NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
638678 |
6dny   |
30476 | cing | 4-filtered-FRED | STAR | entry | full | 25 |
data_FRED_restraints_with_modified_coordinates_PDB_code_6dny
# This FRED archive file contains, for PDB entry <6dny>:
#
# - 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_6dny
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 6dny
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 456.53
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 $Cyclic_tetrapeptide_PYPV A . 1 1
stop_
save_
save_Cyclic_tetrapeptide_PYPV
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name "Cyclic tetrapeptide PYPV"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code PYPV
_Entity.Number_of_monomers 4
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 PRO . 1 1
2 TYR . 1 1
3 PRO . 1 1
4 VAL . 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
PRO 1 1 1 1
TYR 2 2 1 1
PRO 3 3 1 1
VAL 4 4 1 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 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
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 PRO HA . 1 PRO HA 1 1
1 1 2 1 1 2 TYR H . 2 TYR H 1 1
2 1 1 1 1 1 PRO HA . 1 PRO HA 1 1
2 1 2 1 1 4 VAL HA . 4 VAL HA 1 1
3 1 1 1 1 1 PRO HA . 1 PRO HA 1 1
3 1 2 1 1 4 VAL QG . 4 VAL QQG 1 1
4 1 1 1 1 1 PRO HD2 . 1 PRO HD2 1 1
4 1 2 1 1 2 TYR H . 2 TYR H 1 1
5 1 1 1 1 1 PRO HD2 . 1 PRO HD2 1 1
5 1 2 1 1 4 VAL H . 4 VAL H 1 1
6 1 1 1 1 1 PRO HD2 . 1 PRO HD2 1 1
6 1 2 1 1 4 VAL QG . 4 VAL QQG 1 1
7 1 1 1 1 1 PRO HG2 . 1 PRO HG2 1 1
7 1 2 1 1 2 TYR H . 2 TYR H 1 1
8 1 1 1 1 1 PRO N . 1 PRO N 1 1
8 1 2 1 1 4 VAL C . 4 VAL C 1 1
9 1 1 1 1 2 TYR H . 2 TYR H 1 1
9 1 2 1 1 3 PRO HA . 3 PRO HA 1 1
10 1 1 1 1 2 TYR H . 2 TYR H 1 1
10 1 2 1 1 3 PRO QG . 3 PRO QG 1 1
11 1 1 1 1 2 TYR H . 2 TYR H 1 1
11 1 2 1 1 4 VAL H . 4 VAL H 1 1
12 1 1 1 1 2 TYR H . 2 TYR H 1 1
12 1 2 1 1 4 VAL HA . 4 VAL HA 1 1
13 1 1 1 1 2 TYR HA . 2 TYR HA 1 1
13 1 2 1 1 3 PRO HA . 3 PRO HA 1 1
14 1 1 1 1 2 TYR HA . 2 TYR HA 1 1
14 1 2 1 1 3 PRO QB . 3 PRO QB 1 1
15 1 1 1 1 2 TYR QD . 2 TYR QD 1 1
15 1 2 1 1 3 PRO QD . 3 PRO QD 1 1
16 1 1 1 1 3 PRO QB . 3 PRO QB 1 1
16 1 2 1 1 4 VAL H . 4 VAL H 1 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 3.28 1 1
2 1 . . . . . . . 2.4 1 1
3 1 . . . . . . . 3.71 1 1
4 1 . . . . . . . 3.42 1 1
5 1 . . . . . . . 5.5 1 1
6 1 . . . . . . . 5.19 1 1
7 1 . . . . . . . 4.0 1 1
8 1 . . . . . . . 1.3 1 1
9 1 . . . . . . . 3.89 1 1
10 1 . . . . . . . 5.35 1 1
11 1 . . . . . . . 2.7 1 1
12 1 . . . . . . . 4.09 1 1
13 1 . . . . . . . 2.4 1 1
14 1 . . . . . . . 4.3 1 1
15 1 . . . . . . . 5.35 1 1
16 1 . . . . . . . 3.9 1 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID 1
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID .
_Torsion_angle_constraint_list.Block_ID .
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 PHI 1 1 3 PRO C 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C -174.99998 75.0 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 1 1
2 PHI 1 1 3 PRO C 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C -255.0 -25.0 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 1 1
3 PHI 1 1 3 PRO C 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL C -135.0 75.0 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 1 1
4 CHI1 1 1 2 TYR N 1 1 2 TYR CA 1 1 2 TYR CB 1 1 2 TYR CG -89.99999 210.0 . 2 TYR . . 2 TYR . . 2 TYR . . 2 TYR . 1 1
5 CHI1 1 1 2 TYR N 1 1 2 TYR CA 1 1 2 TYR CB 1 1 2 TYR CG -330.0 -30.0 . 2 TYR . . 2 TYR . . 2 TYR . . 2 TYR . 1 1
6 CHI1 1 1 2 TYR N 1 1 2 TYR CA 1 1 2 TYR CB 1 1 2 TYR CG -210.0 89.99999 . 2 TYR . . 2 TYR . . 2 TYR . . 2 TYR . 1 1
7 CHI1 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL CB 1 1 4 VAL CG1 -89.99999 210.0 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 1 1
8 CHI1 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL CB 1 1 4 VAL CG1 -330.0 -30.0 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 1 1
9 CHI1 1 1 4 VAL N 1 1 4 VAL CA 1 1 4 VAL CB 1 1 4 VAL CG1 -210.0 89.99999 . 4 VAL . . 4 VAL . . 4 VAL . . 4 VAL . 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 PRO C C 2.035 -1.325 -1.984 1.00 . A A . 1 PRO C 1 1
1 2 1 1 1 PRO CA C 2.133 -0.001 -1.234 1.00 . A A . 1 PRO CA 1 1
1 3 1 1 1 PRO CB C 3.563 0.229 -0.738 1.00 . A A . 1 PRO CB 1 1
1 4 1 1 1 PRO CD C 2.188 0.000 1.204 1.00 . A A . 1 PRO CD 1 1
1 5 1 1 1 PRO CG C 3.564 -0.277 0.663 1.00 . A A . 1 PRO CG 1 1
1 6 1 1 1 PRO HA H 1.844 0.806 -1.891 1.00 . A A . 1 PRO HA 1 1
1 7 1 1 1 PRO HB2 H 4.255 -0.324 -1.359 1.00 . A A . 1 PRO HB2 1 1
1 8 1 1 1 PRO HB3 H 3.797 1.282 -0.777 1.00 . A A . 1 PRO HB3 1 1
1 9 1 1 1 PRO HD2 H 1.887 -0.780 1.888 1.00 . A A . 1 PRO HD2 1 1
1 10 1 1 1 PRO HD3 H 2.162 0.963 1.693 1.00 . A A . 1 PRO HD3 1 1
1 11 1 1 1 PRO HG2 H 3.762 -1.338 0.671 1.00 . A A . 1 PRO HG2 1 1
1 12 1 1 1 PRO HG3 H 4.307 0.250 1.243 1.00 . A A . 1 PRO HG3 1 1
1 13 1 1 1 PRO N N 1.341 0.000 0.000 1.00 . A A . 1 PRO N 1 1
1 14 1 1 1 PRO O O 2.687 -1.517 -3.011 1.00 . A A . 1 PRO O 1 1
1 15 1 1 2 TYR C C -0.349 -4.101 -1.782 1.00 . A A . 2 TYR C 1 1
1 16 1 1 2 TYR CA C 1.037 -3.542 -2.086 1.00 . A A . 2 TYR CA 1 1
1 17 1 1 2 TYR CB C 2.111 -4.515 -1.596 1.00 . A A . 2 TYR CB 1 1
1 18 1 1 2 TYR CD1 C 2.342 -5.723 -3.801 1.00 . A A . 2 TYR CD1 1 1
1 19 1 1 2 TYR CD2 C 2.149 -7.030 -1.817 1.00 . A A . 2 TYR CD2 1 1
1 20 1 1 2 TYR CE1 C 2.426 -6.876 -4.558 1.00 . A A . 2 TYR CE1 1 1
1 21 1 1 2 TYR CE2 C 2.233 -8.188 -2.566 1.00 . A A . 2 TYR CE2 1 1
1 22 1 1 2 TYR CG C 2.203 -5.779 -2.420 1.00 . A A . 2 TYR CG 1 1
1 23 1 1 2 TYR CZ C 2.371 -8.106 -3.936 1.00 . A A . 2 TYR CZ 1 1
1 24 1 1 2 TYR H H 0.726 -2.023 -0.645 1.00 . A A . 2 TYR H 1 1
1 25 1 1 2 TYR HA H 1.137 -3.418 -3.154 1.00 . A A . 2 TYR HA 1 1
1 26 1 1 2 TYR HB2 H 3.072 -4.027 -1.631 1.00 . A A . 2 TYR HB2 1 1
1 27 1 1 2 TYR HB3 H 1.893 -4.798 -0.577 1.00 . A A . 2 TYR HB3 1 1
1 28 1 1 2 TYR HD1 H 2.385 -4.758 -4.286 1.00 . A A . 2 TYR HD1 1 1
1 29 1 1 2 TYR HD2 H 2.040 -7.091 -0.744 1.00 . A A . 2 TYR HD2 1 1
1 30 1 1 2 TYR HE1 H 2.534 -6.812 -5.631 1.00 . A A . 2 TYR HE1 1 1
1 31 1 1 2 TYR HE2 H 2.190 -9.151 -2.079 1.00 . A A . 2 TYR HE2 1 1
1 32 1 1 2 TYR HH H 3.249 -9.231 -5.224 1.00 . A A . 2 TYR HH 1 1
1 33 1 1 2 TYR N N 1.218 -2.235 -1.465 1.00 . A A . 2 TYR N 1 1
1 34 1 1 2 TYR O O -0.534 -4.912 -0.874 1.00 . A A . 2 TYR O 1 1
1 35 1 1 2 TYR OH O 2.454 -9.257 -4.686 1.00 . A A . 2 TYR OH 1 1
1 36 1 1 3 PRO C C -0.799 -1.303 -3.122 1.00 . A A . 3 PRO C 1 1
1 37 1 1 3 PRO CA C -1.140 -2.694 -3.644 1.00 . A A . 3 PRO CA 1 1
1 38 1 1 3 PRO CB C -2.488 -2.679 -4.369 1.00 . A A . 3 PRO CB 1 1
1 39 1 1 3 PRO CD C -2.758 -4.068 -2.442 1.00 . A A . 3 PRO CD 1 1
1 40 1 1 3 PRO CG C -3.478 -3.097 -3.337 1.00 . A A . 3 PRO CG 1 1
1 41 1 1 3 PRO HA H -0.367 -3.022 -4.324 1.00 . A A . 3 PRO HA 1 1
1 42 1 1 3 PRO HB2 H -2.692 -1.682 -4.733 1.00 . A A . 3 PRO HB2 1 1
1 43 1 1 3 PRO HB3 H -2.463 -3.372 -5.196 1.00 . A A . 3 PRO HB3 1 1
1 44 1 1 3 PRO HD2 H -3.104 -3.970 -1.424 1.00 . A A . 3 PRO HD2 1 1
1 45 1 1 3 PRO HD3 H -2.896 -5.080 -2.794 1.00 . A A . 3 PRO HD3 1 1
1 46 1 1 3 PRO HG2 H -3.805 -2.238 -2.772 1.00 . A A . 3 PRO HG2 1 1
1 47 1 1 3 PRO HG3 H -4.320 -3.579 -3.812 1.00 . A A . 3 PRO HG3 1 1
1 48 1 1 3 PRO N N -1.348 -3.660 -2.560 1.00 . A A . 3 PRO N 1 1
1 49 1 1 3 PRO O O -0.100 -0.535 -3.784 1.00 . A A . 3 PRO O 1 1
1 50 1 1 4 VAL C C -0.160 0.181 -0.088 1.00 . A A . 4 VAL C 1 1
1 51 1 1 4 VAL CA C -1.045 0.317 -1.322 1.00 . A A . 4 VAL CA 1 1
1 52 1 1 4 VAL CB C -2.359 1.015 -0.923 1.00 . A A . 4 VAL CB 1 1
1 53 1 1 4 VAL CG1 C -2.081 2.412 -0.390 1.00 . A A . 4 VAL CG1 1 1
1 54 1 1 4 VAL CG2 C -3.314 1.067 -2.106 1.00 . A A . 4 VAL CG2 1 1
1 55 1 1 4 VAL H H -1.849 -1.637 -1.454 1.00 . A A . 4 VAL H 1 1
1 56 1 1 4 VAL HA H -0.540 0.935 -2.049 1.00 . A A . 4 VAL HA 1 1
1 57 1 1 4 VAL HB H -2.825 0.440 -0.137 1.00 . A A . 4 VAL HB 1 1
1 58 1 1 4 VAL HG11 H -1.627 3.010 -1.167 1.00 . A A . 4 VAL HG11 1 1
1 59 1 1 4 VAL HG12 H -3.008 2.870 -0.077 1.00 . A A . 4 VAL HG12 1 1
1 60 1 1 4 VAL HG13 H -1.409 2.348 0.453 1.00 . A A . 4 VAL HG13 1 1
1 61 1 1 4 VAL HG21 H -2.749 1.183 -3.019 1.00 . A A . 4 VAL HG21 1 1
1 62 1 1 4 VAL HG22 H -3.884 0.151 -2.150 1.00 . A A . 4 VAL HG22 1 1
1 63 1 1 4 VAL HG23 H -3.987 1.904 -1.990 1.00 . A A . 4 VAL HG23 1 1
1 64 1 1 4 VAL N N -1.298 -0.983 -1.933 1.00 . A A . 4 VAL N 1 1
1 65 1 1 4 VAL O O -0.654 0.093 1.036 1.00 . A A . 4 VAL O 1 1
2 66 1 1 1 PRO C C 2.000 -1.331 -2.032 1.00 . A A . 1 PRO C 1 1
2 67 1 1 1 PRO CA C 2.107 0.003 -1.301 1.00 . A A . 1 PRO CA 1 1
2 68 1 1 1 PRO CB C 3.547 0.247 -0.844 1.00 . A A . 1 PRO CB 1 1
2 69 1 1 1 PRO CD C 2.222 0.035 1.135 1.00 . A A . 1 PRO CD 1 1
2 70 1 1 1 PRO CG C 3.586 -0.241 0.563 1.00 . A A . 1 PRO CG 1 1
2 71 1 1 1 PRO HA H 1.797 0.800 -1.961 1.00 . A A . 1 PRO HA 1 1
2 72 1 1 1 PRO HB2 H 4.227 -0.309 -1.474 1.00 . A A . 1 PRO HB2 1 1
2 73 1 1 1 PRO HB3 H 3.774 1.301 -0.902 1.00 . A A . 1 PRO HB3 1 1
2 74 1 1 1 PRO HD2 H 1.943 -0.738 1.835 1.00 . A A . 1 PRO HD2 1 1
2 75 1 1 1 PRO HD3 H 2.202 1.004 1.612 1.00 . A A . 1 PRO HD3 1 1
2 76 1 1 1 PRO HG2 H 3.791 -1.300 0.579 1.00 . A A . 1 PRO HG2 1 1
2 77 1 1 1 PRO HG3 H 4.340 0.297 1.118 1.00 . A A . 1 PRO HG3 1 1
2 78 1 1 1 PRO N N 1.346 0.015 -0.048 1.00 . A A . 1 PRO N 1 1
2 79 1 1 1 PRO O O 2.627 -1.532 -3.073 1.00 . A A . 1 PRO O 1 1
2 80 1 1 2 TYR C C -0.362 -4.119 -1.737 1.00 . A A . 2 TYR C 1 1
2 81 1 1 2 TYR CA C 1.013 -3.555 -2.082 1.00 . A A . 2 TYR CA 1 1
2 82 1 1 2 TYR CB C 2.104 -4.515 -1.607 1.00 . A A . 2 TYR CB 1 1
2 83 1 1 2 TYR CD1 C 2.912 -5.633 -3.722 1.00 . A A . 2 TYR CD1 1 1
2 84 1 1 2 TYR CD2 C 1.786 -6.971 -2.103 1.00 . A A . 2 TYR CD2 1 1
2 85 1 1 2 TYR CE1 C 3.065 -6.739 -4.536 1.00 . A A . 2 TYR CE1 1 1
2 86 1 1 2 TYR CE2 C 1.936 -8.082 -2.909 1.00 . A A . 2 TYR CE2 1 1
2 87 1 1 2 TYR CG C 2.271 -5.729 -2.493 1.00 . A A . 2 TYR CG 1 1
2 88 1 1 2 TYR CZ C 2.576 -7.961 -4.125 1.00 . A A . 2 TYR CZ 1 1
2 89 1 1 2 TYR H H 0.728 -2.020 -0.653 1.00 . A A . 2 TYR H 1 1
2 90 1 1 2 TYR HA H 1.086 -3.444 -3.154 1.00 . A A . 2 TYR HA 1 1
2 91 1 1 2 TYR HB2 H 3.048 -3.993 -1.581 1.00 . A A . 2 TYR HB2 1 1
2 92 1 1 2 TYR HB3 H 1.862 -4.861 -0.613 1.00 . A A . 2 TYR HB3 1 1
2 93 1 1 2 TYR HD1 H 3.294 -4.674 -4.042 1.00 . A A . 2 TYR HD1 1 1
2 94 1 1 2 TYR HD2 H 1.284 -7.062 -1.150 1.00 . A A . 2 TYR HD2 1 1
2 95 1 1 2 TYR HE1 H 3.567 -6.645 -5.488 1.00 . A A . 2 TYR HE1 1 1
2 96 1 1 2 TYR HE2 H 1.553 -9.039 -2.588 1.00 . A A . 2 TYR HE2 1 1
2 97 1 1 2 TYR HH H 2.802 -9.852 -4.386 1.00 . A A . 2 TYR HH 1 1
2 98 1 1 2 TYR N N 1.201 -2.239 -1.483 1.00 . A A . 2 TYR N 1 1
2 99 1 1 2 TYR O O -0.520 -4.919 -0.815 1.00 . A A . 2 TYR O 1 1
2 100 1 1 2 TYR OH O 2.727 -9.066 -4.932 1.00 . A A . 2 TYR OH 1 1
2 101 1 1 3 PRO C C -0.862 -1.339 -3.101 1.00 . A A . 3 PRO C 1 1
2 102 1 1 3 PRO CA C -1.207 -2.740 -3.597 1.00 . A A . 3 PRO CA 1 1
2 103 1 1 3 PRO CB C -2.572 -2.741 -4.289 1.00 . A A . 3 PRO CB 1 1
2 104 1 1 3 PRO CD C -2.786 -4.108 -2.339 1.00 . A A . 3 PRO CD 1 1
2 105 1 1 3 PRO CG C -3.534 -3.153 -3.228 1.00 . A A . 3 PRO CG 1 1
2 106 1 1 3 PRO HA H -0.449 -3.071 -4.291 1.00 . A A . 3 PRO HA 1 1
2 107 1 1 3 PRO HB2 H -2.791 -1.750 -4.660 1.00 . A A . 3 PRO HB2 1 1
2 108 1 1 3 PRO HB3 H -2.563 -3.444 -5.108 1.00 . A A . 3 PRO HB3 1 1
2 109 1 1 3 PRO HD2 H -3.108 -3.999 -1.314 1.00 . A A . 3 PRO HD2 1 1
2 110 1 1 3 PRO HD3 H -2.927 -5.124 -2.675 1.00 . A A . 3 PRO HD3 1 1
2 111 1 1 3 PRO HG2 H -3.852 -2.288 -2.666 1.00 . A A . 3 PRO HG2 1 1
2 112 1 1 3 PRO HG3 H -4.384 -3.645 -3.676 1.00 . A A . 3 PRO HG3 1 1
2 113 1 1 3 PRO N N -1.382 -3.693 -2.497 1.00 . A A . 3 PRO N 1 1
2 114 1 1 3 PRO O O -0.183 -0.576 -3.789 1.00 . A A . 3 PRO O 1 1
2 115 1 1 4 VAL C C -0.158 0.186 -0.102 1.00 . A A . 4 VAL C 1 1
2 116 1 1 4 VAL CA C -1.074 0.301 -1.315 1.00 . A A . 4 VAL CA 1 1
2 117 1 1 4 VAL CB C -2.382 0.996 -0.893 1.00 . A A . 4 VAL CB 1 1
2 118 1 1 4 VAL CG1 C -2.089 2.350 -0.265 1.00 . A A . 4 VAL CG1 1 1
2 119 1 1 4 VAL CG2 C -3.315 1.143 -2.086 1.00 . A A . 4 VAL CG2 1 1
2 120 1 1 4 VAL H H -1.869 -1.659 -1.403 1.00 . A A . 4 VAL H 1 1
2 121 1 1 4 VAL HA H -0.590 0.913 -2.063 1.00 . A A . 4 VAL HA 1 1
2 122 1 1 4 VAL HB H -2.871 0.380 -0.154 1.00 . A A . 4 VAL HB 1 1
2 123 1 1 4 VAL HG11 H -1.474 2.214 0.612 1.00 . A A . 4 VAL HG11 1 1
2 124 1 1 4 VAL HG12 H -1.568 2.973 -0.978 1.00 . A A . 4 VAL HG12 1 1
2 125 1 1 4 VAL HG13 H -3.017 2.824 0.017 1.00 . A A . 4 VAL HG13 1 1
2 126 1 1 4 VAL HG21 H -3.387 0.199 -2.604 1.00 . A A . 4 VAL HG21 1 1
2 127 1 1 4 VAL HG22 H -4.296 1.441 -1.742 1.00 . A A . 4 VAL HG22 1 1
2 128 1 1 4 VAL HG23 H -2.927 1.894 -2.757 1.00 . A A . 4 VAL HG23 1 1
2 129 1 1 4 VAL N N -1.334 -1.008 -1.903 1.00 . A A . 4 VAL N 1 1
2 130 1 1 4 VAL O O -0.624 0.111 1.035 1.00 . A A . 4 VAL O 1 1
3 131 1 1 1 PRO C C 1.971 -1.418 -2.050 1.00 . A A . 1 PRO C 1 1
3 132 1 1 1 PRO CA C 2.115 -0.055 -1.383 1.00 . A A . 1 PRO CA 1 1
3 133 1 1 1 PRO CB C 3.568 0.183 -0.961 1.00 . A A . 1 PRO CB 1 1
3 134 1 1 1 PRO CD C 2.274 0.088 1.047 1.00 . A A . 1 PRO CD 1 1
3 135 1 1 1 PRO CG C 3.622 -0.240 0.466 1.00 . A A . 1 PRO CG 1 1
3 136 1 1 1 PRO HA H 1.809 0.717 -2.074 1.00 . A A . 1 PRO HA 1 1
3 137 1 1 1 PRO HB2 H 4.226 -0.414 -1.577 1.00 . A A . 1 PRO HB2 1 1
3 138 1 1 1 PRO HB3 H 3.812 1.228 -1.072 1.00 . A A . 1 PRO HB3 1 1
3 139 1 1 1 PRO HD2 H 1.993 -0.647 1.787 1.00 . A A . 1 PRO HD2 1 1
3 140 1 1 1 PRO HD3 H 2.280 1.078 1.478 1.00 . A A . 1 PRO HD3 1 1
3 141 1 1 1 PRO HG2 H 3.808 -1.302 0.528 1.00 . A A . 1 PRO HG2 1 1
3 142 1 1 1 PRO HG3 H 4.395 0.308 0.982 1.00 . A A . 1 PRO HG3 1 1
3 143 1 1 1 PRO N N 1.377 0.030 -0.120 1.00 . A A . 1 PRO N 1 1
3 144 1 1 1 PRO O O 2.576 -1.679 -3.090 1.00 . A A . 1 PRO O 1 1
3 145 1 1 2 TYR C C -0.436 -4.144 -1.586 1.00 . A A . 2 TYR C 1 1
3 146 1 1 2 TYR CA C 0.942 -3.623 -1.979 1.00 . A A . 2 TYR CA 1 1
3 147 1 1 2 TYR CB C 2.024 -4.581 -1.478 1.00 . A A . 2 TYR CB 1 1
3 148 1 1 2 TYR CD1 C 3.578 -5.964 -2.910 1.00 . A A . 2 TYR CD1 1 1
3 149 1 1 2 TYR CD2 C 1.278 -6.584 -2.824 1.00 . A A . 2 TYR CD2 1 1
3 150 1 1 2 TYR CE1 C 3.833 -7.013 -3.772 1.00 . A A . 2 TYR CE1 1 1
3 151 1 1 2 TYR CE2 C 1.524 -7.635 -3.685 1.00 . A A . 2 TYR CE2 1 1
3 152 1 1 2 TYR CG C 2.299 -5.731 -2.422 1.00 . A A . 2 TYR CG 1 1
3 153 1 1 2 TYR CZ C 2.803 -7.846 -4.157 1.00 . A A . 2 TYR CZ 1 1
3 154 1 1 2 TYR H H 0.711 -2.018 -0.619 1.00 . A A . 2 TYR H 1 1
3 155 1 1 2 TYR HA H 0.999 -3.563 -3.056 1.00 . A A . 2 TYR HA 1 1
3 156 1 1 2 TYR HB2 H 2.945 -4.035 -1.345 1.00 . A A . 2 TYR HB2 1 1
3 157 1 1 2 TYR HB3 H 1.716 -4.996 -0.530 1.00 . A A . 2 TYR HB3 1 1
3 158 1 1 2 TYR HD1 H 4.383 -5.310 -2.606 1.00 . A A . 2 TYR HD1 1 1
3 159 1 1 2 TYR HD2 H 0.277 -6.416 -2.453 1.00 . A A . 2 TYR HD2 1 1
3 160 1 1 2 TYR HE1 H 4.835 -7.178 -4.141 1.00 . A A . 2 TYR HE1 1 1
3 161 1 1 2 TYR HE2 H 0.718 -8.288 -3.987 1.00 . A A . 2 TYR HE2 1 1
3 162 1 1 2 TYR HH H 2.230 -9.341 -5.220 1.00 . A A . 2 TYR HH 1 1
3 163 1 1 2 TYR N N 1.165 -2.284 -1.445 1.00 . A A . 2 TYR N 1 1
3 164 1 1 2 TYR O O -0.593 -4.897 -0.625 1.00 . A A . 2 TYR O 1 1
3 165 1 1 2 TYR OH O 3.054 -8.892 -5.015 1.00 . A A . 2 TYR OH 1 1
3 166 1 1 3 PRO C C -0.909 -1.421 -3.069 1.00 . A A . 3 PRO C 1 1
3 167 1 1 3 PRO CA C -1.288 -2.836 -3.493 1.00 . A A . 3 PRO CA 1 1
3 168 1 1 3 PRO CB C -2.665 -2.843 -4.162 1.00 . A A . 3 PRO CB 1 1
3 169 1 1 3 PRO CD C -2.870 -4.114 -2.147 1.00 . A A . 3 PRO CD 1 1
3 170 1 1 3 PRO CG C -3.616 -3.187 -3.067 1.00 . A A . 3 PRO CG 1 1
3 171 1 1 3 PRO HA H -0.548 -3.214 -4.184 1.00 . A A . 3 PRO HA 1 1
3 172 1 1 3 PRO HB2 H -2.873 -1.866 -4.574 1.00 . A A . 3 PRO HB2 1 1
3 173 1 1 3 PRO HB3 H -2.684 -3.584 -4.947 1.00 . A A . 3 PRO HB3 1 1
3 174 1 1 3 PRO HD2 H -3.172 -3.952 -1.123 1.00 . A A . 3 PRO HD2 1 1
3 175 1 1 3 PRO HD3 H -3.036 -5.142 -2.433 1.00 . A A . 3 PRO HD3 1 1
3 176 1 1 3 PRO HG2 H -3.908 -2.291 -2.541 1.00 . A A . 3 PRO HG2 1 1
3 177 1 1 3 PRO HG3 H -4.483 -3.683 -3.477 1.00 . A A . 3 PRO HG3 1 1
3 178 1 1 3 PRO N N -1.462 -3.734 -2.347 1.00 . A A . 3 PRO N 1 1
3 179 1 1 3 PRO O O -0.229 -0.704 -3.802 1.00 . A A . 3 PRO O 1 1
3 180 1 1 4 VAL C C -0.125 0.227 -0.156 1.00 . A A . 4 VAL C 1 1
3 181 1 1 4 VAL CA C -1.060 0.303 -1.358 1.00 . A A . 4 VAL CA 1 1
3 182 1 1 4 VAL CB C -2.347 1.042 -0.947 1.00 . A A . 4 VAL CB 1 1
3 183 1 1 4 VAL CG1 C -2.019 2.425 -0.405 1.00 . A A . 4 VAL CG1 1 1
3 184 1 1 4 VAL CG2 C -3.306 1.136 -2.124 1.00 . A A . 4 VAL CG2 1 1
3 185 1 1 4 VAL H H -1.892 -1.643 -1.342 1.00 . A A . 4 VAL H 1 1
3 186 1 1 4 VAL HA H -0.578 0.871 -2.141 1.00 . A A . 4 VAL HA 1 1
3 187 1 1 4 VAL HB H -2.828 0.477 -0.162 1.00 . A A . 4 VAL HB 1 1
3 188 1 1 4 VAL HG11 H -1.779 2.352 0.646 1.00 . A A . 4 VAL HG11 1 1
3 189 1 1 4 VAL HG12 H -1.174 2.832 -0.941 1.00 . A A . 4 VAL HG12 1 1
3 190 1 1 4 VAL HG13 H -2.874 3.074 -0.533 1.00 . A A . 4 VAL HG13 1 1
3 191 1 1 4 VAL HG21 H -3.542 2.172 -2.314 1.00 . A A . 4 VAL HG21 1 1
3 192 1 1 4 VAL HG22 H -2.844 0.706 -3.001 1.00 . A A . 4 VAL HG22 1 1
3 193 1 1 4 VAL HG23 H -4.212 0.596 -1.894 1.00 . A A . 4 VAL HG23 1 1
3 194 1 1 4 VAL N N -1.354 -1.026 -1.880 1.00 . A A . 4 VAL N 1 1
3 195 1 1 4 VAL O O -0.571 0.212 0.991 1.00 . A A . 4 VAL O 1 1
4 196 1 1 1 PRO C C 1.982 -1.411 -2.036 1.00 . A A . 1 PRO C 1 1
4 197 1 1 1 PRO CA C 2.123 -0.050 -1.365 1.00 . A A . 1 PRO CA 1 1
4 198 1 1 1 PRO CB C 3.574 0.188 -0.938 1.00 . A A . 1 PRO CB 1 1
4 199 1 1 1 PRO CD C 2.275 0.084 1.066 1.00 . A A . 1 PRO CD 1 1
4 200 1 1 1 PRO CG C 3.625 -0.240 0.488 1.00 . A A . 1 PRO CG 1 1
4 201 1 1 1 PRO HA H 1.817 0.724 -2.054 1.00 . A A . 1 PRO HA 1 1
4 202 1 1 1 PRO HB2 H 4.235 -0.406 -1.554 1.00 . A A . 1 PRO HB2 1 1
4 203 1 1 1 PRO HB3 H 3.818 1.234 -1.045 1.00 . A A . 1 PRO HB3 1 1
4 204 1 1 1 PRO HD2 H 1.993 -0.653 1.803 1.00 . A A . 1 PRO HD2 1 1
4 205 1 1 1 PRO HD3 H 2.279 1.073 1.501 1.00 . A A . 1 PRO HD3 1 1
4 206 1 1 1 PRO HG2 H 3.812 -1.302 0.546 1.00 . A A . 1 PRO HG2 1 1
4 207 1 1 1 PRO HG3 H 4.397 0.308 1.008 1.00 . A A . 1 PRO HG3 1 1
4 208 1 1 1 PRO N N 1.381 0.029 -0.103 1.00 . A A . 1 PRO N 1 1
4 209 1 1 1 PRO O O 2.590 -1.668 -3.076 1.00 . A A . 1 PRO O 1 1
4 210 1 1 2 TYR C C -0.424 -4.141 -1.590 1.00 . A A . 2 TYR C 1 1
4 211 1 1 2 TYR CA C 0.955 -3.617 -1.977 1.00 . A A . 2 TYR CA 1 1
4 212 1 1 2 TYR CB C 2.037 -4.576 -1.476 1.00 . A A . 2 TYR CB 1 1
4 213 1 1 2 TYR CD1 C 3.534 -5.942 -2.982 1.00 . A A . 2 TYR CD1 1 1
4 214 1 1 2 TYR CD2 C 1.275 -6.649 -2.700 1.00 . A A . 2 TYR CD2 1 1
4 215 1 1 2 TYR CE1 C 3.767 -7.007 -3.830 1.00 . A A . 2 TYR CE1 1 1
4 216 1 1 2 TYR CE2 C 1.499 -7.718 -3.546 1.00 . A A . 2 TYR CE2 1 1
4 217 1 1 2 TYR CG C 2.287 -5.744 -2.403 1.00 . A A . 2 TYR CG 1 1
4 218 1 1 2 TYR CZ C 2.746 -7.893 -4.109 1.00 . A A . 2 TYR CZ 1 1
4 219 1 1 2 TYR H H 0.718 -2.018 -0.611 1.00 . A A . 2 TYR H 1 1
4 220 1 1 2 TYR HA H 1.015 -3.554 -3.054 1.00 . A A . 2 TYR HA 1 1
4 221 1 1 2 TYR HB2 H 2.964 -4.036 -1.366 1.00 . A A . 2 TYR HB2 1 1
4 222 1 1 2 TYR HB3 H 1.740 -4.972 -0.516 1.00 . A A . 2 TYR HB3 1 1
4 223 1 1 2 TYR HD1 H 4.331 -5.247 -2.761 1.00 . A A . 2 TYR HD1 1 1
4 224 1 1 2 TYR HD2 H 0.300 -6.510 -2.258 1.00 . A A . 2 TYR HD2 1 1
4 225 1 1 2 TYR HE1 H 4.743 -7.144 -4.271 1.00 . A A . 2 TYR HE1 1 1
4 226 1 1 2 TYR HE2 H 0.701 -8.412 -3.765 1.00 . A A . 2 TYR HE2 1 1
4 227 1 1 2 TYR HH H 2.349 -8.926 -5.681 1.00 . A A . 2 TYR HH 1 1
4 228 1 1 2 TYR N N 1.175 -2.280 -1.437 1.00 . A A . 2 TYR N 1 1
4 229 1 1 2 TYR O O -0.583 -4.898 -0.632 1.00 . A A . 2 TYR O 1 1
4 230 1 1 2 TYR OH O 2.975 -8.956 -4.953 1.00 . A A . 2 TYR OH 1 1
4 231 1 1 3 PRO C C -0.895 -1.414 -3.065 1.00 . A A . 3 PRO C 1 1
4 232 1 1 3 PRO CA C -1.271 -2.827 -3.495 1.00 . A A . 3 PRO CA 1 1
4 233 1 1 3 PRO CB C -2.646 -2.834 -4.168 1.00 . A A . 3 PRO CB 1 1
4 234 1 1 3 PRO CD C -2.856 -4.111 -2.158 1.00 . A A . 3 PRO CD 1 1
4 235 1 1 3 PRO CG C -3.600 -3.182 -3.077 1.00 . A A . 3 PRO CG 1 1
4 236 1 1 3 PRO HA H -0.529 -3.202 -4.185 1.00 . A A . 3 PRO HA 1 1
4 237 1 1 3 PRO HB2 H -2.853 -1.855 -4.578 1.00 . A A . 3 PRO HB2 1 1
4 238 1 1 3 PRO HB3 H -2.662 -3.571 -4.956 1.00 . A A . 3 PRO HB3 1 1
4 239 1 1 3 PRO HD2 H -3.161 -3.953 -1.134 1.00 . A A . 3 PRO HD2 1 1
4 240 1 1 3 PRO HD3 H -3.020 -5.139 -2.448 1.00 . A A . 3 PRO HD3 1 1
4 241 1 1 3 PRO HG2 H -3.895 -2.288 -2.549 1.00 . A A . 3 PRO HG2 1 1
4 242 1 1 3 PRO HG3 H -4.465 -3.678 -3.492 1.00 . A A . 3 PRO HG3 1 1
4 243 1 1 3 PRO N N -1.448 -3.729 -2.352 1.00 . A A . 3 PRO N 1 1
4 244 1 1 3 PRO O O -0.213 -0.693 -3.794 1.00 . A A . 3 PRO O 1 1
4 245 1 1 4 VAL C C -0.120 0.226 -0.144 1.00 . A A . 4 VAL C 1 1
4 246 1 1 4 VAL CA C -1.052 0.305 -1.348 1.00 . A A . 4 VAL CA 1 1
4 247 1 1 4 VAL CB C -2.341 1.041 -0.938 1.00 . A A . 4 VAL CB 1 1
4 248 1 1 4 VAL CG1 C -2.027 2.462 -0.496 1.00 . A A . 4 VAL CG1 1 1
4 249 1 1 4 VAL CG2 C -3.342 1.040 -2.084 1.00 . A A . 4 VAL CG2 1 1
4 250 1 1 4 VAL H H -1.882 -1.642 -1.341 1.00 . A A . 4 VAL H 1 1
4 251 1 1 4 VAL HA H -0.569 0.876 -2.128 1.00 . A A . 4 VAL HA 1 1
4 252 1 1 4 VAL HB H -2.781 0.517 -0.103 1.00 . A A . 4 VAL HB 1 1
4 253 1 1 4 VAL HG11 H -1.707 2.455 0.535 1.00 . A A . 4 VAL HG11 1 1
4 254 1 1 4 VAL HG12 H -1.241 2.867 -1.116 1.00 . A A . 4 VAL HG12 1 1
4 255 1 1 4 VAL HG13 H -2.913 3.073 -0.593 1.00 . A A . 4 VAL HG13 1 1
4 256 1 1 4 VAL HG21 H -4.261 1.505 -1.759 1.00 . A A . 4 VAL HG21 1 1
4 257 1 1 4 VAL HG22 H -2.936 1.592 -2.919 1.00 . A A . 4 VAL HG22 1 1
4 258 1 1 4 VAL HG23 H -3.541 0.023 -2.388 1.00 . A A . 4 VAL HG23 1 1
4 259 1 1 4 VAL N N -1.343 -1.022 -1.876 1.00 . A A . 4 VAL N 1 1
4 260 1 1 4 VAL O O -0.570 0.206 1.001 1.00 . A A . 4 VAL O 1 1
5 261 1 1 1 PRO C C 2.025 -1.340 -1.970 1.00 . A A . 1 PRO C 1 1
5 262 1 1 1 PRO CA C 2.127 -0.017 -1.219 1.00 . A A . 1 PRO CA 1 1
5 263 1 1 1 PRO CB C 3.556 0.205 -0.717 1.00 . A A . 1 PRO CB 1 1
5 264 1 1 1 PRO CD C 2.173 -0.016 1.220 1.00 . A A . 1 PRO CD 1 1
5 265 1 1 1 PRO CG C 3.549 -0.301 0.684 1.00 . A A . 1 PRO CG 1 1
5 266 1 1 1 PRO HA H 1.845 0.792 -1.877 1.00 . A A . 1 PRO HA 1 1
5 267 1 1 1 PRO HB2 H 4.247 -0.351 -1.335 1.00 . A A . 1 PRO HB2 1 1
5 268 1 1 1 PRO HB3 H 3.796 1.257 -0.756 1.00 . A A . 1 PRO HB3 1 1
5 269 1 1 1 PRO HD2 H 1.865 -0.795 1.902 1.00 . A A . 1 PRO HD2 1 1
5 270 1 1 1 PRO HD3 H 2.150 0.947 1.708 1.00 . A A . 1 PRO HD3 1 1
5 271 1 1 1 PRO HG2 H 3.742 -1.363 0.692 1.00 . A A . 1 PRO HG2 1 1
5 272 1 1 1 PRO HG3 H 4.293 0.221 1.266 1.00 . A A . 1 PRO HG3 1 1
5 273 1 1 1 PRO N N 1.330 -0.012 0.012 1.00 . A A . 1 PRO N 1 1
5 274 1 1 1 PRO O O 2.679 -1.535 -2.994 1.00 . A A . 1 PRO O 1 1
5 275 1 1 2 TYR C C -0.375 -4.104 -1.777 1.00 . A A . 2 TYR C 1 1
5 276 1 1 2 TYR CA C 1.015 -3.551 -2.076 1.00 . A A . 2 TYR CA 1 1
5 277 1 1 2 TYR CB C 2.082 -4.530 -1.583 1.00 . A A . 2 TYR CB 1 1
5 278 1 1 2 TYR CD1 C 2.400 -5.622 -3.838 1.00 . A A . 2 TYR CD1 1 1
5 279 1 1 2 TYR CD2 C 2.227 -7.029 -1.921 1.00 . A A . 2 TYR CD2 1 1
5 280 1 1 2 TYR CE1 C 2.542 -6.733 -4.646 1.00 . A A . 2 TYR CE1 1 1
5 281 1 1 2 TYR CE2 C 2.370 -8.145 -2.722 1.00 . A A . 2 TYR CE2 1 1
5 282 1 1 2 TYR CG C 2.239 -5.749 -2.464 1.00 . A A . 2 TYR CG 1 1
5 283 1 1 2 TYR CZ C 2.527 -7.992 -4.084 1.00 . A A . 2 TYR CZ 1 1
5 284 1 1 2 TYR H H 0.707 -2.031 -0.636 1.00 . A A . 2 TYR H 1 1
5 285 1 1 2 TYR HA H 1.120 -3.428 -3.144 1.00 . A A . 2 TYR HA 1 1
5 286 1 1 2 TYR HB2 H 3.034 -4.025 -1.544 1.00 . A A . 2 TYR HB2 1 1
5 287 1 1 2 TYR HB3 H 1.819 -4.869 -0.591 1.00 . A A . 2 TYR HB3 1 1
5 288 1 1 2 TYR HD1 H 2.411 -4.634 -4.275 1.00 . A A . 2 TYR HD1 1 1
5 289 1 1 2 TYR HD2 H 2.104 -7.145 -0.854 1.00 . A A . 2 TYR HD2 1 1
5 290 1 1 2 TYR HE1 H 2.666 -6.613 -5.712 1.00 . A A . 2 TYR HE1 1 1
5 291 1 1 2 TYR HE2 H 2.358 -9.132 -2.282 1.00 . A A . 2 TYR HE2 1 1
5 292 1 1 2 TYR HH H 2.748 -9.885 -4.337 1.00 . A A . 2 TYR HH 1 1
5 293 1 1 2 TYR N N 1.201 -2.245 -1.455 1.00 . A A . 2 TYR N 1 1
5 294 1 1 2 TYR O O -0.568 -4.914 -0.870 1.00 . A A . 2 TYR O 1 1
5 295 1 1 2 TYR OH O 2.671 -9.101 -4.886 1.00 . A A . 2 TYR OH 1 1
5 296 1 1 3 PRO C C -0.805 -1.302 -3.119 1.00 . A A . 3 PRO C 1 1
5 297 1 1 3 PRO CA C -1.151 -2.692 -3.642 1.00 . A A . 3 PRO CA 1 1
5 298 1 1 3 PRO CB C -2.496 -2.669 -4.372 1.00 . A A . 3 PRO CB 1 1
5 299 1 1 3 PRO CD C -2.781 -4.057 -2.447 1.00 . A A . 3 PRO CD 1 1
5 300 1 1 3 PRO CG C -3.493 -3.083 -3.345 1.00 . A A . 3 PRO CG 1 1
5 301 1 1 3 PRO HA H -0.378 -3.024 -4.319 1.00 . A A . 3 PRO HA 1 1
5 302 1 1 3 PRO HB2 H -2.694 -1.671 -4.736 1.00 . A A . 3 PRO HB2 1 1
5 303 1 1 3 PRO HB3 H -2.473 -3.362 -5.200 1.00 . A A . 3 PRO HB3 1 1
5 304 1 1 3 PRO HD2 H -3.131 -3.958 -1.430 1.00 . A A . 3 PRO HD2 1 1
5 305 1 1 3 PRO HD3 H -2.924 -5.068 -2.800 1.00 . A A . 3 PRO HD3 1 1
5 306 1 1 3 PRO HG2 H -3.817 -2.222 -2.781 1.00 . A A . 3 PRO HG2 1 1
5 307 1 1 3 PRO HG3 H -4.335 -3.560 -3.822 1.00 . A A . 3 PRO HG3 1 1
5 308 1 1 3 PRO N N -1.369 -3.656 -2.559 1.00 . A A . 3 PRO N 1 1
5 309 1 1 3 PRO O O -0.099 -0.538 -3.777 1.00 . A A . 3 PRO O 1 1
5 310 1 1 4 VAL C C -0.170 0.178 -0.082 1.00 . A A . 4 VAL C 1 1
5 311 1 1 4 VAL CA C -1.049 0.318 -1.319 1.00 . A A . 4 VAL CA 1 1
5 312 1 1 4 VAL CB C -2.361 1.023 -0.926 1.00 . A A . 4 VAL CB 1 1
5 313 1 1 4 VAL CG1 C -2.079 2.427 -0.412 1.00 . A A . 4 VAL CG1 1 1
5 314 1 1 4 VAL CG2 C -3.320 1.061 -2.106 1.00 . A A . 4 VAL CG2 1 1
5 315 1 1 4 VAL H H -1.863 -1.631 -1.454 1.00 . A A . 4 VAL H 1 1
5 316 1 1 4 VAL HA H -0.538 0.934 -2.045 1.00 . A A . 4 VAL HA 1 1
5 317 1 1 4 VAL HB H -2.825 0.459 -0.130 1.00 . A A . 4 VAL HB 1 1
5 318 1 1 4 VAL HG11 H -2.966 2.820 0.065 1.00 . A A . 4 VAL HG11 1 1
5 319 1 1 4 VAL HG12 H -1.270 2.394 0.303 1.00 . A A . 4 VAL HG12 1 1
5 320 1 1 4 VAL HG13 H -1.804 3.064 -1.239 1.00 . A A . 4 VAL HG13 1 1
5 321 1 1 4 VAL HG21 H -3.897 0.149 -2.129 1.00 . A A . 4 VAL HG21 1 1
5 322 1 1 4 VAL HG22 H -3.986 1.905 -2.002 1.00 . A A . 4 VAL HG22 1 1
5 323 1 1 4 VAL HG23 H -2.759 1.157 -3.023 1.00 . A A . 4 VAL HG23 1 1
5 324 1 1 4 VAL N N -1.307 -0.980 -1.931 1.00 . A A . 4 VAL N 1 1
5 325 1 1 4 VAL O O -0.668 0.091 1.040 1.00 . A A . 4 VAL O 1 1
6 326 1 1 1 PRO C C 1.971 -1.457 -1.990 1.00 . A A . 1 PRO C 1 1
6 327 1 1 1 PRO CA C 2.130 -0.107 -1.299 1.00 . A A . 1 PRO CA 1 1
6 328 1 1 1 PRO CB C 3.574 0.089 -0.833 1.00 . A A . 1 PRO CB 1 1
6 329 1 1 1 PRO CD C 2.222 -0.004 1.136 1.00 . A A . 1 PRO CD 1 1
6 330 1 1 1 PRO CG C 3.578 -0.356 0.589 1.00 . A A . 1 PRO CG 1 1
6 331 1 1 1 PRO HA H 1.861 0.682 -1.987 1.00 . A A . 1 PRO HA 1 1
6 332 1 1 1 PRO HB2 H 4.236 -0.515 -1.439 1.00 . A A . 1 PRO HB2 1 1
6 333 1 1 1 PRO HB3 H 3.847 1.130 -0.921 1.00 . A A . 1 PRO HB3 1 1
6 334 1 1 1 PRO HD2 H 1.903 -0.742 1.857 1.00 . A A . 1 PRO HD2 1 1
6 335 1 1 1 PRO HD3 H 2.240 0.980 1.583 1.00 . A A . 1 PRO HD3 1 1
6 336 1 1 1 PRO HG2 H 3.737 -1.422 0.639 1.00 . A A . 1 PRO HG2 1 1
6 337 1 1 1 PRO HG3 H 4.349 0.166 1.135 1.00 . A A . 1 PRO HG3 1 1
6 338 1 1 1 PRO N N 1.357 -0.023 -0.056 1.00 . A A . 1 PRO N 1 1
6 339 1 1 1 PRO O O 2.599 -1.717 -3.017 1.00 . A A . 1 PRO O 1 1
6 340 1 1 2 TYR C C -0.512 -4.130 -1.635 1.00 . A A . 2 TYR C 1 1
6 341 1 1 2 TYR CA C 0.890 -3.637 -1.982 1.00 . A A . 2 TYR CA 1 1
6 342 1 1 2 TYR CB C 1.934 -4.628 -1.466 1.00 . A A . 2 TYR CB 1 1
6 343 1 1 2 TYR CD1 C 2.642 -5.534 -3.714 1.00 . A A . 2 TYR CD1 1 1
6 344 1 1 2 TYR CD2 C 2.025 -7.091 -2.017 1.00 . A A . 2 TYR CD2 1 1
6 345 1 1 2 TYR CE1 C 2.890 -6.576 -4.586 1.00 . A A . 2 TYR CE1 1 1
6 346 1 1 2 TYR CE2 C 2.272 -8.139 -2.882 1.00 . A A . 2 TYR CE2 1 1
6 347 1 1 2 TYR CG C 2.205 -5.772 -2.417 1.00 . A A . 2 TYR CG 1 1
6 348 1 1 2 TYR CZ C 2.704 -7.877 -4.166 1.00 . A A . 2 TYR CZ 1 1
6 349 1 1 2 TYR H H 0.658 -2.047 -0.604 1.00 . A A . 2 TYR H 1 1
6 350 1 1 2 TYR HA H 0.978 -3.563 -3.056 1.00 . A A . 2 TYR HA 1 1
6 351 1 1 2 TYR HB2 H 2.864 -4.107 -1.301 1.00 . A A . 2 TYR HB2 1 1
6 352 1 1 2 TYR HB3 H 1.591 -5.047 -0.531 1.00 . A A . 2 TYR HB3 1 1
6 353 1 1 2 TYR HD1 H 2.787 -4.514 -4.040 1.00 . A A . 2 TYR HD1 1 1
6 354 1 1 2 TYR HD2 H 1.687 -7.293 -1.011 1.00 . A A . 2 TYR HD2 1 1
6 355 1 1 2 TYR HE1 H 3.228 -6.371 -5.591 1.00 . A A . 2 TYR HE1 1 1
6 356 1 1 2 TYR HE2 H 2.126 -9.158 -2.554 1.00 . A A . 2 TYR HE2 1 1
6 357 1 1 2 TYR HH H 3.844 -9.243 -4.894 1.00 . A A . 2 TYR HH 1 1
6 358 1 1 2 TYR N N 1.129 -2.312 -1.421 1.00 . A A . 2 TYR N 1 1
6 359 1 1 2 TYR O O -0.713 -4.894 -0.690 1.00 . A A . 2 TYR O 1 1
6 360 1 1 2 TYR OH O 2.951 -8.918 -5.031 1.00 . A A . 2 TYR OH 1 1
6 361 1 1 3 PRO C C -0.878 -1.376 -3.089 1.00 . A A . 3 PRO C 1 1
6 362 1 1 3 PRO CA C -1.278 -2.775 -3.545 1.00 . A A . 3 PRO CA 1 1
6 363 1 1 3 PRO CB C -2.635 -2.739 -4.251 1.00 . A A . 3 PRO CB 1 1
6 364 1 1 3 PRO CD C -2.927 -4.034 -2.263 1.00 . A A . 3 PRO CD 1 1
6 365 1 1 3 PRO CG C -3.624 -3.075 -3.189 1.00 . A A . 3 PRO CG 1 1
6 366 1 1 3 PRO HA H -0.529 -3.160 -4.220 1.00 . A A . 3 PRO HA 1 1
6 367 1 1 3 PRO HB2 H -2.808 -1.751 -4.654 1.00 . A A . 3 PRO HB2 1 1
6 368 1 1 3 PRO HB3 H -2.650 -3.467 -5.048 1.00 . A A . 3 PRO HB3 1 1
6 369 1 1 3 PRO HD2 H -3.254 -3.879 -1.245 1.00 . A A . 3 PRO HD2 1 1
6 370 1 1 3 PRO HD3 H -3.109 -5.053 -2.569 1.00 . A A . 3 PRO HD3 1 1
6 371 1 1 3 PRO HG2 H -3.910 -2.181 -2.657 1.00 . A A . 3 PRO HG2 1 1
6 372 1 1 3 PRO HG3 H -4.491 -3.545 -3.630 1.00 . A A . 3 PRO HG3 1 1
6 373 1 1 3 PRO N N -1.505 -3.684 -2.418 1.00 . A A . 3 PRO N 1 1
6 374 1 1 3 PRO O O -0.160 -0.664 -3.792 1.00 . A A . 3 PRO O 1 1
6 375 1 1 4 VAL C C -0.137 0.210 -0.130 1.00 . A A . 4 VAL C 1 1
6 376 1 1 4 VAL CA C -1.035 0.327 -1.356 1.00 . A A . 4 VAL CA 1 1
6 377 1 1 4 VAL CB C -2.316 1.091 -0.970 1.00 . A A . 4 VAL CB 1 1
6 378 1 1 4 VAL CG1 C -1.977 2.494 -0.489 1.00 . A A . 4 VAL CG1 1 1
6 379 1 1 4 VAL CG2 C -3.281 1.140 -2.145 1.00 . A A . 4 VAL CG2 1 1
6 380 1 1 4 VAL H H -1.913 -1.599 -1.393 1.00 . A A . 4 VAL H 1 1
6 381 1 1 4 VAL HA H -0.518 0.894 -2.116 1.00 . A A . 4 VAL HA 1 1
6 382 1 1 4 VAL HB H -2.796 0.563 -0.160 1.00 . A A . 4 VAL HB 1 1
6 383 1 1 4 VAL HG11 H -1.890 2.493 0.587 1.00 . A A . 4 VAL HG11 1 1
6 384 1 1 4 VAL HG12 H -1.041 2.808 -0.928 1.00 . A A . 4 VAL HG12 1 1
6 385 1 1 4 VAL HG13 H -2.761 3.175 -0.786 1.00 . A A . 4 VAL HG13 1 1
6 386 1 1 4 VAL HG21 H -3.960 0.303 -2.087 1.00 . A A . 4 VAL HG21 1 1
6 387 1 1 4 VAL HG22 H -3.843 2.062 -2.112 1.00 . A A . 4 VAL HG22 1 1
6 388 1 1 4 VAL HG23 H -2.726 1.090 -3.070 1.00 . A A . 4 VAL HG23 1 1
6 389 1 1 4 VAL N N -1.346 -0.987 -1.907 1.00 . A A . 4 VAL N 1 1
6 390 1 1 4 VAL O O -0.617 0.189 1.004 1.00 . A A . 4 VAL O 1 1
7 391 1 1 1 PRO C C 1.990 -1.417 -2.018 1.00 . A A . 1 PRO C 1 1
7 392 1 1 1 PRO CA C 2.132 -0.058 -1.341 1.00 . A A . 1 PRO CA 1 1
7 393 1 1 1 PRO CB C 3.580 0.171 -0.899 1.00 . A A . 1 PRO CB 1 1
7 394 1 1 1 PRO CD C 2.259 0.070 1.091 1.00 . A A . 1 PRO CD 1 1
7 395 1 1 1 PRO CG C 3.613 -0.261 0.526 1.00 . A A . 1 PRO CG 1 1
7 396 1 1 1 PRO HA H 1.838 0.719 -2.032 1.00 . A A . 1 PRO HA 1 1
7 397 1 1 1 PRO HB2 H 4.244 -0.426 -1.509 1.00 . A A . 1 PRO HB2 1 1
7 398 1 1 1 PRO HB3 H 3.830 1.216 -1.001 1.00 . A A . 1 PRO HB3 1 1
7 399 1 1 1 PRO HD2 H 1.965 -0.668 1.823 1.00 . A A . 1 PRO HD2 1 1
7 400 1 1 1 PRO HD3 H 2.264 1.057 1.528 1.00 . A A . 1 PRO HD3 1 1
7 401 1 1 1 PRO HG2 H 3.794 -1.324 0.584 1.00 . A A . 1 PRO HG2 1 1
7 402 1 1 1 PRO HG3 H 4.382 0.281 1.056 1.00 . A A . 1 PRO HG3 1 1
7 403 1 1 1 PRO N N 1.377 0.022 -0.087 1.00 . A A . 1 PRO N 1 1
7 404 1 1 1 PRO O O 2.608 -1.675 -3.051 1.00 . A A . 1 PRO O 1 1
7 405 1 1 2 TYR C C -0.434 -4.135 -1.602 1.00 . A A . 2 TYR C 1 1
7 406 1 1 2 TYR CA C 0.952 -3.618 -1.974 1.00 . A A . 2 TYR CA 1 1
7 407 1 1 2 TYR CB C 2.023 -4.584 -1.465 1.00 . A A . 2 TYR CB 1 1
7 408 1 1 2 TYR CD1 C 3.296 -5.748 -3.309 1.00 . A A . 2 TYR CD1 1 1
7 409 1 1 2 TYR CD2 C 1.451 -6.889 -2.321 1.00 . A A . 2 TYR CD2 1 1
7 410 1 1 2 TYR CE1 C 3.517 -6.822 -4.149 1.00 . A A . 2 TYR CE1 1 1
7 411 1 1 2 TYR CE2 C 1.666 -7.969 -3.156 1.00 . A A . 2 TYR CE2 1 1
7 412 1 1 2 TYR CG C 2.261 -5.762 -2.381 1.00 . A A . 2 TYR CG 1 1
7 413 1 1 2 TYR CZ C 2.700 -7.930 -4.069 1.00 . A A . 2 TYR CZ 1 1
7 414 1 1 2 TYR H H 0.709 -2.020 -0.607 1.00 . A A . 2 TYR H 1 1
7 415 1 1 2 TYR HA H 1.023 -3.552 -3.050 1.00 . A A . 2 TYR HA 1 1
7 416 1 1 2 TYR HB2 H 2.957 -4.053 -1.359 1.00 . A A . 2 TYR HB2 1 1
7 417 1 1 2 TYR HB3 H 1.723 -4.968 -0.501 1.00 . A A . 2 TYR HB3 1 1
7 418 1 1 2 TYR HD1 H 3.934 -4.878 -3.370 1.00 . A A . 2 TYR HD1 1 1
7 419 1 1 2 TYR HD2 H 0.642 -6.916 -1.605 1.00 . A A . 2 TYR HD2 1 1
7 420 1 1 2 TYR HE1 H 4.326 -6.792 -4.864 1.00 . A A . 2 TYR HE1 1 1
7 421 1 1 2 TYR HE2 H 1.026 -8.836 -3.094 1.00 . A A . 2 TYR HE2 1 1
7 422 1 1 2 TYR HH H 2.555 -8.809 -5.772 1.00 . A A . 2 TYR HH 1 1
7 423 1 1 2 TYR N N 1.173 -2.284 -1.429 1.00 . A A . 2 TYR N 1 1
7 424 1 1 2 TYR O O -0.606 -4.894 -0.648 1.00 . A A . 2 TYR O 1 1
7 425 1 1 2 TYR OH O 2.916 -9.002 -4.903 1.00 . A A . 2 TYR OH 1 1
7 426 1 1 3 PRO C C -0.876 -1.402 -3.075 1.00 . A A . 3 PRO C 1 1
7 427 1 1 3 PRO CA C -1.255 -2.813 -3.512 1.00 . A A . 3 PRO CA 1 1
7 428 1 1 3 PRO CB C -2.623 -2.810 -4.199 1.00 . A A . 3 PRO CB 1 1
7 429 1 1 3 PRO CD C -2.860 -4.092 -2.195 1.00 . A A . 3 PRO CD 1 1
7 430 1 1 3 PRO CG C -3.589 -3.156 -3.119 1.00 . A A . 3 PRO CG 1 1
7 431 1 1 3 PRO HA H -0.508 -3.190 -4.196 1.00 . A A . 3 PRO HA 1 1
7 432 1 1 3 PRO HB2 H -2.821 -1.830 -4.608 1.00 . A A . 3 PRO HB2 1 1
7 433 1 1 3 PRO HB3 H -2.634 -3.546 -4.989 1.00 . A A . 3 PRO HB3 1 1
7 434 1 1 3 PRO HD2 H -3.174 -3.935 -1.174 1.00 . A A . 3 PRO HD2 1 1
7 435 1 1 3 PRO HD3 H -3.026 -5.118 -2.489 1.00 . A A . 3 PRO HD3 1 1
7 436 1 1 3 PRO HG2 H -3.885 -2.263 -2.591 1.00 . A A . 3 PRO HG2 1 1
7 437 1 1 3 PRO HG3 H -4.453 -3.647 -3.543 1.00 . A A . 3 PRO HG3 1 1
7 438 1 1 3 PRO N N -1.447 -3.716 -2.374 1.00 . A A . 3 PRO N 1 1
7 439 1 1 3 PRO O O -0.182 -0.683 -3.795 1.00 . A A . 3 PRO O 1 1
7 440 1 1 4 VAL C C -0.123 0.226 -0.142 1.00 . A A . 4 VAL C 1 1
7 441 1 1 4 VAL CA C -1.042 0.313 -1.356 1.00 . A A . 4 VAL CA 1 1
7 442 1 1 4 VAL CB C -2.331 1.055 -0.957 1.00 . A A . 4 VAL CB 1 1
7 443 1 1 4 VAL CG1 C -2.017 2.480 -0.529 1.00 . A A . 4 VAL CG1 1 1
7 444 1 1 4 VAL CG2 C -3.329 1.043 -2.106 1.00 . A A . 4 VAL CG2 1 1
7 445 1 1 4 VAL H H -1.882 -1.629 -1.362 1.00 . A A . 4 VAL H 1 1
7 446 1 1 4 VAL HA H -0.547 0.883 -2.129 1.00 . A A . 4 VAL HA 1 1
7 447 1 1 4 VAL HB H -2.774 0.540 -0.118 1.00 . A A . 4 VAL HB 1 1
7 448 1 1 4 VAL HG11 H -1.976 2.531 0.549 1.00 . A A . 4 VAL HG11 1 1
7 449 1 1 4 VAL HG12 H -1.064 2.779 -0.941 1.00 . A A . 4 VAL HG12 1 1
7 450 1 1 4 VAL HG13 H -2.789 3.143 -0.890 1.00 . A A . 4 VAL HG13 1 1
7 451 1 1 4 VAL HG21 H -4.057 1.826 -1.957 1.00 . A A . 4 VAL HG21 1 1
7 452 1 1 4 VAL HG22 H -2.808 1.207 -3.038 1.00 . A A . 4 VAL HG22 1 1
7 453 1 1 4 VAL HG23 H -3.829 0.086 -2.138 1.00 . A A . 4 VAL HG23 1 1
7 454 1 1 4 VAL N N -1.334 -1.012 -1.890 1.00 . A A . 4 VAL N 1 1
7 455 1 1 4 VAL O O -0.585 0.205 0.999 1.00 . A A . 4 VAL O 1 1
8 456 1 1 1 PRO C C 2.035 -1.282 -2.013 1.00 . A A . 1 PRO C 1 1
8 457 1 1 1 PRO CA C 2.113 0.044 -1.265 1.00 . A A . 1 PRO CA 1 1
8 458 1 1 1 PRO CB C 3.544 0.307 -0.789 1.00 . A A . 1 PRO CB 1 1
8 459 1 1 1 PRO CD C 2.202 0.049 1.172 1.00 . A A . 1 PRO CD 1 1
8 460 1 1 1 PRO CG C 3.576 -0.197 0.612 1.00 . A A . 1 PRO CG 1 1
8 461 1 1 1 PRO HA H 1.796 0.844 -1.919 1.00 . A A . 1 PRO HA 1 1
8 462 1 1 1 PRO HB2 H 4.239 -0.229 -1.419 1.00 . A A . 1 PRO HB2 1 1
8 463 1 1 1 PRO HB3 H 3.752 1.366 -0.833 1.00 . A A . 1 PRO HB3 1 1
8 464 1 1 1 PRO HD2 H 1.929 -0.737 1.860 1.00 . A A . 1 PRO HD2 1 1
8 465 1 1 1 PRO HD3 H 2.161 1.011 1.661 1.00 . A A . 1 PRO HD3 1 1
8 466 1 1 1 PRO HG2 H 3.799 -1.253 0.617 1.00 . A A . 1 PRO HG2 1 1
8 467 1 1 1 PRO HG3 H 4.315 0.347 1.181 1.00 . A A . 1 PRO HG3 1 1
8 468 1 1 1 PRO N N 1.338 0.028 -0.020 1.00 . A A . 1 PRO N 1 1
8 469 1 1 1 PRO O O 2.676 -1.460 -3.050 1.00 . A A . 1 PRO O 1 1
8 470 1 1 2 TYR C C -0.281 -4.113 -1.777 1.00 . A A . 2 TYR C 1 1
8 471 1 1 2 TYR CA C 1.087 -3.521 -2.100 1.00 . A A . 2 TYR CA 1 1
8 472 1 1 2 TYR CB C 2.190 -4.469 -1.625 1.00 . A A . 2 TYR CB 1 1
8 473 1 1 2 TYR CD1 C 2.948 -5.744 -3.669 1.00 . A A . 2 TYR CD1 1 1
8 474 1 1 2 TYR CD2 C 1.734 -6.926 -1.992 1.00 . A A . 2 TYR CD2 1 1
8 475 1 1 2 TYR CE1 C 3.044 -6.900 -4.420 1.00 . A A . 2 TYR CE1 1 1
8 476 1 1 2 TYR CE2 C 1.826 -8.086 -2.736 1.00 . A A . 2 TYR CE2 1 1
8 477 1 1 2 TYR CG C 2.293 -5.737 -2.443 1.00 . A A . 2 TYR CG 1 1
8 478 1 1 2 TYR CZ C 2.482 -8.068 -3.949 1.00 . A A . 2 TYR CZ 1 1
8 479 1 1 2 TYR H H 0.761 -2.009 -0.655 1.00 . A A . 2 TYR H 1 1
8 480 1 1 2 TYR HA H 1.169 -3.397 -3.170 1.00 . A A . 2 TYR HA 1 1
8 481 1 1 2 TYR HB2 H 3.140 -3.961 -1.681 1.00 . A A . 2 TYR HB2 1 1
8 482 1 1 2 TYR HB3 H 1.997 -4.750 -0.600 1.00 . A A . 2 TYR HB3 1 1
8 483 1 1 2 TYR HD1 H 3.387 -4.828 -4.035 1.00 . A A . 2 TYR HD1 1 1
8 484 1 1 2 TYR HD2 H 1.221 -6.936 -1.041 1.00 . A A . 2 TYR HD2 1 1
8 485 1 1 2 TYR HE1 H 3.558 -6.886 -5.370 1.00 . A A . 2 TYR HE1 1 1
8 486 1 1 2 TYR HE2 H 1.386 -9.001 -2.367 1.00 . A A . 2 TYR HE2 1 1
8 487 1 1 2 TYR HH H 1.858 -9.248 -5.332 1.00 . A A . 2 TYR HH 1 1
8 488 1 1 2 TYR N N 1.247 -2.210 -1.483 1.00 . A A . 2 TYR N 1 1
8 489 1 1 2 TYR O O -0.435 -4.927 -0.866 1.00 . A A . 2 TYR O 1 1
8 490 1 1 2 TYR OH O 2.575 -9.221 -4.694 1.00 . A A . 2 TYR OH 1 1
8 491 1 1 3 PRO C C -0.815 -1.326 -3.113 1.00 . A A . 3 PRO C 1 1
8 492 1 1 3 PRO CA C -1.130 -2.726 -3.628 1.00 . A A . 3 PRO CA 1 1
8 493 1 1 3 PRO CB C -2.488 -2.743 -4.335 1.00 . A A . 3 PRO CB 1 1
8 494 1 1 3 PRO CD C -2.699 -4.136 -2.404 1.00 . A A . 3 PRO CD 1 1
8 495 1 1 3 PRO CG C -3.454 -3.183 -3.289 1.00 . A A . 3 PRO CG 1 1
8 496 1 1 3 PRO HA H -0.359 -3.036 -4.319 1.00 . A A . 3 PRO HA 1 1
8 497 1 1 3 PRO HB2 H -2.720 -1.751 -4.696 1.00 . A A . 3 PRO HB2 1 1
8 498 1 1 3 PRO HB3 H -2.459 -3.436 -5.162 1.00 . A A . 3 PRO HB3 1 1
8 499 1 1 3 PRO HD2 H -3.033 -4.045 -1.381 1.00 . A A . 3 PRO HD2 1 1
8 500 1 1 3 PRO HD3 H -2.819 -5.151 -2.753 1.00 . A A . 3 PRO HD3 1 1
8 501 1 1 3 PRO HG2 H -3.793 -2.331 -2.720 1.00 . A A . 3 PRO HG2 1 1
8 502 1 1 3 PRO HG3 H -4.291 -3.685 -3.752 1.00 . A A . 3 PRO HG3 1 1
8 503 1 1 3 PRO N N -1.301 -3.695 -2.541 1.00 . A A . 3 PRO N 1 1
8 504 1 1 3 PRO O O -0.142 -0.543 -3.784 1.00 . A A . 3 PRO O 1 1
8 505 1 1 4 VAL C C -0.168 0.174 -0.088 1.00 . A A . 4 VAL C 1 1
8 506 1 1 4 VAL CA C -1.073 0.288 -1.309 1.00 . A A . 4 VAL CA 1 1
8 507 1 1 4 VAL CB C -2.397 0.956 -0.893 1.00 . A A . 4 VAL CB 1 1
8 508 1 1 4 VAL CG1 C -2.138 2.336 -0.306 1.00 . A A . 4 VAL CG1 1 1
8 509 1 1 4 VAL CG2 C -3.346 1.042 -2.079 1.00 . A A . 4 VAL CG2 1 1
8 510 1 1 4 VAL H H -1.833 -1.683 -1.429 1.00 . A A . 4 VAL H 1 1
8 511 1 1 4 VAL HA H -0.592 0.918 -2.044 1.00 . A A . 4 VAL HA 1 1
8 512 1 1 4 VAL HB H -2.860 0.347 -0.132 1.00 . A A . 4 VAL HB 1 1
8 513 1 1 4 VAL HG11 H -1.716 2.976 -1.067 1.00 . A A . 4 VAL HG11 1 1
8 514 1 1 4 VAL HG12 H -3.068 2.757 0.047 1.00 . A A . 4 VAL HG12 1 1
8 515 1 1 4 VAL HG13 H -1.445 2.251 0.518 1.00 . A A . 4 VAL HG13 1 1
8 516 1 1 4 VAL HG21 H -3.401 0.080 -2.565 1.00 . A A . 4 VAL HG21 1 1
8 517 1 1 4 VAL HG22 H -4.329 1.328 -1.734 1.00 . A A . 4 VAL HG22 1 1
8 518 1 1 4 VAL HG23 H -2.982 1.779 -2.779 1.00 . A A . 4 VAL HG23 1 1
8 519 1 1 4 VAL N N -1.304 -1.017 -1.916 1.00 . A A . 4 VAL N 1 1
8 520 1 1 4 VAL O O -0.644 0.076 1.043 1.00 . A A . 4 VAL O 1 1
9 521 1 1 1 PRO C C 1.976 -1.415 -2.015 1.00 . A A . 1 PRO C 1 1
9 522 1 1 1 PRO CA C 2.116 -0.066 -1.318 1.00 . A A . 1 PRO CA 1 1
9 523 1 1 1 PRO CB C 3.561 0.152 -0.860 1.00 . A A . 1 PRO CB 1 1
9 524 1 1 1 PRO CD C 2.224 0.026 1.117 1.00 . A A . 1 PRO CD 1 1
9 525 1 1 1 PRO CG C 3.581 -0.301 0.559 1.00 . A A . 1 PRO CG 1 1
9 526 1 1 1 PRO HA H 1.830 0.722 -1.999 1.00 . A A . 1 PRO HA 1 1
9 527 1 1 1 PRO HB2 H 4.228 -0.438 -1.473 1.00 . A A . 1 PRO HB2 1 1
9 528 1 1 1 PRO HB3 H 3.815 1.198 -0.944 1.00 . A A . 1 PRO HB3 1 1
9 529 1 1 1 PRO HD2 H 1.921 -0.722 1.836 1.00 . A A . 1 PRO HD2 1 1
9 530 1 1 1 PRO HD3 H 2.228 1.007 1.569 1.00 . A A . 1 PRO HD3 1 1
9 531 1 1 1 PRO HG2 H 3.759 -1.365 0.603 1.00 . A A . 1 PRO HG2 1 1
9 532 1 1 1 PRO HG3 H 4.348 0.232 1.103 1.00 . A A . 1 PRO HG3 1 1
9 533 1 1 1 PRO N N 1.351 -0.002 -0.069 1.00 . A A . 1 PRO N 1 1
9 534 1 1 1 PRO O O 2.601 -1.659 -3.047 1.00 . A A . 1 PRO O 1 1
9 535 1 1 2 TYR C C -0.459 -4.131 -1.659 1.00 . A A . 2 TYR C 1 1
9 536 1 1 2 TYR CA C 0.931 -3.612 -2.012 1.00 . A A . 2 TYR CA 1 1
9 537 1 1 2 TYR CB C 1.995 -4.589 -1.508 1.00 . A A . 2 TYR CB 1 1
9 538 1 1 2 TYR CD1 C 2.803 -5.599 -3.677 1.00 . A A . 2 TYR CD1 1 1
9 539 1 1 2 TYR CD2 C 1.847 -7.051 -2.047 1.00 . A A . 2 TYR CD2 1 1
9 540 1 1 2 TYR CE1 C 3.009 -6.673 -4.521 1.00 . A A . 2 TYR CE1 1 1
9 541 1 1 2 TYR CE2 C 2.051 -8.132 -2.883 1.00 . A A . 2 TYR CE2 1 1
9 542 1 1 2 TYR CG C 2.219 -5.768 -2.428 1.00 . A A . 2 TYR CG 1 1
9 543 1 1 2 TYR CZ C 2.631 -7.938 -4.119 1.00 . A A . 2 TYR CZ 1 1
9 544 1 1 2 TYR H H 0.682 -2.034 -0.624 1.00 . A A . 2 TYR H 1 1
9 545 1 1 2 TYR HA H 1.011 -3.531 -3.086 1.00 . A A . 2 TYR HA 1 1
9 546 1 1 2 TYR HB2 H 2.934 -4.066 -1.405 1.00 . A A . 2 TYR HB2 1 1
9 547 1 1 2 TYR HB3 H 1.695 -4.972 -0.544 1.00 . A A . 2 TYR HB3 1 1
9 548 1 1 2 TYR HD1 H 3.098 -4.607 -3.988 1.00 . A A . 2 TYR HD1 1 1
9 549 1 1 2 TYR HD2 H 1.393 -7.200 -1.078 1.00 . A A . 2 TYR HD2 1 1
9 550 1 1 2 TYR HE1 H 3.464 -6.521 -5.488 1.00 . A A . 2 TYR HE1 1 1
9 551 1 1 2 TYR HE2 H 1.755 -9.122 -2.570 1.00 . A A . 2 TYR HE2 1 1
9 552 1 1 2 TYR HH H 3.773 -9.211 -4.995 1.00 . A A . 2 TYR HH 1 1
9 553 1 1 2 TYR N N 1.152 -2.287 -1.445 1.00 . A A . 2 TYR N 1 1
9 554 1 1 2 TYR O O -0.641 -4.903 -0.717 1.00 . A A . 2 TYR O 1 1
9 555 1 1 2 TYR OH O 2.835 -9.011 -4.956 1.00 . A A . 2 TYR OH 1 1
9 556 1 1 3 PRO C C -0.881 -1.375 -3.095 1.00 . A A . 3 PRO C 1 1
9 557 1 1 3 PRO CA C -1.261 -2.778 -3.556 1.00 . A A . 3 PRO CA 1 1
9 558 1 1 3 PRO CB C -2.623 -2.762 -4.253 1.00 . A A . 3 PRO CB 1 1
9 559 1 1 3 PRO CD C -2.881 -4.071 -2.270 1.00 . A A . 3 PRO CD 1 1
9 560 1 1 3 PRO CG C -3.599 -3.120 -3.186 1.00 . A A . 3 PRO CG 1 1
9 561 1 1 3 PRO HA H -0.509 -3.147 -4.239 1.00 . A A . 3 PRO HA 1 1
9 562 1 1 3 PRO HB2 H -2.815 -1.774 -4.650 1.00 . A A . 3 PRO HB2 1 1
9 563 1 1 3 PRO HB3 H -2.631 -3.485 -5.054 1.00 . A A . 3 PRO HB3 1 1
9 564 1 1 3 PRO HD2 H -3.203 -3.928 -1.250 1.00 . A A . 3 PRO HD2 1 1
9 565 1 1 3 PRO HD3 H -3.047 -5.093 -2.581 1.00 . A A . 3 PRO HD3 1 1
9 566 1 1 3 PRO HG2 H -3.897 -2.234 -2.648 1.00 . A A . 3 PRO HG2 1 1
9 567 1 1 3 PRO HG3 H -4.461 -3.602 -3.625 1.00 . A A . 3 PRO HG3 1 1
9 568 1 1 3 PRO N N -1.465 -3.698 -2.433 1.00 . A A . 3 PRO N 1 1
9 569 1 1 3 PRO O O -0.180 -0.648 -3.798 1.00 . A A . 3 PRO O 1 1
9 570 1 1 4 VAL C C -0.148 0.207 -0.132 1.00 . A A . 4 VAL C 1 1
9 571 1 1 4 VAL CA C -1.056 0.315 -1.352 1.00 . A A . 4 VAL CA 1 1
9 572 1 1 4 VAL CB C -2.347 1.055 -0.953 1.00 . A A . 4 VAL CB 1 1
9 573 1 1 4 VAL CG1 C -2.019 2.412 -0.349 1.00 . A A . 4 VAL CG1 1 1
9 574 1 1 4 VAL CG2 C -3.267 1.206 -2.155 1.00 . A A . 4 VAL CG2 1 1
9 575 1 1 4 VAL H H -1.902 -1.624 -1.394 1.00 . A A . 4 VAL H 1 1
9 576 1 1 4 VAL HA H -0.554 0.895 -2.113 1.00 . A A . 4 VAL HA 1 1
9 577 1 1 4 VAL HB H -2.859 0.467 -0.206 1.00 . A A . 4 VAL HB 1 1
9 578 1 1 4 VAL HG11 H -1.181 2.846 -0.873 1.00 . A A . 4 VAL HG11 1 1
9 579 1 1 4 VAL HG12 H -2.877 3.063 -0.438 1.00 . A A . 4 VAL HG12 1 1
9 580 1 1 4 VAL HG13 H -1.767 2.290 0.694 1.00 . A A . 4 VAL HG13 1 1
9 581 1 1 4 VAL HG21 H -3.634 0.234 -2.451 1.00 . A A . 4 VAL HG21 1 1
9 582 1 1 4 VAL HG22 H -4.101 1.841 -1.893 1.00 . A A . 4 VAL HG22 1 1
9 583 1 1 4 VAL HG23 H -2.721 1.649 -2.974 1.00 . A A . 4 VAL HG23 1 1
9 584 1 1 4 VAL N N -1.348 -1.001 -1.908 1.00 . A A . 4 VAL N 1 1
9 585 1 1 4 VAL O O -0.619 0.172 1.004 1.00 . A A . 4 VAL O 1 1
10 586 1 1 1 PRO C C 1.998 -1.414 -1.972 1.00 . A A . 1 PRO C 1 1
10 587 1 1 1 PRO CA C 2.122 -0.062 -1.277 1.00 . A A . 1 PRO CA 1 1
10 588 1 1 1 PRO CB C 3.556 0.161 -0.792 1.00 . A A . 1 PRO CB 1 1
10 589 1 1 1 PRO CD C 2.181 0.038 1.159 1.00 . A A . 1 PRO CD 1 1
10 590 1 1 1 PRO CG C 3.550 -0.287 0.629 1.00 . A A . 1 PRO CG 1 1
10 591 1 1 1 PRO HA H 1.847 0.722 -1.966 1.00 . A A . 1 PRO HA 1 1
10 592 1 1 1 PRO HB2 H 4.237 -0.429 -1.390 1.00 . A A . 1 PRO HB2 1 1
10 593 1 1 1 PRO HB3 H 3.810 1.207 -0.875 1.00 . A A . 1 PRO HB3 1 1
10 594 1 1 1 PRO HD2 H 1.867 -0.707 1.875 1.00 . A A . 1 PRO HD2 1 1
10 595 1 1 1 PRO HD3 H 2.174 1.021 1.608 1.00 . A A . 1 PRO HD3 1 1
10 596 1 1 1 PRO HG2 H 3.730 -1.350 0.680 1.00 . A A . 1 PRO HG2 1 1
10 597 1 1 1 PRO HG3 H 4.305 0.249 1.185 1.00 . A A . 1 PRO HG3 1 1
10 598 1 1 1 PRO N N 1.332 0.004 -0.043 1.00 . A A . 1 PRO N 1 1
10 599 1 1 1 PRO O O 2.644 -1.660 -2.991 1.00 . A A . 1 PRO O 1 1
10 600 1 1 2 TYR C C -0.436 -4.136 -1.653 1.00 . A A . 2 TYR C 1 1
10 601 1 1 2 TYR CA C 0.960 -3.614 -1.981 1.00 . A A . 2 TYR CA 1 1
10 602 1 1 2 TYR CB C 2.016 -4.586 -1.453 1.00 . A A . 2 TYR CB 1 1
10 603 1 1 2 TYR CD1 C 2.792 -5.578 -3.642 1.00 . A A . 2 TYR CD1 1 1
10 604 1 1 2 TYR CD2 C 1.979 -7.060 -1.960 1.00 . A A . 2 TYR CD2 1 1
10 605 1 1 2 TYR CE1 C 3.022 -6.651 -4.482 1.00 . A A . 2 TYR CE1 1 1
10 606 1 1 2 TYR CE2 C 2.208 -8.138 -2.793 1.00 . A A . 2 TYR CE2 1 1
10 607 1 1 2 TYR CG C 2.267 -5.763 -2.368 1.00 . A A . 2 TYR CG 1 1
10 608 1 1 2 TYR CZ C 2.729 -7.928 -4.053 1.00 . A A . 2 TYR CZ 1 1
10 609 1 1 2 TYR H H 0.679 -2.032 -0.603 1.00 . A A . 2 TYR H 1 1
10 610 1 1 2 TYR HA H 1.060 -3.537 -3.054 1.00 . A A . 2 TYR HA 1 1
10 611 1 1 2 TYR HB2 H 2.950 -4.060 -1.328 1.00 . A A . 2 TYR HB2 1 1
10 612 1 1 2 TYR HB3 H 1.695 -4.972 -0.497 1.00 . A A . 2 TYR HB3 1 1
10 613 1 1 2 TYR HD1 H 3.020 -4.576 -3.975 1.00 . A A . 2 TYR HD1 1 1
10 614 1 1 2 TYR HD2 H 1.571 -7.220 -0.973 1.00 . A A . 2 TYR HD2 1 1
10 615 1 1 2 TYR HE1 H 3.431 -6.487 -5.468 1.00 . A A . 2 TYR HE1 1 1
10 616 1 1 2 TYR HE2 H 1.978 -9.138 -2.458 1.00 . A A . 2 TYR HE2 1 1
10 617 1 1 2 TYR HH H 2.245 -9.064 -5.527 1.00 . A A . 2 TYR HH 1 1
10 618 1 1 2 TYR N N 1.166 -2.286 -1.415 1.00 . A A . 2 TYR N 1 1
10 619 1 1 2 TYR O O -0.635 -4.904 -0.712 1.00 . A A . 2 TYR O 1 1
10 620 1 1 2 TYR OH O 2.957 -9.000 -4.886 1.00 . A A . 2 TYR OH 1 1
10 621 1 1 3 PRO C C -0.837 -1.386 -3.107 1.00 . A A . 3 PRO C 1 1
10 622 1 1 3 PRO CA C -1.204 -2.792 -3.570 1.00 . A A . 3 PRO CA 1 1
10 623 1 1 3 PRO CB C -2.553 -2.781 -4.294 1.00 . A A . 3 PRO CB 1 1
10 624 1 1 3 PRO CD C -2.845 -4.085 -2.312 1.00 . A A . 3 PRO CD 1 1
10 625 1 1 3 PRO CG C -3.549 -3.139 -3.245 1.00 . A A . 3 PRO CG 1 1
10 626 1 1 3 PRO HA H -0.439 -3.161 -4.237 1.00 . A A . 3 PRO HA 1 1
10 627 1 1 3 PRO HB2 H -2.740 -1.796 -4.698 1.00 . A A . 3 PRO HB2 1 1
10 628 1 1 3 PRO HB3 H -2.543 -3.508 -5.092 1.00 . A A . 3 PRO HB3 1 1
10 629 1 1 3 PRO HD2 H -3.187 -3.939 -1.298 1.00 . A A . 3 PRO HD2 1 1
10 630 1 1 3 PRO HD3 H -3.003 -5.107 -2.621 1.00 . A A . 3 PRO HD3 1 1
10 631 1 1 3 PRO HG2 H -3.859 -2.251 -2.716 1.00 . A A . 3 PRO HG2 1 1
10 632 1 1 3 PRO HG3 H -4.400 -3.624 -3.698 1.00 . A A . 3 PRO HG3 1 1
10 633 1 1 3 PRO N N -1.428 -3.708 -2.448 1.00 . A A . 3 PRO N 1 1
10 634 1 1 3 PRO O O -0.125 -0.660 -3.800 1.00 . A A . 3 PRO O 1 1
10 635 1 1 4 VAL C C -0.166 0.209 -0.137 1.00 . A A . 4 VAL C 1 1
10 636 1 1 4 VAL CA C -1.050 0.310 -1.374 1.00 . A A . 4 VAL CA 1 1
10 637 1 1 4 VAL CB C -2.350 1.048 -1.004 1.00 . A A . 4 VAL CB 1 1
10 638 1 1 4 VAL CG1 C -2.039 2.413 -0.409 1.00 . A A . 4 VAL CG1 1 1
10 639 1 1 4 VAL CG2 C -3.252 1.181 -2.221 1.00 . A A . 4 VAL CG2 1 1
10 640 1 1 4 VAL H H -1.890 -1.632 -1.425 1.00 . A A . 4 VAL H 1 1
10 641 1 1 4 VAL HA H -0.535 0.889 -2.127 1.00 . A A . 4 VAL HA 1 1
10 642 1 1 4 VAL HB H -2.871 0.466 -0.258 1.00 . A A . 4 VAL HB 1 1
10 643 1 1 4 VAL HG11 H -2.818 3.110 -0.680 1.00 . A A . 4 VAL HG11 1 1
10 644 1 1 4 VAL HG12 H -1.983 2.333 0.667 1.00 . A A . 4 VAL HG12 1 1
10 645 1 1 4 VAL HG13 H -1.093 2.765 -0.794 1.00 . A A . 4 VAL HG13 1 1
10 646 1 1 4 VAL HG21 H -3.833 0.278 -2.339 1.00 . A A . 4 VAL HG21 1 1
10 647 1 1 4 VAL HG22 H -3.918 2.022 -2.087 1.00 . A A . 4 VAL HG22 1 1
10 648 1 1 4 VAL HG23 H -2.648 1.339 -3.102 1.00 . A A . 4 VAL HG23 1 1
10 649 1 1 4 VAL N N -1.328 -1.009 -1.931 1.00 . A A . 4 VAL N 1 1
10 650 1 1 4 VAL O O -0.659 0.176 0.990 1.00 . A A . 4 VAL O 1 1
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