.381 1.00 . A A . 1 PHE HB2 1 1
13 1347 1 1 1 PHE HB3 H 6.959 0.828 5.976 1.00 . A A . 1 PHE HB3 1 1
13 1348 1 1 1 PHE HD1 H 5.958 -1.048 4.830 1.00 . A A . 1 PHE HD1 1 1
13 1349 1 1 1 PHE HD2 H 10.088 -1.150 6.008 1.00 . A A . 1 PHE HD2 1 1
13 1350 1 1 1 PHE HE1 H 6.310 -3.057 3.420 1.00 . A A . 1 PHE HE1 1 1
13 1351 1 1 1 PHE HE2 H 10.440 -3.160 4.599 1.00 . A A . 1 PHE HE2 1 1
13 1352 1 1 1 PHE HZ H 8.551 -4.114 3.305 1.00 . A A . 1 PHE HZ 1 1
13 1353 1 1 1 PHE N N 9.910 0.735 7.521 1.00 . A A . 1 PHE N 1 1
13 1354 1 1 1 PHE O O 7.802 2.963 7.245 1.00 . A A . 1 PHE O 1 1
13 1355 1 1 2 SER C C 8.405 5.292 4.416 1.00 . A A . 2 SER C 1 1
13 1356 1 1 2 SER CA C 9.097 4.856 5.704 1.00 . A A . 2 SER CA 1 1
13 1357 1 1 2 SER CB C 10.408 5.625 5.870 1.00 . A A . 2 SER CB 1 1
13 1358 1 1 2 SER H H 10.052 3.066 5.090 1.00 . A A . 2 SER H 1 1
13 1359 1 1 2 SER HA H 8.453 5.083 6.542 1.00 . A A . 2 SER HA 1 1
13 1360 1 1 2 SER HB2 H 10.602 6.206 4.983 1.00 . A A . 2 SER HB2 1 1
13 1361 1 1 2 SER HB3 H 10.331 6.288 6.722 1.00 . A A . 2 SER HB3 1 1
13 1362 1 1 2 SER HG H 11.602 4.223 5.244 1.00 . A A . 2 SER HG 1 1
13 1363 1 1 2 SER N N 9.361 3.422 5.688 1.00 . A A . 2 SER N 1 1
13 1364 1 1 2 SER O O 8.664 4.744 3.344 1.00 . A A . 2 SER O 1 1
13 1365 1 1 2 SER OG O 11.472 4.703 6.065 1.00 . A A . 2 SER OG 1 1
13 1366 1 1 3 DAL C C 6.533 5.660 2.373 1.00 . A A . 3 DAL C 1 1
13 1367 1 1 3 DAL CA C 6.800 6.786 3.370 1.00 . A A . 3 DAL CA 1 1
13 1368 1 1 3 DAL CB C 5.474 7.412 3.816 1.00 . A A . 3 DAL CB 1 1
13 1369 1 1 3 DAL H H 7.359 6.680 5.410 1.00 . A A . 3 DAL H 1 1
13 1370 1 1 3 DAL HA H 7.397 7.545 2.887 1.00 . A A . 3 DAL HA 1 1
13 1371 1 1 3 DAL HB1 H 4.668 7.013 3.216 1.00 . A A . 3 DAL HB1 1 1
13 1372 1 1 3 DAL HB2 H 5.525 8.481 3.684 1.00 . A A . 3 DAL HB2 1 1
13 1373 1 1 3 DAL N N 7.525 6.282 4.530 1.00 . A A . 3 DAL N 1 1
13 1374 1 1 3 DAL O O 7.238 5.521 1.374 1.00 . A A . 3 DAL O 1 1
13 1375 1 1 4 LEU C C 3.647 3.556 1.735 1.00 . A A . 4 LEU C 1 1
13 1376 1 1 4 LEU CA C 5.156 3.746 1.777 1.00 . A A . 4 LEU CA 1 1
13 1377 1 1 4 LEU CB C 5.842 2.459 2.254 1.00 . A A . 4 LEU CB 1 1
13 1378 1 1 4 LEU CD1 C 8.063 1.316 2.211 1.00 . A A . 4 LEU CD1 1 1
13 1379 1 1 4 LEU CD2 C 6.742 1.560 0.105 1.00 . A A . 4 LEU CD2 1 1
13 1380 1 1 4 LEU CG C 7.111 2.226 1.433 1.00 . A A . 4 LEU CG 1 1
13 1381 1 1 4 LEU H H 4.985 5.022 3.463 1.00 . A A . 4 LEU H 1 1
13 1382 1 1 4 LEU HA H 5.492 3.964 0.781 1.00 . A A . 4 LEU HA 1 1
13 1383 1 1 4 LEU HB2 H 6.103 2.553 3.297 1.00 . A A . 4 LEU HB2 1 1
13 1384 1 1 4 LEU HB3 H 5.174 1.620 2.120 1.00 . A A . 4 LEU HB3 1 1
13 1385 1 1 4 LEU HD11 H 7.587 0.362 2.385 1.00 . A A . 4 LEU HD11 1 1
13 1386 1 1 4 LEU HD12 H 8.305 1.774 3.158 1.00 . A A . 4 LEU HD12 1 1
13 1387 1 1 4 LEU HD13 H 8.967 1.169 1.640 1.00 . A A . 4 LEU HD13 1 1
13 1388 1 1 4 LEU HD21 H 7.413 1.905 -0.668 1.00 . A A . 4 LEU HD21 1 1
13 1389 1 1 4 LEU HD22 H 5.728 1.820 -0.157 1.00 . A A . 4 LEU HD22 1 1
13 1390 1 1 4 LEU HD23 H 6.827 0.489 0.204 1.00 . A A . 4 LEU HD23 1 1
13 1391 1 1 4 LEU HG H 7.595 3.173 1.242 1.00 . A A . 4 LEU HG 1 1
13 1392 1 1 4 LEU N N 5.511 4.859 2.654 1.00 . A A . 4 LEU N 1 1
13 1393 1 1 4 LEU O O 3.014 3.805 0.709 1.00 . A A . 4 LEU O 1 1
13 1394 1 1 5 ALA C C 1.112 3.308 4.274 1.00 . A A . 5 ALA C 1 1
13 1395 1 1 5 ALA CA C 1.641 2.909 2.902 1.00 . A A . 5 ALA CA 1 1
13 1396 1 1 5 ALA CB C 1.339 1.445 2.613 1.00 . A A . 5 ALA CB 1 1
13 1397 1 1 5 ALA H H 3.613 2.935 3.638 1.00 . A A . 5 ALA H 1 1
13 1398 1 1 5 ALA HA H 1.164 3.521 2.150 1.00 . A A . 5 ALA HA 1 1
13 1399 1 1 5 ALA HB1 H 0.280 1.269 2.707 1.00 . A A . 5 ALA HB1 1 1
13 1400 1 1 5 ALA HB2 H 1.876 0.824 3.315 1.00 . A A . 5 ALA HB2 1 1
13 1401 1 1 5 ALA HB3 H 1.658 1.208 1.608 1.00 . A A . 5 ALA HB3 1 1
13 1402 1 1 5 ALA N N 3.071 3.119 2.845 1.00 . A A . 5 ALA N 1 1
13 1403 1 1 5 ALA O O -0.031 3.014 4.626 1.00 . A A . 5 ALA O 1 1
13 1404 1 1 6 LEU C C 1.540 5.960 6.424 1.00 . A A . 6 LEU C 1 1
13 1405 1 1 6 LEU CA C 1.586 4.437 6.376 1.00 . A A . 6 LEU CA 1 1
13 1406 1 1 6 LEU CB C 2.591 3.918 7.407 1.00 . A A . 6 LEU CB 1 1
13 1407 1 1 6 LEU CD1 C 0.738 3.179 8.915 1.00 . A A . 6 LEU CD1 1 1
13 1408 1 1 6 LEU CD2 C 1.613 1.635 7.153 1.00 . A A . 6 LEU CD2 1 1
13 1409 1 1 6 LEU CG C 1.990 2.728 8.157 1.00 . A A . 6 LEU CG 1 1
13 1410 1 1 6 LEU H H 2.856 4.192 4.700 1.00 . A A . 6 LEU H 1 1
13 1411 1 1 6 LEU HA H 0.611 4.048 6.612 1.00 . A A . 6 LEU HA 1 1
13 1412 1 1 6 LEU HB2 H 3.495 3.608 6.902 1.00 . A A . 6 LEU HB2 1 1
13 1413 1 1 6 LEU HB3 H 2.824 4.705 8.110 1.00 . A A . 6 LEU HB3 1 1
13 1414 1 1 6 LEU HD11 H 0.841 2.925 9.960 1.00 . A A . 6 LEU HD11 1 1
13 1415 1 1 6 LEU HD12 H -0.130 2.682 8.508 1.00 . A A . 6 LEU HD12 1 1
13 1416 1 1 6 LEU HD13 H 0.621 4.248 8.816 1.00 . A A . 6 LEU HD13 1 1
13 1417 1 1 6 LEU HD21 H 1.905 0.671 7.545 1.00 . A A . 6 LEU HD21 1 1
13 1418 1 1 6 LEU HD22 H 2.123 1.813 6.218 1.00 . A A . 6 LEU HD22 1 1
13 1419 1 1 6 LEU HD23 H 0.545 1.649 6.989 1.00 . A A . 6 LEU HD23 1 1
13 1420 1 1 6 LEU HG H 2.715 2.342 8.857 1.00 . A A . 6 LEU HG 1 1
13 1421 1 1 6 LEU N N 1.961 3.986 5.042 1.00 . A A . 6 LEU N 1 1
13 1422 1 1 6 LEU O O 0.465 6.559 6.456 1.00 . A A . 6 LEU O 1 1
13 1423 1 1 7 CYS C C 1.745 8.657 5.564 1.00 . A A . 7 CYS C 1 1
13 1424 1 1 7 CYS CA C 2.804 8.033 6.466 1.00 . A A . 7 CYS CA 1 1
13 1425 1 1 7 CYS CB C 4.194 8.479 6.003 1.00 . A A . 7 CYS CB 1 1
13 1426 1 1 7 CYS H H 3.536 6.050 6.400 1.00 . A A . 7 CYS H 1 1
13 1427 1 1 7 CYS HA H 2.648 8.369 7.479 1.00 . A A . 7 CYS HA 1 1
13 1428 1 1 7 CYS HB2 H 4.097 9.126 5.145 1.00 . A A . 7 CYS HB2 1 1
13 1429 1 1 7 CYS HB3 H 4.683 9.016 6.802 1.00 . A A . 7 CYS HB3 1 1
13 1430 1 1 7 CYS N N 2.715 6.580 6.426 1.00 . A A . 7 CYS N 1 1
13 1431 1 1 7 CYS O O 1.101 9.641 5.933 1.00 . A A . 7 CYS O 1 1
13 1432 1 1 7 CYS SG S 5.182 7.021 5.563 1.00 . A A . 7 CYS SG 1 1
13 1433 1 1 8 ALA C C -0.825 8.205 3.867 1.00 . A A . 8 ALA C 1 1
13 1434 1 1 8 ALA CA C 0.585 8.588 3.432 1.00 . A A . 8 ALA CA 1 1
13 1435 1 1 8 ALA CB C 0.863 8.023 2.038 1.00 . A A . 8 ALA CB 1 1
13 1436 1 1 8 ALA H H 2.111 7.300 4.140 1.00 . A A . 8 ALA H 1 1
13 1437 1 1 8 ALA HA H 0.660 9.665 3.392 1.00 . A A . 8 ALA HA 1 1
13 1438 1 1 8 ALA HB1 H 1.546 7.188 2.117 1.00 . A A . 8 ALA HB1 1 1
13 1439 1 1 8 ALA HB2 H 1.304 8.790 1.419 1.00 . A A . 8 ALA HB2 1 1
13 1440 1 1 8 ALA HB3 H -0.063 7.689 1.593 1.00 . A A . 8 ALA HB3 1 1
13 1441 1 1 8 ALA N N 1.569 8.080 4.379 1.00 . A A . 8 ALA N 1 1
13 1442 1 1 8 ALA O O -1.003 7.908 5.037 1.00 . A A . 8 ALA O 1 1
13 1443 1 1 8 ALA OXT O -1.706 8.213 3.023 1.00 . A A . 8 ALA OXT 1 1
14 1444 1 1 1 PHE C C 11.160 8.156 0.641 1.00 . A A . 1 PHE C 1 1
14 1445 1 1 1 PHE CA C 11.611 7.684 -0.738 1.00 . A A . 1 PHE CA 1 1
14 1446 1 1 1 PHE CB C 11.262 6.206 -0.932 1.00 . A A . 1 PHE CB 1 1
14 1447 1 1 1 PHE CD1 C 12.424 4.660 0.688 1.00 . A A . 1 PHE CD1 1 1
14 1448 1 1 1 PHE CD2 C 10.303 5.644 1.331 1.00 . A A . 1 PHE CD2 1 1
14 1449 1 1 1 PHE CE1 C 12.487 3.993 1.917 1.00 . A A . 1 PHE CE1 1 1
14 1450 1 1 1 PHE CE2 C 10.367 4.978 2.560 1.00 . A A . 1 PHE CE2 1 1
14 1451 1 1 1 PHE CG C 11.332 5.486 0.395 1.00 . A A . 1 PHE CG 1 1
14 1452 1 1 1 PHE CZ C 11.457 4.151 2.853 1.00 . A A . 1 PHE CZ 1 1
14 1453 1 1 1 PHE H1 H 13.559 7.412 -0.056 1.00 . A A . 1 PHE H1 1 1
14 1454 1 1 1 PHE H2 H 13.310 8.880 -0.874 1.00 . A A . 1 PHE H2 1 1
14 1455 1 1 1 PHE H3 H 13.414 7.425 -1.745 1.00 . A A . 1 PHE H3 1 1
14 1456 1 1 1 PHE HA H 11.115 8.272 -1.497 1.00 . A A . 1 PHE HA 1 1
14 1457 1 1 1 PHE HB2 H 10.262 6.123 -1.333 1.00 . A A . 1 PHE HB2 1 1
14 1458 1 1 1 PHE HB3 H 11.963 5.758 -1.620 1.00 . A A . 1 PHE HB3 1 1
14 1459 1 1 1 PHE HD1 H 13.218 4.538 -0.035 1.00 . A A . 1 PHE HD1 1 1
14 1460 1 1 1 PHE HD2 H 9.461 6.282 1.105 1.00 . A A . 1 PHE HD2 1 1
14 1461 1 1 1 PHE HE1 H 13.329 3.356 2.143 1.00 . A A . 1 PHE HE1 1 1
14 1462 1 1 1 PHE HE2 H 9.572 5.100 3.282 1.00 . A A . 1 PHE HE2 1 1
14 1463 1 1 1 PHE HZ H 11.507 3.637 3.801 1.00 . A A . 1 PHE HZ 1 1
14 1464 1 1 1 PHE N N 13.085 7.864 -0.862 1.00 . A A . 1 PHE N 1 1
14 1465 1 1 1 PHE O O 11.791 7.845 1.651 1.00 . A A . 1 PHE O 1 1
14 1466 1 1 2 SER C C 8.123 8.902 2.171 1.00 . A A . 2 SER C 1 1
14 1467 1 1 2 SER CA C 9.539 9.417 1.937 1.00 . A A . 2 SER CA 1 1
14 1468 1 1 2 SER CB C 9.532 10.945 1.922 1.00 . A A . 2 SER CB 1 1
14 1469 1 1 2 SER H H 9.602 9.124 -0.161 1.00 . A A . 2 SER H 1 1
14 1470 1 1 2 SER HA H 10.172 9.078 2.742 1.00 . A A . 2 SER HA 1 1
14 1471 1 1 2 SER HB2 H 8.606 11.308 2.335 1.00 . A A . 2 SER HB2 1 1
14 1472 1 1 2 SER HB3 H 10.358 11.313 2.517 1.00 . A A . 2 SER HB3 1 1
14 1473 1 1 2 SER HG H 9.360 12.315 0.550 1.00 . A A . 2 SER HG 1 1
14 1474 1 1 2 SER N N 10.064 8.908 0.675 1.00 . A A . 2 SER N 1 1
14 1475 1 1 2 SER O O 7.145 9.592 1.880 1.00 . A A . 2 SER O 1 1
14 1476 1 1 2 SER OG O 9.657 11.402 0.582 1.00 . A A . 2 SER OG 1 1
14 1477 1 1 3 DAL C C 6.629 5.702 2.338 1.00 . A A . 3 DAL C 1 1
14 1478 1 1 3 DAL CA C 6.718 7.090 2.964 1.00 . A A . 3 DAL CA 1 1
14 1479 1 1 3 DAL CB C 6.489 6.989 4.473 1.00 . A A . 3 DAL CB 1 1
14 1480 1 1 3 DAL H H 8.834 7.183 2.906 1.00 . A A . 3 DAL H 1 1
14 1481 1 1 3 DAL HA H 5.951 7.717 2.536 1.00 . A A . 3 DAL HA 1 1
14 1482 1 1 3 DAL HB1 H 6.716 7.938 4.933 1.00 . A A . 3 DAL HB1 1 1
14 1483 1 1 3 DAL HB2 H 7.132 6.225 4.885 1.00 . A A . 3 DAL HB2 1 1
14 1484 1 1 3 DAL N N 8.021 7.687 2.697 1.00 . A A . 3 DAL N 1 1
14 1485 1 1 3 DAL O O 7.554 5.261 1.656 1.00 . A A . 3 DAL O 1 1
14 1486 1 1 4 LEU C C 3.837 3.362 1.873 1.00 . A A . 4 LEU C 1 1
14 1487 1 1 4 LEU CA C 5.317 3.683 2.018 1.00 . A A . 4 LEU CA 1 1
14 1488 1 1 4 LEU CB C 5.998 2.638 2.909 1.00 . A A . 4 LEU CB 1 1
14 1489 1 1 4 LEU CD1 C 8.073 1.289 3.247 1.00 . A A . 4 LEU CD1 1 1
14 1490 1 1 4 LEU CD2 C 7.178 1.645 0.940 1.00 . A A . 4 LEU CD2 1 1
14 1491 1 1 4 LEU CG C 7.365 2.280 2.322 1.00 . A A . 4 LEU CG 1 1
14 1492 1 1 4 LEU H H 4.805 5.425 3.118 1.00 . A A . 4 LEU H 1 1
14 1493 1 1 4 LEU HA H 5.763 3.641 1.042 1.00 . A A . 4 LEU HA 1 1
14 1494 1 1 4 LEU HB2 H 6.130 3.040 3.903 1.00 . A A . 4 LEU HB2 1 1
14 1495 1 1 4 LEU HB3 H 5.390 1.748 2.956 1.00 . A A . 4 LEU HB3 1 1
14 1496 1 1 4 LEU HD11 H 7.764 1.465 4.267 1.00 . A A . 4 LEU HD11 1 1
14 1497 1 1 4 LEU HD12 H 9.142 1.422 3.167 1.00 . A A . 4 LEU HD12 1 1
14 1498 1 1 4 LEU HD13 H 7.813 0.281 2.960 1.00 . A A . 4 LEU HD13 1 1
14 1499 1 1 4 LEU HD21 H 7.705 0.703 0.903 1.00 . A A . 4 LEU HD21 1 1
14 1500 1 1 4 LEU HD22 H 7.572 2.307 0.184 1.00 . A A . 4 LEU HD22 1 1
14 1501 1 1 4 LEU HD23 H 6.127 1.477 0.759 1.00 . A A . 4 LEU HD23 1 1
14 1502 1 1 4 LEU HG H 7.963 3.175 2.230 1.00 . A A . 4 LEU HG 1 1
14 1503 1 1 4 LEU N N 5.511 5.021 2.570 1.00 . A A . 4 LEU N 1 1
14 1504 1 1 4 LEU O O 3.331 3.247 0.757 1.00 . A A . 4 LEU O 1 1
14 1505 1 1 5 ALA C C 0.971 3.578 4.065 1.00 . A A . 5 ALA C 1 1
14 1506 1 1 5 ALA CA C 1.731 2.885 2.939 1.00 . A A . 5 ALA CA 1 1
14 1507 1 1 5 ALA CB C 1.560 1.375 3.037 1.00 . A A . 5 ALA CB 1 1
14 1508 1 1 5 ALA H H 3.586 3.299 3.860 1.00 . A A . 5 ALA H 1 1
14 1509 1 1 5 ALA HA H 1.332 3.217 1.992 1.00 . A A . 5 ALA HA 1 1
14 1510 1 1 5 ALA HB1 H 0.561 1.104 2.737 1.00 . A A . 5 ALA HB1 1 1
14 1511 1 1 5 ALA HB2 H 1.734 1.060 4.055 1.00 . A A . 5 ALA HB2 1 1
14 1512 1 1 5 ALA HB3 H 2.277 0.892 2.385 1.00 . A A . 5 ALA HB3 1 1
14 1513 1 1 5 ALA N N 3.144 3.205 2.991 1.00 . A A . 5 ALA N 1 1
14 1514 1 1 5 ALA O O -0.232 3.819 3.957 1.00 . A A . 5 ALA O 1 1
14 1515 1 1 6 LEU C C 2.011 5.571 6.909 1.00 . A A . 6 LEU C 1 1
14 1516 1 1 6 LEU CA C 1.053 4.558 6.282 1.00 . A A . 6 LEU CA 1 1
14 1517 1 1 6 LEU CB C 0.637 3.514 7.326 1.00 . A A . 6 LEU CB 1 1
14 1518 1 1 6 LEU CD1 C -1.291 2.605 8.626 1.00 . A A . 6 LEU CD1 1 1
14 1519 1 1 6 LEU CD2 C -0.887 5.070 8.554 1.00 . A A . 6 LEU CD2 1 1
14 1520 1 1 6 LEU CG C -0.809 3.766 7.754 1.00 . A A . 6 LEU CG 1 1
14 1521 1 1 6 LEU H H 2.633 3.678 5.177 1.00 . A A . 6 LEU H 1 1
14 1522 1 1 6 LEU HA H 0.171 5.077 5.939 1.00 . A A . 6 LEU HA 1 1
14 1523 1 1 6 LEU HB2 H 0.718 2.527 6.897 1.00 . A A . 6 LEU HB2 1 1
14 1524 1 1 6 LEU HB3 H 1.282 3.584 8.188 1.00 . A A . 6 LEU HB3 1 1
14 1525 1 1 6 LEU HD11 H -0.450 2.174 9.149 1.00 . A A . 6 LEU HD11 1 1
14 1526 1 1 6 LEU HD12 H -1.751 1.854 8.002 1.00 . A A . 6 LEU HD12 1 1
14 1527 1 1 6 LEU HD13 H -2.014 2.968 9.342 1.00 . A A . 6 LEU HD13 1 1
14 1528 1 1 6 LEU HD21 H 0.052 5.598 8.473 1.00 . A A . 6 LEU HD21 1 1
14 1529 1 1 6 LEU HD22 H -1.084 4.846 9.592 1.00 . A A . 6 LEU HD22 1 1
14 1530 1 1 6 LEU HD23 H -1.682 5.686 8.162 1.00 . A A . 6 LEU HD23 1 1
14 1531 1 1 6 LEU HG H -1.436 3.842 6.878 1.00 . A A . 6 LEU HG 1 1
14 1532 1 1 6 LEU N N 1.678 3.895 5.144 1.00 . A A . 6 LEU N 1 1
14 1533 1 1 6 LEU O O 2.510 5.371 8.017 1.00 . A A . 6 LEU O 1 1
14 1534 1 1 7 CYS C C 2.896 9.023 5.988 1.00 . A A . 7 CYS C 1 1
14 1535 1 1 7 CYS CA C 3.168 7.695 6.688 1.00 . A A . 7 CYS CA 1 1
14 1536 1 1 7 CYS CB C 4.618 7.279 6.443 1.00 . A A . 7 CYS CB 1 1
14 1537 1 1 7 CYS H H 1.847 6.771 5.314 1.00 . A A . 7 CYS H 1 1
14 1538 1 1 7 CYS HA H 3.013 7.817 7.750 1.00 . A A . 7 CYS HA 1 1
14 1539 1 1 7 CYS HB2 H 5.257 8.146 6.519 1.00 . A A . 7 CYS HB2 1 1
14 1540 1 1 7 CYS HB3 H 4.913 6.548 7.181 1.00 . A A . 7 CYS HB3 1 1
14 1541 1 1 7 CYS N N 2.267 6.661 6.192 1.00 . A A . 7 CYS N 1 1
14 1542 1 1 7 CYS O O 2.430 9.979 6.609 1.00 . A A . 7 CYS O 1 1
14 1543 1 1 7 CYS SG S 4.759 6.558 4.788 1.00 . A A . 7 CYS SG 1 1
14 1544 1 1 8 ALA C C 1.505 10.695 3.954 1.00 . A A . 8 ALA C 1 1
14 1545 1 1 8 ALA CA C 2.974 10.286 3.916 1.00 . A A . 8 ALA CA 1 1
14 1546 1 1 8 ALA CB C 3.404 10.058 2.465 1.00 . A A . 8 ALA CB 1 1
14 1547 1 1 8 ALA H H 3.559 8.277 4.253 1.00 . A A . 8 ALA H 1 1
14 1548 1 1 8 ALA HA H 3.572 11.082 4.334 1.00 . A A . 8 ALA HA 1 1
14 1549 1 1 8 ALA HB1 H 4.421 9.694 2.445 1.00 . A A . 8 ALA HB1 1 1
14 1550 1 1 8 ALA HB2 H 3.344 10.988 1.921 1.00 . A A . 8 ALA HB2 1 1
14 1551 1 1 8 ALA HB3 H 2.753 9.329 2.007 1.00 . A A . 8 ALA HB3 1 1
14 1552 1 1 8 ALA N N 3.190 9.072 4.693 1.00 . A A . 8 ALA N 1 1
14 1553 1 1 8 ALA O O 1.132 11.562 3.180 1.00 . A A . 8 ALA O 1 1
14 1554 1 1 8 ALA OXT O 0.777 10.136 4.757 1.00 . A A . 8 ALA OXT 1 1
15 1555 1 1 1 PHE C C 11.770 5.991 4.585 1.00 . A A . 1 PHE C 1 1
15 1556 1 1 1 PHE CA C 12.288 4.583 4.856 1.00 . A A . 1 PHE CA 1 1
15 1557 1 1 1 PHE CB C 12.390 4.343 6.364 1.00 . A A . 1 PHE CB 1 1
15 1558 1 1 1 PHE CD1 C 10.030 4.821 7.111 1.00 . A A . 1 PHE CD1 1 1
15 1559 1 1 1 PHE CD2 C 10.831 2.533 7.168 1.00 . A A . 1 PHE CD2 1 1
15 1560 1 1 1 PHE CE1 C 8.789 4.399 7.602 1.00 . A A . 1 PHE CE1 1 1
15 1561 1 1 1 PHE CE2 C 9.590 2.111 7.659 1.00 . A A . 1 PHE CE2 1 1
15 1562 1 1 1 PHE CG C 11.051 3.888 6.893 1.00 . A A . 1 PHE CG 1 1
15 1563 1 1 1 PHE CZ C 8.569 3.044 7.877 1.00 . A A . 1 PHE CZ 1 1
15 1564 1 1 1 PHE H1 H 14.366 4.718 4.920 1.00 . A A . 1 PHE H1 1 1
15 1565 1 1 1 PHE H2 H 13.699 5.014 3.385 1.00 . A A . 1 PHE H2 1 1
15 1566 1 1 1 PHE H3 H 13.786 3.426 3.986 1.00 . A A . 1 PHE H3 1 1
15 1567 1 1 1 PHE HA H 11.610 3.862 4.424 1.00 . A A . 1 PHE HA 1 1
15 1568 1 1 1 PHE HB2 H 13.132 3.582 6.558 1.00 . A A . 1 PHE HB2 1 1
15 1569 1 1 1 PHE HB3 H 12.678 5.260 6.855 1.00 . A A . 1 PHE HB3 1 1
15 1570 1 1 1 PHE HD1 H 10.200 5.866 6.899 1.00 . A A . 1 PHE HD1 1 1
15 1571 1 1 1 PHE HD2 H 11.619 1.813 7.001 1.00 . A A . 1 PHE HD2 1 1
15 1572 1 1 1 PHE HE1 H 8.001 5.119 7.770 1.00 . A A . 1 PHE HE1 1 1
15 1573 1 1 1 PHE HE2 H 9.420 1.065 7.871 1.00 . A A . 1 PHE HE2 1 1
15 1574 1 1 1 PHE HZ H 7.611 2.718 8.256 1.00 . A A . 1 PHE HZ 1 1
15 1575 1 1 1 PHE N N 13.636 4.423 4.240 1.00 . A A . 1 PHE N 1 1
15 1576 1 1 1 PHE O O 12.152 6.945 5.263 1.00 . A A . 1 PHE O 1 1
15 1577 1 1 2 SER C C 8.930 7.242 2.658 1.00 . A A . 2 SER C 1 1
15 1578 1 1 2 SER CA C 10.331 7.410 3.237 1.00 . A A . 2 SER CA 1 1
15 1579 1 1 2 SER CB C 11.226 8.110 2.216 1.00 . A A . 2 SER CB 1 1
15 1580 1 1 2 SER H H 10.629 5.318 3.084 1.00 . A A . 2 SER H 1 1
15 1581 1 1 2 SER HA H 10.272 8.021 4.126 1.00 . A A . 2 SER HA 1 1
15 1582 1 1 2 SER HB2 H 10.711 8.963 1.807 1.00 . A A . 2 SER HB2 1 1
15 1583 1 1 2 SER HB3 H 12.135 8.441 2.702 1.00 . A A . 2 SER HB3 1 1
15 1584 1 1 2 SER HG H 12.178 7.627 0.589 1.00 . A A . 2 SER HG 1 1
15 1585 1 1 2 SER N N 10.897 6.114 3.590 1.00 . A A . 2 SER N 1 1
15 1586 1 1 2 SER O O 8.766 7.027 1.457 1.00 . A A . 2 SER O 1 1
15 1587 1 1 2 SER OG O 11.538 7.205 1.166 1.00 . A A . 2 SER OG 1 1
15 1588 1 1 3 DAL C C 6.363 5.878 2.316 1.00 . A A . 3 DAL C 1 1
15 1589 1 1 3 DAL CA C 6.541 7.194 3.078 1.00 . A A . 3 DAL CA 1 1
15 1590 1 1 3 DAL CB C 5.608 7.250 4.290 1.00 . A A . 3 DAL CB 1 1
15 1591 1 1 3 DAL H H 8.111 7.511 4.464 1.00 . A A . 3 DAL H 1 1
15 1592 1 1 3 DAL HA H 6.299 8.013 2.416 1.00 . A A . 3 DAL HA 1 1
15 1593 1 1 3 DAL HB1 H 5.998 7.957 5.007 1.00 . A A . 3 DAL HB1 1 1
15 1594 1 1 3 DAL HB2 H 5.544 6.277 4.749 1.00 . A A . 3 DAL HB2 1 1
15 1595 1 1 3 DAL N N 7.922 7.339 3.518 1.00 . A A . 3 DAL N 1 1
15 1596 1 1 3 DAL O O 6.956 5.690 1.254 1.00 . A A . 3 DAL O 1 1
15 1597 1 1 4 LEU C C 3.844 3.436 1.961 1.00 . A A . 4 LEU C 1 1
15 1598 1 1 4 LEU CA C 5.329 3.681 2.197 1.00 . A A . 4 LEU CA 1 1
15 1599 1 1 4 LEU CB C 5.927 2.546 3.037 1.00 . A A . 4 LEU CB 1 1
15 1600 1 1 4 LEU CD1 C 8.296 3.317 2.833 1.00 . A A . 4 LEU CD1 1 1
15 1601 1 1 4 LEU CD2 C 7.798 0.892 3.151 1.00 . A A . 4 LEU CD2 1 1
15 1602 1 1 4 LEU CG C 7.316 2.191 2.500 1.00 . A A . 4 LEU CG 1 1
15 1603 1 1 4 LEU H H 5.101 5.161 3.700 1.00 . A A . 4 LEU H 1 1
15 1604 1 1 4 LEU HA H 5.817 3.690 1.240 1.00 . A A . 4 LEU HA 1 1
15 1605 1 1 4 LEU HB2 H 6.012 2.862 4.066 1.00 . A A . 4 LEU HB2 1 1
15 1606 1 1 4 LEU HB3 H 5.291 1.675 2.977 1.00 . A A . 4 LEU HB3 1 1
15 1607 1 1 4 LEU HD11 H 8.056 3.729 3.802 1.00 . A A . 4 LEU HD11 1 1
15 1608 1 1 4 LEU HD12 H 8.223 4.091 2.085 1.00 . A A . 4 LEU HD12 1 1
15 1609 1 1 4 LEU HD13 H 9.302 2.925 2.848 1.00 . A A . 4 LEU HD13 1 1
15 1610 1 1 4 LEU HD21 H 8.374 0.324 2.436 1.00 . A A . 4 LEU HD21 1 1
15 1611 1 1 4 LEU HD22 H 6.946 0.311 3.470 1.00 . A A . 4 LEU HD22 1 1
15 1612 1 1 4 LEU HD23 H 8.415 1.126 4.006 1.00 . A A . 4 LEU HD23 1 1
15 1613 1 1 4 LEU HG H 7.267 2.062 1.428 1.00 . A A . 4 LEU HG 1 1
15 1614 1 1 4 LEU N N 5.552 4.968 2.854 1.00 . A A . 4 LEU N 1 1
15 1615 1 1 4 LEU O O 3.384 3.442 0.820 1.00 . A A . 4 LEU O 1 1
15 1616 1 1 5 ALA C C 0.924 3.612 4.057 1.00 . A A . 5 ALA C 1 1
15 1617 1 1 5 ALA CA C 1.676 2.965 2.902 1.00 . A A . 5 ALA CA 1 1
15 1618 1 1 5 ALA CB C 1.436 1.460 2.881 1.00 . A A . 5 ALA CB 1 1
15 1619 1 1 5 ALA H H 3.503 3.215 3.922 1.00 . A A . 5 ALA H 1 1
15 1620 1 1 5 ALA HA H 1.326 3.389 1.973 1.00 . A A . 5 ALA HA 1 1
15 1621 1 1 5 ALA HB1 H 2.115 1.003 2.174 1.00 . A A . 5 ALA HB1 1 1
15 1622 1 1 5 ALA HB2 H 0.419 1.261 2.585 1.00 . A A . 5 ALA HB2 1 1
15 1623 1 1 5 ALA HB3 H 1.616 1.055 3.865 1.00 . A A . 5 ALA HB3 1 1
15 1624 1 1 5 ALA N N 3.097 3.215 3.032 1.00 . A A . 5 ALA N 1 1
15 1625 1 1 5 ALA O O -0.281 3.851 3.975 1.00 . A A . 5 ALA O 1 1
15 1626 1 1 6 LEU C C 2.011 5.582 6.867 1.00 . A A . 6 LEU C 1 1
15 1627 1 1 6 LEU CA C 1.060 4.534 6.300 1.00 . A A . 6 LEU CA 1 1
15 1628 1 1 6 LEU CB C 0.751 3.483 7.370 1.00 . A A . 6 LEU CB 1 1
15 1629 1 1 6 LEU CD1 C -0.333 1.270 7.778 1.00 . A A . 6 LEU CD1 1 1
15 1630 1 1 6 LEU CD2 C -1.601 3.084 6.624 1.00 . A A . 6 LEU CD2 1 1
15 1631 1 1 6 LEU CG C -0.222 2.445 6.805 1.00 . A A . 6 LEU CG 1 1
15 1632 1 1 6 LEU H H 2.610 3.693 5.130 1.00 . A A . 6 LEU H 1 1
15 1633 1 1 6 LEU HA H 0.144 5.017 6.007 1.00 . A A . 6 LEU HA 1 1
15 1634 1 1 6 LEU HB2 H 1.666 2.994 7.669 1.00 . A A . 6 LEU HB2 1 1
15 1635 1 1 6 LEU HB3 H 0.303 3.963 8.227 1.00 . A A . 6 LEU HB3 1 1
15 1636 1 1 6 LEU HD11 H -0.927 0.487 7.330 1.00 . A A . 6 LEU HD11 1 1
15 1637 1 1 6 LEU HD12 H -0.804 1.602 8.691 1.00 . A A . 6 LEU HD12 1 1
15 1638 1 1 6 LEU HD13 H 0.654 0.891 7.999 1.00 . A A . 6 LEU HD13 1 1
15 1639 1 1 6 LEU HD21 H -2.344 2.308 6.513 1.00 . A A . 6 LEU HD21 1 1
15 1640 1 1 6 LEU HD22 H -1.597 3.706 5.742 1.00 . A A . 6 LEU HD22 1 1
15 1641 1 1 6 LEU HD23 H -1.835 3.686 7.489 1.00 . A A . 6 LEU HD23 1 1
15 1642 1 1 6 LEU HG H 0.142 2.091 5.852 1.00 . A A . 6 LEU HG 1 1
15 1643 1 1 6 LEU N N 1.653 3.901 5.130 1.00 . A A . 6 LEU N 1 1
15 1644 1 1 6 LEU O O 2.326 5.575 8.057 1.00 . A A . 6 LEU O 1 1
15 1645 1 1 7 CYS C C 2.907 8.190 7.706 1.00 . A A . 7 CYS C 1 1
15 1646 1 1 7 CYS CA C 3.381 7.537 6.413 1.00 . A A . 7 CYS CA 1 1
15 1647 1 1 7 CYS CB C 3.485 8.590 5.310 1.00 . A A . 7 CYS CB 1 1
15 1648 1 1 7 CYS H H 2.176 6.434 5.066 1.00 . A A . 7 CYS H 1 1
15 1649 1 1 7 CYS HA H 4.358 7.107 6.576 1.00 . A A . 7 CYS HA 1 1
15 1650 1 1 7 CYS HB2 H 2.529 9.077 5.184 1.00 . A A . 7 CYS HB2 1 1
15 1651 1 1 7 CYS HB3 H 4.231 9.323 5.579 1.00 . A A . 7 CYS HB3 1 1
15 1652 1 1 7 CYS N N 2.464 6.482 6.002 1.00 . A A . 7 CYS N 1 1
15 1653 1 1 7 CYS O O 3.654 8.923 8.353 1.00 . A A . 7 CYS O 1 1
15 1654 1 1 7 CYS SG S 3.961 7.784 3.761 1.00 . A A . 7 CYS SG 1 1
15 1655 1 1 8 ALA C C 1.594 7.717 10.520 1.00 . A A . 8 ALA C 1 1
15 1656 1 1 8 ALA CA C 1.098 8.482 9.297 1.00 . A A . 8 ALA CA 1 1
15 1657 1 1 8 ALA CB C -0.430 8.426 9.240 1.00 . A A . 8 ALA CB 1 1
15 1658 1 1 8 ALA H H 1.112 7.324 7.523 1.00 . A A . 8 ALA H 1 1
15 1659 1 1 8 ALA HA H 1.406 9.513 9.379 1.00 . A A . 8 ALA HA 1 1
15 1660 1 1 8 ALA HB1 H -0.823 8.270 10.234 1.00 . A A . 8 ALA HB1 1 1
15 1661 1 1 8 ALA HB2 H -0.737 7.612 8.600 1.00 . A A . 8 ALA HB2 1 1
15 1662 1 1 8 ALA HB3 H -0.810 9.357 8.844 1.00 . A A . 8 ALA HB3 1 1
15 1663 1 1 8 ALA N N 1.661 7.916 8.078 1.00 . A A . 8 ALA N 1 1
15 1664 1 1 8 ALA O O 1.381 8.198 11.621 1.00 . A A . 8 ALA O 1 1
15 1665 1 1 8 ALA OXT O 2.181 6.663 10.338 1.00 . A A . 8 ALA OXT 1 1
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