NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
430084 |
2jnr   |
15124 | cing | 4-filtered-FRED | STAR | entry | full | 16 |
data_FRED_restraints_with_modified_coordinates_PDB_code_2jnr
# This FRED archive file contains, for PDB entry <2jnr>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process and the filtering process
# used in creating these files, the NMR restraints information in these files
# may differ significantly from that in the originally deposited file. Other
# modifications could have occurred to the NMR restraints information, or data
# could have been lost because of parsing or conversion errors. The PDB file
# remains the authoritative reference for the atomic coordinates and the
# originally deposited restraints files remain the primary reference for these
# data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_Conversion_project_for_entry_Name_1
_Study_list.Sf_category study_list
_Study_list.Entry_ID 1
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project for entry 1" NMR . 1 1
stop_
save_
save_originalConstraints_1
_Entry.Sf_category entry_information
_Entry.ID 1
_Entry.Title "Data for entry 1"
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Details .
save_
save_assembly_2jnr
_Assembly.Sf_category assembly
_Assembly.Entry_ID 1
_Assembly.ID 1
_Assembly.Name 2jnr
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Paramagnetic .
_Assembly.Thiol_state "all disulfide bound"
_Assembly.Molecular_mass 4365.15
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 $VIR165 A . 1 1
2 . 2 $ENV_polyprotein B . 1 1
stop_
save_
save_VIR165
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 1
_Entity.Name VIR165
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code LEAIPCSIPPCFAFNKPFVF
_Entity.Number_of_monomers 20
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 LEU . 1 1
2 GLU . 1 1
3 ALA . 1 1
4 ILE . 1 1
5 PRO . 1 1
6 CYS . 1 1
7 SER . 1 1
8 ILE . 1 1
9 PRO . 1 1
10 PRO . 1 1
11 CYS . 1 1
12 PHE . 1 1
13 ALA . 1 1
14 PHE . 1 1
15 ASN . 1 1
16 LYS . 1 1
17 PRO . 1 1
18 PHE . 1 1
19 VAL . 1 1
20 PHE . 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
LEU 1 1 1 1
GLU 2 2 1 1
ALA 3 3 1 1
ILE 4 4 1 1
PRO 5 5 1 1
CYS 6 6 1 1
SER 7 7 1 1
ILE 8 8 1 1
PRO 9 9 1 1
PRO 10 10 1 1
CYS 11 11 1 1
PHE 12 12 1 1
ALA 13 13 1 1
PHE 14 14 1 1
ASN 15 15 1 1
LYS 16 16 1 1
PRO 17 17 1 1
PHE 18 18 1 1
VAL 19 19 1 1
PHE 20 20 1 1
stop_
save_
save_ENV_polyprotein
_Entity.Sf_category entity
_Entity.Entry_ID 1
_Entity.ID 2
_Entity.Name "ENV polyprotein"
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_seq_one_letter_code AVGIGALFLGFLGAAGSTMGARS
_Entity.Number_of_monomers 23
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 ALA . 1 2
2 VAL . 1 2
3 GLY . 1 2
4 ILE . 1 2
5 GLY . 1 2
6 ALA . 1 2
7 LEU . 1 2
8 PHE . 1 2
9 LEU . 1 2
10 GLY . 1 2
11 PHE . 1 2
12 LEU . 1 2
13 GLY . 1 2
14 ALA . 1 2
15 ALA . 1 2
16 GLY . 1 2
17 SER . 1 2
18 THR . 1 2
19 MET . 1 2
20 GLY . 1 2
21 ALA . 1 2
22 ARG . 1 2
23 SER . 1 2
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
ALA 1 1 1 2
VAL 2 2 1 2
GLY 3 3 1 2
ILE 4 4 1 2
GLY 5 5 1 2
ALA 6 6 1 2
LEU 7 7 1 2
PHE 8 8 1 2
LEU 9 9 1 2
GLY 10 10 1 2
PHE 11 11 1 2
LEU 12 12 1 2
GLY 13 13 1 2
ALA 14 14 1 2
ALA 15 15 1 2
GLY 16 16 1 2
SER 17 17 1 2
THR 18 18 1 2
MET 19 19 1 2
GLY 20 20 1 2
ALA 21 21 1 2
ARG 22 22 1 2
SER 23 23 1 2
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID 1
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID .
_Distance_constraint_list.Block_ID .
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . 1 1
2 1 . . . 1 1
3 1 . . . 1 1
4 1 . . . 1 1
5 1 . . . 1 1
6 1 . . . 1 1
7 1 . . . 1 1
8 1 . . . 1 1
9 1 . . . 1 1
10 1 . . . 1 1
11 1 . . . 1 1
12 1 . . . 1 1
13 1 . . . 1 1
14 1 . . . 1 1
15 1 . . . 1 1
16 1 . . . 1 1
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 6 CYS QB . 106 CYS QB 1 1
1 1 2 1 1 8 ILE H . 108 ILE HN 1 1
2 1 1 1 1 6 CYS QB . 106 CYS QB 1 1
2 1 2 1 1 11 CYS QB . 111 CYS QB 1 1
3 1 1 1 1 7 SER H . 107 SER HN 1 1
3 1 2 1 1 11 CYS QB . 111 CYS QB 1 1
4 1 1 1 1 11 CYS QB . 111 CYS QB 1 1
4 1 2 1 1 16 LYS H . 116 LYS HN 1 1
5 1 1 1 1 12 PHE H . 112 PHE HN 1 1
5 1 2 1 1 15 ASN QB . 115 ASN QB 1 1
6 1 1 1 1 12 PHE QD . 112 PHE QD 1 1
6 1 2 2 2 12 LEU MD1 . 12 LEU QD1 1 1
7 1 1 1 1 15 ASN QB . 115 ASN QB 1 1
7 1 2 1 1 17 PRO HA . 117 PRO HA 1 1
8 1 1 1 1 19 VAL H . 119 VAL HN 1 1
8 1 2 2 2 11 PHE QD . 11 PHE QD 1 1
9 1 1 2 2 1 ALA MB . 1 ALA QB 1 1
9 1 2 2 2 3 GLY H . 3 GLY HN 1 1
10 1 1 2 2 2 VAL MG1 . 2 VAL QG1 1 1
10 1 2 2 2 6 ALA H . 6 ALA HN 1 1
11 1 1 2 2 2 VAL MG1 . 2 VAL QG1 1 1
11 1 2 2 2 6 ALA MB . 6 ALA QB 1 1
12 1 1 2 2 3 GLY H . 3 GLY HN 1 1
12 1 2 2 2 6 ALA MB . 6 ALA QB 1 1
13 1 1 2 2 10 GLY QA . 10 GLY QA 1 1
13 1 2 2 2 19 MET QB . 19 MET QB 1 1
14 1 1 2 2 13 GLY H . 13 GLY HN 1 1
14 1 2 2 2 21 ALA H . 21 ALA HN 1 1
15 1 1 2 2 17 SER QB . 17 SER QB 1 1
15 1 2 2 2 21 ALA MB . 21 ALA QB 1 1
16 1 1 2 2 21 ALA MB . 21 ALA QB 1 1
16 1 2 2 2 23 SER QB . 23 SER QB 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 1 1
2 1 . . . . . . . 4.0 1 1
3 1 . . . . . . . 2.5 1 1
4 1 . . . . . . . 2.7 1 1
5 1 . . . . . . . 2.7 1 1
6 1 . . . . . . . 5.0 1 1
7 1 . . . . . . . 2.7 1 1
8 1 . . . . . . . 5.0 1 1
9 1 . . . . . . . 2.3 1 1
10 1 . . . . . . . 2.3 1 1
11 1 . . . . . . . 1.95 1 1
12 1 . . . . . . . 2.3 1 1
13 1 . . . . . . . 2.0 1 1
14 1 . . . . . . . 2.0 1 1
15 1 . . . . . . . 2.0 1 1
16 1 . . . . . . . 1.55 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 LEU C C -11.420 -6.786 7.862 1.00 . A A . 1 LEU C 1 1
1 2 1 1 1 LEU CA C -12.926 -6.715 7.605 1.00 . A A . 1 LEU CA 1 1
1 3 1 1 1 LEU CB C -13.774 -7.085 8.849 1.00 . A A . 1 LEU CB 1 1
1 4 1 1 1 LEU CD1 C -14.848 -6.808 11.065 1.00 . A A . 1 LEU CD1 1 1
1 5 1 1 1 LEU CD2 C -12.403 -5.986 10.829 1.00 . A A . 1 LEU CD2 1 1
1 6 1 1 1 LEU CG C -13.815 -6.167 10.078 1.00 . A A . 1 LEU CG 1 1
1 7 1 1 1 LEU H1 H -13.227 -7.408 5.669 1.00 . A A . 1 LEU H1 1 1
1 8 1 1 1 LEU H2 H -13.431 -8.632 6.857 1.00 . A A . 1 LEU H2 1 1
1 9 1 1 1 LEU HA H -13.112 -5.654 7.385 1.00 . A A . 1 LEU HA 1 1
1 10 1 1 1 LEU HB2 H -14.762 -7.068 8.458 1.00 . A A . 1 LEU HB2 1 1
1 11 1 1 1 LEU HB3 H -13.435 -8.069 9.193 1.00 . A A . 1 LEU HB3 1 1
1 12 1 1 1 LEU HD11 H -15.797 -6.984 10.681 1.00 . A A . 1 LEU HD11 1 1
1 13 1 1 1 LEU HD12 H -14.509 -7.796 11.398 1.00 . A A . 1 LEU HD12 1 1
1 14 1 1 1 LEU HD13 H -14.902 -6.093 11.856 1.00 . A A . 1 LEU HD13 1 1
1 15 1 1 1 LEU HD21 H -11.651 -5.517 10.179 1.00 . A A . 1 LEU HD21 1 1
1 16 1 1 1 LEU HD22 H -12.640 -5.429 11.740 1.00 . A A . 1 LEU HD22 1 1
1 17 1 1 1 LEU HD23 H -11.997 -6.972 11.128 1.00 . A A . 1 LEU HD23 1 1
1 18 1 1 1 LEU HG H -14.216 -5.178 9.782 1.00 . A A . 1 LEU HG 1 1
1 19 1 1 1 LEU N N -13.317 -7.655 6.604 1.00 . A A . 1 LEU N 1 1
1 20 1 1 1 LEU O O -10.799 -5.814 7.497 1.00 . A A . 1 LEU O 1 1
1 21 1 1 2 GLU C C -8.910 -8.282 6.923 1.00 . A A . 2 GLU C 1 1
1 22 1 1 2 GLU CA C -9.445 -8.071 8.250 1.00 . A A . 2 GLU CA 1 1
1 23 1 1 2 GLU CB C -8.933 -9.214 9.136 1.00 . A A . 2 GLU CB 1 1
1 24 1 1 2 GLU CD C -6.575 -8.129 9.857 1.00 . A A . 2 GLU CD 1 1
1 25 1 1 2 GLU CG C -7.355 -9.312 9.290 1.00 . A A . 2 GLU CG 1 1
1 26 1 1 2 GLU H H -11.393 -8.770 8.607 1.00 . A A . 2 GLU H 1 1
1 27 1 1 2 GLU HA H -9.028 -7.168 8.626 1.00 . A A . 2 GLU HA 1 1
1 28 1 1 2 GLU HB2 H -9.441 -9.038 10.056 1.00 . A A . 2 GLU HB2 1 1
1 29 1 1 2 GLU HB3 H -9.296 -10.195 8.755 1.00 . A A . 2 GLU HB3 1 1
1 30 1 1 2 GLU HE2 H -5.240 -6.743 9.492 1.00 . A A . 2 GLU HE2 1 1
1 31 1 1 2 GLU HG2 H -7.140 -10.162 9.865 1.00 . A A . 2 GLU HG2 1 1
1 32 1 1 2 GLU HG3 H -6.809 -9.444 8.333 1.00 . A A . 2 GLU HG3 1 1
1 33 1 1 2 GLU N N -10.855 -7.952 8.287 1.00 . A A . 2 GLU N 1 1
1 34 1 1 2 GLU O O -7.963 -7.603 6.532 1.00 . A A . 2 GLU O 1 1
1 35 1 1 2 GLU OE1 O -5.664 -7.479 9.056 1.00 . A A . 2 GLU OE1 1 1
1 36 1 1 2 GLU OE2 O -6.851 -7.766 10.997 1.00 . A A . 2 GLU OE2 1 1
1 37 1 1 3 ALA C C -9.185 -8.213 3.848 1.00 . A A . 3 ALA C 1 1
1 38 1 1 3 ALA CA C -9.319 -9.453 4.739 1.00 . A A . 3 ALA CA 1 1
1 39 1 1 3 ALA CB C -10.468 -10.282 4.048 1.00 . A A . 3 ALA CB 1 1
1 40 1 1 3 ALA H H -10.406 -9.562 6.495 1.00 . A A . 3 ALA H 1 1
1 41 1 1 3 ALA HA H -8.410 -10.113 4.709 1.00 . A A . 3 ALA HA 1 1
1 42 1 1 3 ALA HB1 H -11.515 -9.939 4.208 1.00 . A A . 3 ALA HB1 1 1
1 43 1 1 3 ALA HB2 H -10.324 -10.348 2.946 1.00 . A A . 3 ALA HB2 1 1
1 44 1 1 3 ALA HB3 H -10.344 -11.296 4.375 1.00 . A A . 3 ALA HB3 1 1
1 45 1 1 3 ALA N N -9.597 -9.137 6.159 1.00 . A A . 3 ALA N 1 1
1 46 1 1 3 ALA O O -8.223 -7.999 3.142 1.00 . A A . 3 ALA O 1 1
1 47 1 1 4 ILE C C -11.247 -5.063 3.823 1.00 . A A . 4 ILE C 1 1
1 48 1 1 4 ILE CA C -10.309 -6.078 3.192 1.00 . A A . 4 ILE CA 1 1
1 49 1 1 4 ILE CB C -10.551 -6.245 1.694 1.00 . A A . 4 ILE CB 1 1
1 50 1 1 4 ILE CD1 C -10.865 -4.991 -0.607 1.00 . A A . 4 ILE CD1 1 1
1 51 1 1 4 ILE CG1 C -10.362 -4.865 0.904 1.00 . A A . 4 ILE CG1 1 1
1 52 1 1 4 ILE CG2 C -11.793 -7.071 1.310 1.00 . A A . 4 ILE CG2 1 1
1 53 1 1 4 ILE H H -10.974 -7.454 4.645 1.00 . A A . 4 ILE H 1 1
1 54 1 1 4 ILE HA H -9.257 -5.706 3.143 1.00 . A A . 4 ILE HA 1 1
1 55 1 1 4 ILE HB H -9.674 -6.782 1.269 1.00 . A A . 4 ILE HB 1 1
1 56 1 1 4 ILE HD11 H -10.748 -4.092 -1.256 1.00 . A A . 4 ILE HD11 1 1
1 57 1 1 4 ILE HD12 H -10.303 -5.871 -0.982 1.00 . A A . 4 ILE HD12 1 1
1 58 1 1 4 ILE HD13 H -11.948 -5.179 -0.502 1.00 . A A . 4 ILE HD13 1 1
1 59 1 1 4 ILE HG12 H -10.890 -4.040 1.489 1.00 . A A . 4 ILE HG12 1 1
1 60 1 1 4 ILE HG13 H -9.314 -4.512 0.925 1.00 . A A . 4 ILE HG13 1 1
1 61 1 1 4 ILE HG21 H -11.812 -7.504 0.249 1.00 . A A . 4 ILE HG21 1 1
1 62 1 1 4 ILE HG22 H -11.973 -7.899 1.997 1.00 . A A . 4 ILE HG22 1 1
1 63 1 1 4 ILE HG23 H -12.597 -6.425 1.416 1.00 . A A . 4 ILE HG23 1 1
1 64 1 1 4 ILE N N -10.212 -7.318 3.972 1.00 . A A . 4 ILE N 1 1
1 65 1 1 4 ILE O O -12.421 -5.457 3.798 1.00 . A A . 4 ILE O 1 1
1 66 1 1 5 PRO C C -12.625 -2.110 4.222 1.00 . A A . 5 PRO C 1 1
1 67 1 1 5 PRO CA C -11.819 -3.047 5.048 1.00 . A A . 5 PRO CA 1 1
1 68 1 1 5 PRO CB C -10.864 -2.410 6.074 1.00 . A A . 5 PRO CB 1 1
1 69 1 1 5 PRO CD C -9.425 -3.437 4.430 1.00 . A A . 5 PRO CD 1 1
1 70 1 1 5 PRO CG C -9.473 -2.254 5.434 1.00 . A A . 5 PRO CG 1 1
1 71 1 1 5 PRO HA H -12.697 -3.473 5.612 1.00 . A A . 5 PRO HA 1 1
1 72 1 1 5 PRO HB2 H -11.063 -1.483 6.656 1.00 . A A . 5 PRO HB2 1 1
1 73 1 1 5 PRO HB3 H -10.819 -3.199 6.880 1.00 . A A . 5 PRO HB3 1 1
1 74 1 1 5 PRO HD2 H -9.045 -3.274 3.428 1.00 . A A . 5 PRO HD2 1 1
1 75 1 1 5 PRO HD3 H -8.910 -4.198 4.989 1.00 . A A . 5 PRO HD3 1 1
1 76 1 1 5 PRO HG2 H -9.508 -1.333 4.797 1.00 . A A . 5 PRO HG2 1 1
1 77 1 1 5 PRO HG3 H -8.631 -2.164 6.128 1.00 . A A . 5 PRO HG3 1 1
1 78 1 1 5 PRO N N -10.859 -3.882 4.392 1.00 . A A . 5 PRO N 1 1
1 79 1 1 5 PRO O O -12.949 -1.019 4.694 1.00 . A A . 5 PRO O 1 1
1 80 1 1 6 CYS C C -14.185 -2.014 0.811 1.00 . A A . 6 CYS C 1 1
1 81 1 1 6 CYS CA C -13.546 -1.380 2.050 1.00 . A A . 6 CYS CA 1 1
1 82 1 1 6 CYS CB C -12.303 -0.538 1.588 1.00 . A A . 6 CYS CB 1 1
1 83 1 1 6 CYS H H -12.652 -3.347 2.511 1.00 . A A . 6 CYS H 1 1
1 84 1 1 6 CYS HA H -14.364 -0.799 2.553 1.00 . A A . 6 CYS HA 1 1
1 85 1 1 6 CYS HB2 H -11.532 -1.281 1.250 1.00 . A A . 6 CYS HB2 1 1
1 86 1 1 6 CYS HB3 H -12.606 0.085 0.748 1.00 . A A . 6 CYS HB3 1 1
1 87 1 1 6 CYS N N -13.014 -2.460 2.950 1.00 . A A . 6 CYS N 1 1
1 88 1 1 6 CYS O O -15.379 -2.233 0.992 1.00 . A A . 6 CYS O 1 1
1 89 1 1 6 CYS SG S -11.392 0.420 2.793 1.00 . A A . 6 CYS SG 1 1
1 90 1 1 7 SER C C -14.568 -1.518 -2.394 1.00 . A A . 7 SER C 1 1
1 91 1 1 7 SER CA C -14.184 -2.710 -1.546 1.00 . A A . 7 SER CA 1 1
1 92 1 1 7 SER CB C -15.210 -3.864 -1.304 1.00 . A A . 7 SER CB 1 1
1 93 1 1 7 SER H H -12.534 -2.089 -0.434 1.00 . A A . 7 SER H 1 1
1 94 1 1 7 SER HA H -13.479 -3.316 -2.143 1.00 . A A . 7 SER HA 1 1
1 95 1 1 7 SER HB2 H -16.174 -3.426 -0.870 1.00 . A A . 7 SER HB2 1 1
1 96 1 1 7 SER HB3 H -15.573 -4.332 -2.188 1.00 . A A . 7 SER HB3 1 1
1 97 1 1 7 SER HG H -14.316 -4.646 0.280 1.00 . A A . 7 SER HG 1 1
1 98 1 1 7 SER N N -13.504 -2.242 -0.353 1.00 . A A . 7 SER N 1 1
1 99 1 1 7 SER O O -14.357 -1.520 -3.626 1.00 . A A . 7 SER O 1 1
1 100 1 1 7 SER OG O -14.475 -4.859 -0.618 1.00 . A A . 7 SER OG 1 1
1 101 1 1 8 ILE C C -14.444 1.725 -2.583 1.00 . A A . 8 ILE C 1 1
1 102 1 1 8 ILE CA C -15.548 0.684 -2.651 1.00 . A A . 8 ILE CA 1 1
1 103 1 1 8 ILE CB C -16.941 1.023 -2.174 1.00 . A A . 8 ILE CB 1 1
1 104 1 1 8 ILE CD1 C -19.296 -0.128 -1.808 1.00 . A A . 8 ILE CD1 1 1
1 105 1 1 8 ILE CG1 C -17.975 -0.161 -2.514 1.00 . A A . 8 ILE CG1 1 1
1 106 1 1 8 ILE CG2 C -17.579 2.338 -2.774 1.00 . A A . 8 ILE CG2 1 1
1 107 1 1 8 ILE H H -15.258 -0.408 -0.871 1.00 . A A . 8 ILE H 1 1
1 108 1 1 8 ILE HA H -15.712 0.488 -3.680 1.00 . A A . 8 ILE HA 1 1
1 109 1 1 8 ILE HB H -16.986 1.207 -1.067 1.00 . A A . 8 ILE HB 1 1
1 110 1 1 8 ILE HD11 H -19.202 -0.360 -0.767 1.00 . A A . 8 ILE HD11 1 1
1 111 1 1 8 ILE HD12 H -19.823 0.770 -1.970 1.00 . A A . 8 ILE HD12 1 1
1 112 1 1 8 ILE HD13 H -19.807 -0.935 -2.231 1.00 . A A . 8 ILE HD13 1 1
1 113 1 1 8 ILE HG12 H -18.090 -0.274 -3.606 1.00 . A A . 8 ILE HG12 1 1
1 114 1 1 8 ILE HG13 H -17.524 -1.139 -2.213 1.00 . A A . 8 ILE HG13 1 1
1 115 1 1 8 ILE HG21 H -16.911 3.141 -2.412 1.00 . A A . 8 ILE HG21 1 1
1 116 1 1 8 ILE HG22 H -17.553 2.341 -3.808 1.00 . A A . 8 ILE HG22 1 1
1 117 1 1 8 ILE HG23 H -18.596 2.590 -2.436 1.00 . A A . 8 ILE HG23 1 1
1 118 1 1 8 ILE N N -15.156 -0.462 -1.864 1.00 . A A . 8 ILE N 1 1
1 119 1 1 8 ILE O O -13.772 1.775 -3.583 1.00 . A A . 8 ILE O 1 1
1 120 1 1 9 PRO C C -11.871 3.208 -2.219 1.00 . A A . 9 PRO C 1 1
1 121 1 1 9 PRO CA C -13.235 3.743 -1.878 1.00 . A A . 9 PRO CA 1 1
1 122 1 1 9 PRO CB C -13.406 4.508 -0.553 1.00 . A A . 9 PRO CB 1 1
1 123 1 1 9 PRO CD C -14.700 2.503 -0.272 1.00 . A A . 9 PRO CD 1 1
1 124 1 1 9 PRO CG C -13.622 3.350 0.400 1.00 . A A . 9 PRO CG 1 1
1 125 1 1 9 PRO HA H -13.612 4.338 -2.703 1.00 . A A . 9 PRO HA 1 1
1 126 1 1 9 PRO HB2 H -12.513 5.108 -0.150 1.00 . A A . 9 PRO HB2 1 1
1 127 1 1 9 PRO HB3 H -14.292 5.246 -0.533 1.00 . A A . 9 PRO HB3 1 1
1 128 1 1 9 PRO HD2 H -14.686 1.465 0.060 1.00 . A A . 9 PRO HD2 1 1
1 129 1 1 9 PRO HD3 H -15.722 2.938 -0.235 1.00 . A A . 9 PRO HD3 1 1
1 130 1 1 9 PRO HG2 H -12.711 2.854 0.586 1.00 . A A . 9 PRO HG2 1 1
1 131 1 1 9 PRO HG3 H -14.101 3.750 1.315 1.00 . A A . 9 PRO HG3 1 1
1 132 1 1 9 PRO N N -14.208 2.641 -1.615 1.00 . A A . 9 PRO N 1 1
1 133 1 1 9 PRO O O -11.556 2.060 -1.919 1.00 . A A . 9 PRO O 1 1
1 134 1 1 10 PRO C C -8.884 2.869 -2.005 1.00 . A A . 10 PRO C 1 1
1 135 1 1 10 PRO CA C -9.649 3.365 -3.211 1.00 . A A . 10 PRO CA 1 1
1 136 1 1 10 PRO CB C -8.882 4.590 -3.786 1.00 . A A . 10 PRO CB 1 1
1 137 1 1 10 PRO CD C -11.126 5.339 -3.054 1.00 . A A . 10 PRO CD 1 1
1 138 1 1 10 PRO CG C -9.661 5.851 -3.279 1.00 . A A . 10 PRO CG 1 1
1 139 1 1 10 PRO HA H -9.775 2.570 -4.013 1.00 . A A . 10 PRO HA 1 1
1 140 1 1 10 PRO HB2 H -7.817 4.539 -3.653 1.00 . A A . 10 PRO HB2 1 1
1 141 1 1 10 PRO HB3 H -9.062 4.474 -4.841 1.00 . A A . 10 PRO HB3 1 1
1 142 1 1 10 PRO HD2 H -11.734 5.944 -2.371 1.00 . A A . 10 PRO HD2 1 1
1 143 1 1 10 PRO HD3 H -11.707 5.450 -4.005 1.00 . A A . 10 PRO HD3 1 1
1 144 1 1 10 PRO HG2 H -9.258 6.324 -2.301 1.00 . A A . 10 PRO HG2 1 1
1 145 1 1 10 PRO HG3 H -9.471 6.751 -4.014 1.00 . A A . 10 PRO HG3 1 1
1 146 1 1 10 PRO N N -10.895 3.925 -2.827 1.00 . A A . 10 PRO N 1 1
1 147 1 1 10 PRO O O -8.300 3.721 -1.347 1.00 . A A . 10 PRO O 1 1
1 148 1 1 11 CYS C C -7.386 -0.157 -0.869 1.00 . A A . 11 CYS C 1 1
1 149 1 1 11 CYS CA C -8.361 0.921 -0.426 1.00 . A A . 11 CYS CA 1 1
1 150 1 1 11 CYS CB C -9.454 0.261 0.505 1.00 . A A . 11 CYS CB 1 1
1 151 1 1 11 CYS H H -9.595 0.905 -2.104 1.00 . A A . 11 CYS H 1 1
1 152 1 1 11 CYS HA H -7.983 1.721 0.260 1.00 . A A . 11 CYS HA 1 1
1 153 1 1 11 CYS HB2 H -10.046 -0.468 -0.095 1.00 . A A . 11 CYS HB2 1 1
1 154 1 1 11 CYS HB3 H -8.902 -0.317 1.257 1.00 . A A . 11 CYS HB3 1 1
1 155 1 1 11 CYS N N -8.968 1.557 -1.622 1.00 . A A . 11 CYS N 1 1
1 156 1 1 11 CYS O O -7.562 -0.571 -2.003 1.00 . A A . 11 CYS O 1 1
1 157 1 1 11 CYS SG S -10.316 1.527 1.469 1.00 . A A . 11 CYS SG 1 1
1 158 1 1 12 PHE C C -5.092 -2.388 0.707 1.00 . A A . 12 PHE C 1 1
1 159 1 1 12 PHE CA C -5.465 -1.596 -0.517 1.00 . A A . 12 PHE CA 1 1
1 160 1 1 12 PHE CB C -4.255 -0.913 -1.242 1.00 . A A . 12 PHE CB 1 1
1 161 1 1 12 PHE CD1 C -4.959 -0.894 -3.678 1.00 . A A . 12 PHE CD1 1 1
1 162 1 1 12 PHE CD2 C -5.047 1.183 -2.547 1.00 . A A . 12 PHE CD2 1 1
1 163 1 1 12 PHE CE1 C -5.424 -0.261 -4.853 1.00 . A A . 12 PHE CE1 1 1
1 164 1 1 12 PHE CE2 C -5.429 1.860 -3.715 1.00 . A A . 12 PHE CE2 1 1
1 165 1 1 12 PHE CG C -4.768 -0.194 -2.506 1.00 . A A . 12 PHE CG 1 1
1 166 1 1 12 PHE CZ C -5.716 1.068 -4.823 1.00 . A A . 12 PHE CZ 1 1
1 167 1 1 12 PHE H H -6.139 -0.102 0.830 1.00 . A A . 12 PHE H 1 1
1 168 1 1 12 PHE HA H -6.095 -2.183 -1.224 1.00 . A A . 12 PHE HA 1 1
1 169 1 1 12 PHE HB2 H -3.747 -0.166 -0.671 1.00 . A A . 12 PHE HB2 1 1
1 170 1 1 12 PHE HB3 H -3.429 -1.698 -1.465 1.00 . A A . 12 PHE HB3 1 1
1 171 1 1 12 PHE HD1 H -4.742 -1.960 -3.856 1.00 . A A . 12 PHE HD1 1 1
1 172 1 1 12 PHE HD2 H -4.977 1.782 -1.527 1.00 . A A . 12 PHE HD2 1 1
1 173 1 1 12 PHE HE1 H -5.644 -0.764 -5.761 1.00 . A A . 12 PHE HE1 1 1
1 174 1 1 12 PHE HE2 H -5.573 2.897 -3.767 1.00 . A A . 12 PHE HE2 1 1
1 175 1 1 12 PHE HZ H -6.221 1.548 -5.750 1.00 . A A . 12 PHE HZ 1 1
1 176 1 1 12 PHE N N -6.380 -0.614 -0.037 1.00 . A A . 12 PHE N 1 1
1 177 1 1 12 PHE O O -3.895 -2.497 0.901 1.00 . A A . 12 PHE O 1 1
1 178 1 1 13 ALA C C -5.783 -3.176 3.965 1.00 . A A . 13 ALA C 1 1
1 179 1 1 13 ALA CA C -5.750 -3.907 2.636 1.00 . A A . 13 ALA CA 1 1
1 180 1 1 13 ALA CB C -4.529 -4.808 2.431 1.00 . A A . 13 ALA CB 1 1
1 181 1 1 13 ALA H H -7.067 -2.878 1.177 1.00 . A A . 13 ALA H 1 1
1 182 1 1 13 ALA HA H -6.591 -4.587 2.589 1.00 . A A . 13 ALA HA 1 1
1 183 1 1 13 ALA HB1 H -4.761 -5.728 3.008 1.00 . A A . 13 ALA HB1 1 1
1 184 1 1 13 ALA HB2 H -4.461 -4.994 1.316 1.00 . A A . 13 ALA HB2 1 1
1 185 1 1 13 ALA HB3 H -3.628 -4.321 2.755 1.00 . A A . 13 ALA HB3 1 1
1 186 1 1 13 ALA N N -6.082 -3.030 1.397 1.00 . A A . 13 ALA N 1 1
1 187 1 1 13 ALA O O -6.490 -3.566 4.832 1.00 . A A . 13 ALA O 1 1
1 188 1 1 14 PHE C C -5.125 0.268 5.253 1.00 . A A . 14 PHE C 1 1
1 189 1 1 14 PHE CA C -5.180 -1.288 5.441 1.00 . A A . 14 PHE CA 1 1
1 190 1 1 14 PHE CB C -4.169 -1.851 6.492 1.00 . A A . 14 PHE CB 1 1
1 191 1 1 14 PHE CD1 C -5.373 -3.892 7.222 1.00 . A A . 14 PHE CD1 1 1
1 192 1 1 14 PHE CD2 C -3.333 -4.236 6.043 1.00 . A A . 14 PHE CD2 1 1
1 193 1 1 14 PHE CE1 C -5.689 -5.244 7.215 1.00 . A A . 14 PHE CE1 1 1
1 194 1 1 14 PHE CE2 C -3.409 -5.603 6.293 1.00 . A A . 14 PHE CE2 1 1
1 195 1 1 14 PHE CG C -4.269 -3.380 6.545 1.00 . A A . 14 PHE CG 1 1
1 196 1 1 14 PHE CZ C -4.689 -6.098 6.658 1.00 . A A . 14 PHE CZ 1 1
1 197 1 1 14 PHE H H -4.615 -1.574 3.427 1.00 . A A . 14 PHE H 1 1
1 198 1 1 14 PHE HA H -6.185 -1.345 6.008 1.00 . A A . 14 PHE HA 1 1
1 199 1 1 14 PHE HB2 H -3.110 -1.632 6.213 1.00 . A A . 14 PHE HB2 1 1
1 200 1 1 14 PHE HB3 H -4.235 -1.432 7.468 1.00 . A A . 14 PHE HB3 1 1
1 201 1 1 14 PHE HD1 H -5.907 -3.195 7.904 1.00 . A A . 14 PHE HD1 1 1
1 202 1 1 14 PHE HD2 H -2.470 -3.879 5.542 1.00 . A A . 14 PHE HD2 1 1
1 203 1 1 14 PHE HE1 H -6.635 -5.591 7.606 1.00 . A A . 14 PHE HE1 1 1
1 204 1 1 14 PHE HE2 H -2.575 -6.292 6.086 1.00 . A A . 14 PHE HE2 1 1
1 205 1 1 14 PHE HZ H -4.951 -7.141 6.514 1.00 . A A . 14 PHE HZ 1 1
1 206 1 1 14 PHE N N -5.184 -1.978 4.127 1.00 . A A . 14 PHE N 1 1
1 207 1 1 14 PHE O O -4.423 0.829 6.027 1.00 . A A . 14 PHE O 1 1
1 208 1 1 15 ASN C C -7.147 2.749 4.800 1.00 . A A . 15 ASN C 1 1
1 209 1 1 15 ASN CA C -5.835 2.349 4.158 1.00 . A A . 15 ASN CA 1 1
1 210 1 1 15 ASN CB C -5.850 2.821 2.717 1.00 . A A . 15 ASN CB 1 1
1 211 1 1 15 ASN CG C -4.602 2.351 2.077 1.00 . A A . 15 ASN CG 1 1
1 212 1 1 15 ASN H H -6.278 0.437 3.595 1.00 . A A . 15 ASN H 1 1
1 213 1 1 15 ASN HA H -5.049 2.864 4.749 1.00 . A A . 15 ASN HA 1 1
1 214 1 1 15 ASN HB2 H -6.791 2.526 2.224 1.00 . A A . 15 ASN HB2 1 1
1 215 1 1 15 ASN HB3 H -5.878 3.844 2.703 1.00 . A A . 15 ASN HB3 1 1
1 216 1 1 15 ASN HD21 H -3.496 3.836 3.051 1.00 . A A . 15 ASN HD21 1 1
1 217 1 1 15 ASN HD22 H -2.558 2.734 2.262 1.00 . A A . 15 ASN HD22 1 1
1 218 1 1 15 ASN N N -5.819 0.913 4.266 1.00 . A A . 15 ASN N 1 1
1 219 1 1 15 ASN ND2 N -3.489 3.041 2.464 1.00 . A A . 15 ASN ND2 1 1
1 220 1 1 15 ASN O O -7.033 3.505 5.764 1.00 . A A . 15 ASN O 1 1
1 221 1 1 15 ASN OD1 O -4.576 1.423 1.293 1.00 . A A . 15 ASN OD1 1 1
1 222 1 1 16 LYS C C -9.376 4.647 4.768 1.00 . A A . 16 LYS C 1 1
1 223 1 1 16 LYS CA C -9.658 3.102 4.741 1.00 . A A . 16 LYS CA 1 1
1 224 1 1 16 LYS CB C -10.099 2.458 6.091 1.00 . A A . 16 LYS CB 1 1
1 225 1 1 16 LYS CD C -12.718 2.264 6.025 1.00 . A A . 16 LYS CD 1 1
1 226 1 1 16 LYS CE C -14.103 2.769 6.573 1.00 . A A . 16 LYS CE 1 1
1 227 1 1 16 LYS CG C -11.475 2.990 6.708 1.00 . A A . 16 LYS CG 1 1
1 228 1 1 16 LYS H H -8.480 1.794 3.545 1.00 . A A . 16 LYS H 1 1
1 229 1 1 16 LYS HA H -10.539 2.986 4.071 1.00 . A A . 16 LYS HA 1 1
1 230 1 1 16 LYS HB2 H -10.098 1.305 6.023 1.00 . A A . 16 LYS HB2 1 1
1 231 1 1 16 LYS HB3 H -9.322 2.692 6.763 1.00 . A A . 16 LYS HB3 1 1
1 232 1 1 16 LYS HD2 H -12.707 2.380 4.920 1.00 . A A . 16 LYS HD2 1 1
1 233 1 1 16 LYS HD3 H -12.744 1.155 6.277 1.00 . A A . 16 LYS HD3 1 1
1 234 1 1 16 LYS HE2 H -14.155 2.440 7.651 1.00 . A A . 16 LYS HE2 1 1
1 235 1 1 16 LYS HE3 H -14.220 3.809 6.527 1.00 . A A . 16 LYS HE3 1 1
1 236 1 1 16 LYS HG2 H -11.570 2.788 7.782 1.00 . A A . 16 LYS HG2 1 1
1 237 1 1 16 LYS HG3 H -11.626 4.043 6.549 1.00 . A A . 16 LYS HG3 1 1
1 238 1 1 16 LYS HZ1 H -16.058 2.272 5.982 1.00 . A A . 16 LYS HZ1 1 1
1 239 1 1 16 LYS HZ2 H -15.184 2.125 4.644 1.00 . A A . 16 LYS HZ2 1 1
1 240 1 1 16 LYS HZ3 H -15.146 0.948 5.918 1.00 . A A . 16 LYS HZ3 1 1
1 241 1 1 16 LYS N N -8.451 2.439 4.317 1.00 . A A . 16 LYS N 1 1
1 242 1 1 16 LYS NZ N -15.106 2.022 5.815 1.00 . A A . 16 LYS NZ 1 1
1 243 1 1 16 LYS O O -9.073 5.065 5.848 1.00 . A A . 16 LYS O 1 1
1 244 1 1 17 PRO C C -8.754 7.683 4.769 1.00 . A A . 17 PRO C 1 1
1 245 1 1 17 PRO CA C -8.459 6.644 3.732 1.00 . A A . 17 PRO CA 1 1
1 246 1 1 17 PRO CB C -8.807 7.196 2.304 1.00 . A A . 17 PRO CB 1 1
1 247 1 1 17 PRO CD C -9.542 4.872 2.313 1.00 . A A . 17 PRO CD 1 1
1 248 1 1 17 PRO CG C -8.993 5.963 1.378 1.00 . A A . 17 PRO CG 1 1
1 249 1 1 17 PRO HA H -7.409 6.287 3.679 1.00 . A A . 17 PRO HA 1 1
1 250 1 1 17 PRO HB2 H -9.791 7.641 2.495 1.00 . A A . 17 PRO HB2 1 1
1 251 1 1 17 PRO HB3 H -8.107 7.995 1.944 1.00 . A A . 17 PRO HB3 1 1
1 252 1 1 17 PRO HD2 H -10.595 5.027 2.248 1.00 . A A . 17 PRO HD2 1 1
1 253 1 1 17 PRO HD3 H -9.321 3.867 1.921 1.00 . A A . 17 PRO HD3 1 1
1 254 1 1 17 PRO HG2 H -9.595 6.086 0.455 1.00 . A A . 17 PRO HG2 1 1
1 255 1 1 17 PRO HG3 H -8.012 5.694 0.983 1.00 . A A . 17 PRO HG3 1 1
1 256 1 1 17 PRO N N -9.227 5.369 3.623 1.00 . A A . 17 PRO N 1 1
1 257 1 1 17 PRO O O -9.923 7.772 5.107 1.00 . A A . 17 PRO O 1 1
1 258 1 1 18 PHE C C -7.175 10.578 5.935 1.00 . A A . 18 PHE C 1 1
1 259 1 1 18 PHE CA C -8.290 9.606 6.092 1.00 . A A . 18 PHE CA 1 1
1 260 1 1 18 PHE CB C -8.267 9.162 7.584 1.00 . A A . 18 PHE CB 1 1
1 261 1 1 18 PHE CD1 C -10.700 8.426 7.727 1.00 . A A . 18 PHE CD1 1 1
1 262 1 1 18 PHE CD2 C -9.034 6.872 8.517 1.00 . A A . 18 PHE CD2 1 1
1 263 1 1 18 PHE CE1 C -11.669 7.408 7.732 1.00 . A A . 18 PHE CE1 1 1
1 264 1 1 18 PHE CE2 C -10.006 5.925 8.574 1.00 . A A . 18 PHE CE2 1 1
1 265 1 1 18 PHE CG C -9.370 8.080 7.903 1.00 . A A . 18 PHE CG 1 1
1 266 1 1 18 PHE CZ C -11.332 6.162 8.208 1.00 . A A . 18 PHE CZ 1 1
1 267 1 1 18 PHE H H -6.850 8.313 5.170 1.00 . A A . 18 PHE H 1 1
1 268 1 1 18 PHE HA H -9.287 9.992 5.975 1.00 . A A . 18 PHE HA 1 1
1 269 1 1 18 PHE HB2 H -7.317 8.560 7.867 1.00 . A A . 18 PHE HB2 1 1
1 270 1 1 18 PHE HB3 H -8.544 9.854 8.391 1.00 . A A . 18 PHE HB3 1 1
1 271 1 1 18 PHE HD1 H -11.074 9.457 7.575 1.00 . A A . 18 PHE HD1 1 1
1 272 1 1 18 PHE HD2 H -8.043 6.599 8.896 1.00 . A A . 18 PHE HD2 1 1
1 273 1 1 18 PHE HE1 H -12.703 7.615 7.385 1.00 . A A . 18 PHE HE1 1 1
1 274 1 1 18 PHE HE2 H -9.700 4.959 8.982 1.00 . A A . 18 PHE HE2 1 1
1 275 1 1 18 PHE HZ H -12.083 5.399 8.308 1.00 . A A . 18 PHE HZ 1 1
1 276 1 1 18 PHE N N -7.811 8.521 5.261 1.00 . A A . 18 PHE N 1 1
1 277 1 1 18 PHE O O -6.309 10.630 6.758 1.00 . A A . 18 PHE O 1 1
1 278 1 1 19 VAL C C -7.734 11.590 2.366 1.00 . A A . 19 VAL C 1 1
1 279 1 1 19 VAL CA C -8.238 11.312 3.776 1.00 . A A . 19 VAL CA 1 1
1 280 1 1 19 VAL CB C -9.129 12.585 3.955 1.00 . A A . 19 VAL CB 1 1
1 281 1 1 19 VAL CG1 C -10.397 12.508 3.094 1.00 . A A . 19 VAL CG1 1 1
1 282 1 1 19 VAL CG2 C -9.662 12.815 5.461 1.00 . A A . 19 VAL CG2 1 1
1 283 1 1 19 VAL H H -6.516 12.048 4.592 1.00 . A A . 19 VAL H 1 1
1 284 1 1 19 VAL HA H -8.796 10.392 3.690 1.00 . A A . 19 VAL HA 1 1
1 285 1 1 19 VAL HB H -8.481 13.543 3.836 1.00 . A A . 19 VAL HB 1 1
1 286 1 1 19 VAL HG11 H -10.983 13.458 3.275 1.00 . A A . 19 VAL HG11 1 1
1 287 1 1 19 VAL HG12 H -10.282 12.514 2.033 1.00 . A A . 19 VAL HG12 1 1
1 288 1 1 19 VAL HG13 H -10.928 11.638 3.365 1.00 . A A . 19 VAL HG13 1 1
1 289 1 1 19 VAL HG21 H -10.289 13.659 5.567 1.00 . A A . 19 VAL HG21 1 1
1 290 1 1 19 VAL HG22 H -10.182 11.970 5.918 1.00 . A A . 19 VAL HG22 1 1
1 291 1 1 19 VAL HG23 H -8.826 12.969 6.112 1.00 . A A . 19 VAL HG23 1 1
1 292 1 1 19 VAL N N -7.202 11.380 4.808 1.00 . A A . 19 VAL N 1 1
1 293 1 1 19 VAL O O -6.763 12.337 2.220 1.00 . A A . 19 VAL O 1 1
1 294 1 1 20 PHE C C -8.866 10.538 -1.088 1.00 . A A . 20 PHE C 1 1
1 295 1 1 20 PHE CA C -7.843 11.067 -0.014 1.00 . A A . 20 PHE CA 1 1
1 296 1 1 20 PHE CB C -6.612 10.181 -0.096 1.00 . A A . 20 PHE CB 1 1
1 297 1 1 20 PHE CD1 C -4.657 11.546 -1.096 1.00 . A A . 20 PHE CD1 1 1
1 298 1 1 20 PHE CD2 C -5.770 9.896 -2.486 1.00 . A A . 20 PHE CD2 1 1
1 299 1 1 20 PHE CE1 C -3.758 11.771 -2.131 1.00 . A A . 20 PHE CE1 1 1
1 300 1 1 20 PHE CE2 C -4.923 10.283 -3.534 1.00 . A A . 20 PHE CE2 1 1
1 301 1 1 20 PHE CG C -5.671 10.573 -1.267 1.00 . A A . 20 PHE CG 1 1
1 302 1 1 20 PHE CZ C -3.844 11.162 -3.367 1.00 . A A . 20 PHE CZ 1 1
1 303 1 1 20 PHE H H -9.177 10.477 1.439 1.00 . A A . 20 PHE H 1 1
1 304 1 1 20 PHE HXT H -9.484 8.893 -1.902 1.00 . A A . 20 PHE HXT 1 1
1 305 1 1 20 PHE HA H -7.502 12.114 -0.256 1.00 . A A . 20 PHE HA 1 1
1 306 1 1 20 PHE HB2 H -5.949 10.286 0.797 1.00 . A A . 20 PHE HB2 1 1
1 307 1 1 20 PHE HB3 H -6.972 9.179 -0.150 1.00 . A A . 20 PHE HB3 1 1
1 308 1 1 20 PHE HD1 H -4.567 12.081 -0.162 1.00 . A A . 20 PHE HD1 1 1
1 309 1 1 20 PHE HD2 H -6.425 9.017 -2.553 1.00 . A A . 20 PHE HD2 1 1
1 310 1 1 20 PHE HE1 H -3.007 12.536 -2.007 1.00 . A A . 20 PHE HE1 1 1
1 311 1 1 20 PHE HE2 H -5.024 9.865 -4.555 1.00 . A A . 20 PHE HE2 1 1
1 312 1 1 20 PHE HZ H -3.209 11.285 -4.204 1.00 . A A . 20 PHE HZ 1 1
1 313 1 1 20 PHE N N -8.412 10.996 1.341 1.00 . A A . 20 PHE N 1 1
1 314 1 1 20 PHE O O -9.627 11.260 -1.742 1.00 . A A . 20 PHE O 1 1
1 315 1 1 20 PHE OXT O -8.938 9.250 -1.191 1.00 . A A . 20 PHE OXT 1 1
1 316 2 2 1 ALA C C -0.012 -5.335 12.277 1.00 . B B . 101 ALA C 1 1
1 317 2 2 1 ALA CA C 1.415 -4.804 12.301 1.00 . B B . 101 ALA CA 1 1
1 318 2 2 1 ALA CB C 1.369 -3.370 11.633 1.00 . B B . 101 ALA CB 1 1
1 319 2 2 1 ALA H1 H 2.224 -5.591 10.506 1.00 . B B . 101 ALA H1 1 1
1 320 2 2 1 ALA H2 H 2.466 -6.645 11.815 1.00 . B B . 101 ALA H2 1 1
1 321 2 2 1 ALA HA H 1.822 -4.800 13.424 1.00 . B B . 101 ALA HA 1 1
1 322 2 2 1 ALA HB1 H 1.164 -3.325 10.584 1.00 . B B . 101 ALA HB1 1 1
1 323 2 2 1 ALA HB2 H 0.611 -2.873 12.276 1.00 . B B . 101 ALA HB2 1 1
1 324 2 2 1 ALA HB3 H 2.282 -2.850 11.764 1.00 . B B . 101 ALA HB3 1 1
1 325 2 2 1 ALA N N 2.120 -5.774 11.474 1.00 . B B . 101 ALA N 1 1
1 326 2 2 1 ALA O O -0.316 -5.986 11.279 1.00 . B B . 101 ALA O 1 1
1 327 2 2 2 VAL C C -2.800 -5.284 12.027 1.00 . B B . 102 VAL C 1 1
1 328 2 2 2 VAL CA C -2.182 -5.731 13.291 1.00 . B B . 102 VAL CA 1 1
1 329 2 2 2 VAL CB C -3.170 -5.518 14.487 1.00 . B B . 102 VAL CB 1 1
1 330 2 2 2 VAL CG1 C -3.525 -4.057 14.751 1.00 . B B . 102 VAL CG1 1 1
1 331 2 2 2 VAL CG2 C -4.382 -6.458 14.363 1.00 . B B . 102 VAL CG2 1 1
1 332 2 2 2 VAL H H -0.485 -4.558 14.150 1.00 . B B . 102 VAL H 1 1
1 333 2 2 2 VAL HA H -2.005 -6.819 13.192 1.00 . B B . 102 VAL HA 1 1
1 334 2 2 2 VAL HB H -2.690 -5.823 15.402 1.00 . B B . 102 VAL HB 1 1
1 335 2 2 2 VAL HG11 H -2.620 -3.509 14.952 1.00 . B B . 102 VAL HG11 1 1
1 336 2 2 2 VAL HG12 H -4.011 -3.727 13.857 1.00 . B B . 102 VAL HG12 1 1
1 337 2 2 2 VAL HG13 H -4.184 -3.955 15.596 1.00 . B B . 102 VAL HG13 1 1
1 338 2 2 2 VAL HG21 H -5.234 -6.054 13.848 1.00 . B B . 102 VAL HG21 1 1
1 339 2 2 2 VAL HG22 H -4.177 -7.415 13.898 1.00 . B B . 102 VAL HG22 1 1
1 340 2 2 2 VAL HG23 H -4.804 -6.634 15.349 1.00 . B B . 102 VAL HG23 1 1
1 341 2 2 2 VAL N N -0.833 -5.121 13.312 1.00 . B B . 102 VAL N 1 1
1 342 2 2 2 VAL O O -3.377 -5.990 11.261 1.00 . B B . 102 VAL O 1 1
1 343 2 2 3 GLY C C -3.827 -1.839 10.854 1.00 . B B . 103 GLY C 1 1
1 344 2 2 3 GLY CA C -3.498 -3.356 10.643 1.00 . B B . 103 GLY CA 1 1
1 345 2 2 3 GLY H H -2.027 -3.530 12.309 1.00 . B B . 103 GLY H 1 1
1 346 2 2 3 GLY HA2 H -2.792 -3.479 9.803 1.00 . B B . 103 GLY HA2 1 1
1 347 2 2 3 GLY HA3 H -4.430 -3.900 10.642 1.00 . B B . 103 GLY HA3 1 1
1 348 2 2 3 GLY N N -2.739 -4.022 11.738 1.00 . B B . 103 GLY N 1 1
1 349 2 2 3 GLY O O -2.864 -1.086 10.946 1.00 . B B . 103 GLY O 1 1
1 350 2 2 4 ILE C C -5.223 0.001 12.802 1.00 . B B . 104 ILE C 1 1
1 351 2 2 4 ILE CA C -5.345 -0.009 11.316 1.00 . B B . 104 ILE CA 1 1
1 352 2 2 4 ILE CB C -6.770 0.490 10.880 1.00 . B B . 104 ILE CB 1 1
1 353 2 2 4 ILE CD1 C -6.310 1.266 8.500 1.00 . B B . 104 ILE CD1 1 1
1 354 2 2 4 ILE CG1 C -7.068 0.310 9.339 1.00 . B B . 104 ILE CG1 1 1
1 355 2 2 4 ILE CG2 C -6.906 1.914 11.398 1.00 . B B . 104 ILE CG2 1 1
1 356 2 2 4 ILE H H -5.874 -2.042 10.867 1.00 . B B . 104 ILE H 1 1
1 357 2 2 4 ILE HA H -4.620 0.639 10.778 1.00 . B B . 104 ILE HA 1 1
1 358 2 2 4 ILE HB H -7.563 -0.105 11.352 1.00 . B B . 104 ILE HB 1 1
1 359 2 2 4 ILE HD11 H -6.685 1.044 7.474 1.00 . B B . 104 ILE HD11 1 1
1 360 2 2 4 ILE HD12 H -6.374 2.342 8.711 1.00 . B B . 104 ILE HD12 1 1
1 361 2 2 4 ILE HD13 H -5.290 0.943 8.500 1.00 . B B . 104 ILE HD13 1 1
1 362 2 2 4 ILE HG12 H -6.943 -0.740 8.994 1.00 . B B . 104 ILE HG12 1 1
1 363 2 2 4 ILE HG13 H -8.184 0.630 9.142 1.00 . B B . 104 ILE HG13 1 1
1 364 2 2 4 ILE HG21 H -7.787 2.330 10.961 1.00 . B B . 104 ILE HG21 1 1
1 365 2 2 4 ILE HG22 H -7.130 1.982 12.500 1.00 . B B . 104 ILE HG22 1 1
1 366 2 2 4 ILE HG23 H -6.093 2.628 11.116 1.00 . B B . 104 ILE HG23 1 1
1 367 2 2 4 ILE N N -5.099 -1.387 10.901 1.00 . B B . 104 ILE N 1 1
1 368 2 2 4 ILE O O -5.633 -0.931 13.515 1.00 . B B . 104 ILE O 1 1
1 369 2 2 5 GLY C C -3.322 1.107 15.317 1.00 . B B . 105 GLY C 1 1
1 370 2 2 5 GLY CA C -4.757 1.231 14.901 1.00 . B B . 105 GLY CA 1 1
1 371 2 2 5 GLY H H -4.300 1.824 13.036 1.00 . B B . 105 GLY H 1 1
1 372 2 2 5 GLY HA2 H -5.192 2.110 15.290 1.00 . B B . 105 GLY HA2 1 1
1 373 2 2 5 GLY HA3 H -5.270 0.475 15.468 1.00 . B B . 105 GLY HA3 1 1
1 374 2 2 5 GLY N N -4.804 1.105 13.442 1.00 . B B . 105 GLY N 1 1
1 375 2 2 5 GLY O O -2.846 2.185 15.630 1.00 . B B . 105 GLY O 1 1
1 376 2 2 6 ALA C C -0.729 0.922 14.314 1.00 . B B . 106 ALA C 1 1
1 377 2 2 6 ALA CA C -1.271 -0.091 15.291 1.00 . B B . 106 ALA CA 1 1
1 378 2 2 6 ALA CB C -0.552 -1.410 15.071 1.00 . B B . 106 ALA CB 1 1
1 379 2 2 6 ALA H H -3.214 -0.820 14.716 1.00 . B B . 106 ALA H 1 1
1 380 2 2 6 ALA HA H -1.021 0.243 16.288 1.00 . B B . 106 ALA HA 1 1
1 381 2 2 6 ALA HB1 H -0.762 -1.872 14.122 1.00 . B B . 106 ALA HB1 1 1
1 382 2 2 6 ALA HB2 H 0.531 -1.156 15.053 1.00 . B B . 106 ALA HB2 1 1
1 383 2 2 6 ALA HB3 H -0.795 -2.160 15.893 1.00 . B B . 106 ALA HB3 1 1
1 384 2 2 6 ALA N N -2.666 -0.083 15.085 1.00 . B B . 106 ALA N 1 1
1 385 2 2 6 ALA O O 0.122 1.733 14.666 1.00 . B B . 106 ALA O 1 1
1 386 2 2 7 LEU C C -1.805 3.000 12.040 1.00 . B B . 107 LEU C 1 1
1 387 2 2 7 LEU CA C -0.818 1.827 11.977 1.00 . B B . 107 LEU CA 1 1
1 388 2 2 7 LEU CB C -0.956 1.376 10.501 1.00 . B B . 107 LEU CB 1 1
1 389 2 2 7 LEU CD1 C -0.507 -0.471 8.736 1.00 . B B . 107 LEU CD1 1 1
1 390 2 2 7 LEU CD2 C 1.462 0.321 10.223 1.00 . B B . 107 LEU CD2 1 1
1 391 2 2 7 LEU CG C -0.127 0.033 10.167 1.00 . B B . 107 LEU CG 1 1
1 392 2 2 7 LEU H H -1.768 0.096 12.751 1.00 . B B . 107 LEU H 1 1
1 393 2 2 7 LEU HA H 0.223 2.166 12.215 1.00 . B B . 107 LEU HA 1 1
1 394 2 2 7 LEU HB2 H -1.987 1.141 10.105 1.00 . B B . 107 LEU HB2 1 1
1 395 2 2 7 LEU HB3 H -0.621 2.206 9.782 1.00 . B B . 107 LEU HB3 1 1
1 396 2 2 7 LEU HD11 H -0.099 0.250 7.980 1.00 . B B . 107 LEU HD11 1 1
1 397 2 2 7 LEU HD12 H 0.019 -1.443 8.595 1.00 . B B . 107 LEU HD12 1 1
1 398 2 2 7 LEU HD13 H -1.525 -0.607 8.500 1.00 . B B . 107 LEU HD13 1 1
1 399 2 2 7 LEU HD21 H 1.956 0.750 9.325 1.00 . B B . 107 LEU HD21 1 1
1 400 2 2 7 LEU HD22 H 1.751 1.007 11.093 1.00 . B B . 107 LEU HD22 1 1
1 401 2 2 7 LEU HD23 H 1.939 -0.647 10.363 1.00 . B B . 107 LEU HD23 1 1
1 402 2 2 7 LEU HG H -0.471 -0.691 10.881 1.00 . B B . 107 LEU HG 1 1
1 403 2 2 7 LEU N N -1.176 0.858 13.046 1.00 . B B . 107 LEU N 1 1
1 404 2 2 7 LEU O O -2.296 3.397 11.027 1.00 . B B . 107 LEU O 1 1
1 405 2 2 8 PHE C C -3.297 5.423 11.982 1.00 . B B . 108 PHE C 1 1
1 406 2 2 8 PHE CA C -2.677 4.923 13.329 1.00 . B B . 108 PHE CA 1 1
1 407 2 2 8 PHE CB C -1.631 5.905 13.871 1.00 . B B . 108 PHE CB 1 1
1 408 2 2 8 PHE CD1 C 0.041 4.596 15.305 1.00 . B B . 108 PHE CD1 1 1
1 409 2 2 8 PHE CD2 C -1.560 5.816 16.466 1.00 . B B . 108 PHE CD2 1 1
1 410 2 2 8 PHE CE1 C 0.603 4.234 16.577 1.00 . B B . 108 PHE CE1 1 1
1 411 2 2 8 PHE CE2 C -0.983 5.660 17.764 1.00 . B B . 108 PHE CE2 1 1
1 412 2 2 8 PHE CG C -1.047 5.445 15.222 1.00 . B B . 108 PHE CG 1 1
1 413 2 2 8 PHE CZ C 0.201 4.893 17.709 1.00 . B B . 108 PHE CZ 1 1
1 414 2 2 8 PHE H H -1.745 3.217 14.090 1.00 . B B . 108 PHE H 1 1
1 415 2 2 8 PHE HA H -3.466 4.914 14.061 1.00 . B B . 108 PHE HA 1 1
1 416 2 2 8 PHE HB2 H -0.697 5.953 13.202 1.00 . B B . 108 PHE HB2 1 1
1 417 2 2 8 PHE HB3 H -1.896 6.963 13.873 1.00 . B B . 108 PHE HB3 1 1
1 418 2 2 8 PHE HD1 H 0.417 4.203 14.351 1.00 . B B . 108 PHE HD1 1 1
1 419 2 2 8 PHE HD2 H -2.546 6.301 16.509 1.00 . B B . 108 PHE HD2 1 1
1 420 2 2 8 PHE HE1 H 1.390 3.529 16.638 1.00 . B B . 108 PHE HE1 1 1
1 421 2 2 8 PHE HE2 H -1.435 6.018 18.713 1.00 . B B . 108 PHE HE2 1 1
1 422 2 2 8 PHE HZ H 0.874 4.811 18.581 1.00 . B B . 108 PHE HZ 1 1
1 423 2 2 8 PHE N N -2.065 3.591 13.230 1.00 . B B . 108 PHE N 1 1
1 424 2 2 8 PHE O O -2.620 6.205 11.306 1.00 . B B . 108 PHE O 1 1
1 425 2 2 9 LEU C C -4.933 4.803 9.363 1.00 . B B . 109 LEU C 1 1
1 426 2 2 9 LEU CA C -5.359 5.550 10.613 1.00 . B B . 109 LEU CA 1 1
1 427 2 2 9 LEU CB C -5.114 7.111 10.399 1.00 . B B . 109 LEU CB 1 1
1 428 2 2 9 LEU CD1 C -7.073 8.071 11.793 1.00 . B B . 109 LEU CD1 1 1
1 429 2 2 9 LEU CD2 C -4.674 8.227 12.773 1.00 . B B . 109 LEU CD2 1 1
1 430 2 2 9 LEU CG C -5.590 8.179 11.469 1.00 . B B . 109 LEU CG 1 1
1 431 2 2 9 LEU H H -5.143 4.584 12.476 1.00 . B B . 109 LEU H 1 1
1 432 2 2 9 LEU HA H -6.486 5.442 10.721 1.00 . B B . 109 LEU HA 1 1
1 433 2 2 9 LEU HB2 H -4.153 7.455 9.940 1.00 . B B . 109 LEU HB2 1 1
1 434 2 2 9 LEU HB3 H -5.767 7.360 9.548 1.00 . B B . 109 LEU HB3 1 1
1 435 2 2 9 LEU HD11 H -7.271 7.119 12.330 1.00 . B B . 109 LEU HD11 1 1
1 436 2 2 9 LEU HD12 H -7.565 8.928 12.468 1.00 . B B . 109 LEU HD12 1 1
1 437 2 2 9 LEU HD13 H -7.656 8.049 10.909 1.00 . B B . 109 LEU HD13 1 1
1 438 2 2 9 LEU HD21 H -4.641 7.184 13.210 1.00 . B B . 109 LEU HD21 1 1
1 439 2 2 9 LEU HD22 H -3.565 8.505 12.558 1.00 . B B . 109 LEU HD22 1 1
1 440 2 2 9 LEU HD23 H -5.079 8.815 13.578 1.00 . B B . 109 LEU HD23 1 1
1 441 2 2 9 LEU HG H -5.389 9.192 11.057 1.00 . B B . 109 LEU HG 1 1
1 442 2 2 9 LEU N N -4.623 5.112 11.800 1.00 . B B . 109 LEU N 1 1
1 443 2 2 9 LEU O O -5.797 4.651 8.551 1.00 . B B . 109 LEU O 1 1
1 444 2 2 10 GLY C C -3.654 4.933 6.833 1.00 . B B . 110 GLY C 1 1
1 445 2 2 10 GLY CA C -3.505 3.792 7.720 1.00 . B B . 110 GLY CA 1 1
1 446 2 2 10 GLY H H -2.837 4.487 9.589 1.00 . B B . 110 GLY H 1 1
1 447 2 2 10 GLY HA2 H -2.481 3.459 7.672 1.00 . B B . 110 GLY HA2 1 1
1 448 2 2 10 GLY HA3 H -4.146 2.905 7.489 1.00 . B B . 110 GLY HA3 1 1
1 449 2 2 10 GLY N N -3.683 4.362 9.019 1.00 . B B . 110 GLY N 1 1
1 450 2 2 10 GLY O O -4.546 4.894 6.011 1.00 . B B . 110 GLY O 1 1
1 451 2 2 11 PHE C C -2.873 6.748 4.653 1.00 . B B . 111 PHE C 1 1
1 452 2 2 11 PHE CA C -3.144 7.171 6.079 1.00 . B B . 111 PHE CA 1 1
1 453 2 2 11 PHE CB C -2.141 8.273 6.422 1.00 . B B . 111 PHE CB 1 1
1 454 2 2 11 PHE CD1 C -3.400 9.841 7.974 1.00 . B B . 111 PHE CD1 1 1
1 455 2 2 11 PHE CD2 C -1.544 8.510 8.811 1.00 . B B . 111 PHE CD2 1 1
1 456 2 2 11 PHE CE1 C -3.540 10.475 9.226 1.00 . B B . 111 PHE CE1 1 1
1 457 2 2 11 PHE CE2 C -1.582 9.304 9.979 1.00 . B B . 111 PHE CE2 1 1
1 458 2 2 11 PHE CG C -2.412 8.883 7.774 1.00 . B B . 111 PHE CG 1 1
1 459 2 2 11 PHE CZ C -2.513 10.329 10.152 1.00 . B B . 111 PHE CZ 1 1
1 460 2 2 11 PHE H H -1.997 5.981 7.581 1.00 . B B . 111 PHE H 1 1
1 461 2 2 11 PHE HA H -4.172 7.598 6.131 1.00 . B B . 111 PHE HA 1 1
1 462 2 2 11 PHE HB2 H -1.107 7.838 6.359 1.00 . B B . 111 PHE HB2 1 1
1 463 2 2 11 PHE HB3 H -2.180 9.059 5.680 1.00 . B B . 111 PHE HB3 1 1
1 464 2 2 11 PHE HD1 H -4.146 9.998 7.157 1.00 . B B . 111 PHE HD1 1 1
1 465 2 2 11 PHE HD2 H -0.753 7.739 8.811 1.00 . B B . 111 PHE HD2 1 1
1 466 2 2 11 PHE HE1 H -4.402 11.026 9.464 1.00 . B B . 111 PHE HE1 1 1
1 467 2 2 11 PHE HE2 H -0.885 8.964 10.759 1.00 . B B . 111 PHE HE2 1 1
1 468 2 2 11 PHE HZ H -2.592 11.057 10.954 1.00 . B B . 111 PHE HZ 1 1
1 469 2 2 11 PHE N N -2.861 5.992 6.965 1.00 . B B . 111 PHE N 1 1
1 470 2 2 11 PHE O O -1.788 6.267 4.452 1.00 . B B . 111 PHE O 1 1
1 471 2 2 12 LEU C C -2.574 7.958 1.951 1.00 . B B . 112 LEU C 1 1
1 472 2 2 12 LEU CA C -3.503 6.791 2.319 1.00 . B B . 112 LEU CA 1 1
1 473 2 2 12 LEU CB C -4.713 6.795 1.255 1.00 . B B . 112 LEU CB 1 1
1 474 2 2 12 LEU CD1 C -3.421 5.394 -0.404 1.00 . B B . 112 LEU CD1 1 1
1 475 2 2 12 LEU CD2 C -5.597 6.444 -1.114 1.00 . B B . 112 LEU CD2 1 1
1 476 2 2 12 LEU CG C -4.263 6.617 -0.252 1.00 . B B . 112 LEU CG 1 1
1 477 2 2 12 LEU H H -4.856 7.211 3.973 1.00 . B B . 112 LEU H 1 1
1 478 2 2 12 LEU HA H -2.942 5.828 2.201 1.00 . B B . 112 LEU HA 1 1
1 479 2 2 12 LEU HB2 H -5.251 5.848 1.558 1.00 . B B . 112 LEU HB2 1 1
1 480 2 2 12 LEU HB3 H -5.365 7.687 1.262 1.00 . B B . 112 LEU HB3 1 1
1 481 2 2 12 LEU HD11 H -3.901 4.489 0.033 1.00 . B B . 112 LEU HD11 1 1
1 482 2 2 12 LEU HD12 H -3.475 5.122 -1.531 1.00 . B B . 112 LEU HD12 1 1
1 483 2 2 12 LEU HD13 H -2.352 5.559 0.009 1.00 . B B . 112 LEU HD13 1 1
1 484 2 2 12 LEU HD21 H -6.126 5.537 -0.833 1.00 . B B . 112 LEU HD21 1 1
1 485 2 2 12 LEU HD22 H -6.313 7.234 -1.141 1.00 . B B . 112 LEU HD22 1 1
1 486 2 2 12 LEU HD23 H -5.226 6.227 -2.183 1.00 . B B . 112 LEU HD23 1 1
1 487 2 2 12 LEU HG H -3.677 7.452 -0.485 1.00 . B B . 112 LEU HG 1 1
1 488 2 2 12 LEU N N -3.871 6.928 3.693 1.00 . B B . 112 LEU N 1 1
1 489 2 2 12 LEU O O -3.138 9.000 1.661 1.00 . B B . 112 LEU O 1 1
1 490 2 2 13 GLY C C 0.768 8.197 0.544 1.00 . B B . 113 GLY C 1 1
1 491 2 2 13 GLY CA C -0.166 8.725 1.652 1.00 . B B . 113 GLY CA 1 1
1 492 2 2 13 GLY H H -0.897 6.883 2.260 1.00 . B B . 113 GLY H 1 1
1 493 2 2 13 GLY HA2 H -0.535 9.694 1.449 1.00 . B B . 113 GLY HA2 1 1
1 494 2 2 13 GLY HA3 H 0.487 8.795 2.560 1.00 . B B . 113 GLY HA3 1 1
1 495 2 2 13 GLY N N -1.269 7.749 1.885 1.00 . B B . 113 GLY N 1 1
1 496 2 2 13 GLY O O 1.864 7.834 0.867 1.00 . B B . 113 GLY O 1 1
1 497 2 2 14 ALA C C -0.993 8.504 -2.756 1.00 . B B . 114 ALA C 1 1
1 498 2 2 14 ALA CA C -0.552 9.017 -1.401 1.00 . B B . 114 ALA CA 1 1
1 499 2 2 14 ALA CB C 0.049 10.425 -1.591 1.00 . B B . 114 ALA CB 1 1
1 500 2 2 14 ALA H H 1.228 7.737 -1.430 1.00 . B B . 114 ALA H 1 1
1 501 2 2 14 ALA HA H -1.418 9.155 -0.742 1.00 . B B . 114 ALA HA 1 1
1 502 2 2 14 ALA HB1 H -0.771 11.117 -1.908 1.00 . B B . 114 ALA HB1 1 1
1 503 2 2 14 ALA HB2 H 0.478 10.874 -0.648 1.00 . B B . 114 ALA HB2 1 1
1 504 2 2 14 ALA HB3 H 0.684 10.338 -2.507 1.00 . B B . 114 ALA HB3 1 1
1 505 2 2 14 ALA N N 0.513 8.190 -0.785 1.00 . B B . 114 ALA N 1 1
1 506 2 2 14 ALA O O -1.188 9.252 -3.713 1.00 . B B . 114 ALA O 1 1
1 507 2 2 15 ALA C C -1.896 4.975 -3.739 1.00 . B B . 115 ALA C 1 1
1 508 2 2 15 ALA CA C -1.515 6.442 -3.912 1.00 . B B . 115 ALA CA 1 1
1 509 2 2 15 ALA CB C -0.566 6.606 -5.137 1.00 . B B . 115 ALA CB 1 1
1 510 2 2 15 ALA H H -0.924 6.633 -1.910 1.00 . B B . 115 ALA H 1 1
1 511 2 2 15 ALA HA H -2.475 6.955 -4.181 1.00 . B B . 115 ALA HA 1 1
1 512 2 2 15 ALA HB1 H 0.135 5.800 -4.907 1.00 . B B . 115 ALA HB1 1 1
1 513 2 2 15 ALA HB2 H -1.077 6.358 -6.066 1.00 . B B . 115 ALA HB2 1 1
1 514 2 2 15 ALA HB3 H -0.104 7.607 -5.295 1.00 . B B . 115 ALA HB3 1 1
1 515 2 2 15 ALA N N -1.071 7.162 -2.721 1.00 . B B . 115 ALA N 1 1
1 516 2 2 15 ALA O O -2.889 4.646 -4.384 1.00 . B B . 115 ALA O 1 1
1 517 2 2 16 GLY C C -0.977 1.737 -2.004 1.00 . B B . 116 GLY C 1 1
1 518 2 2 16 GLY CA C -1.817 2.765 -2.836 1.00 . B B . 116 GLY CA 1 1
1 519 2 2 16 GLY H H -0.297 4.224 -2.615 1.00 . B B . 116 GLY H 1 1
1 520 2 2 16 GLY HA2 H -2.853 2.768 -2.432 1.00 . B B . 116 GLY HA2 1 1
1 521 2 2 16 GLY HA3 H -1.726 2.393 -3.885 1.00 . B B . 116 GLY HA3 1 1
1 522 2 2 16 GLY N N -1.200 4.116 -3.022 1.00 . B B . 116 GLY N 1 1
1 523 2 2 16 GLY O O -0.126 1.119 -2.622 1.00 . B B . 116 GLY O 1 1
1 524 2 2 17 SER C C -1.096 0.455 1.392 1.00 . B B . 117 SER C 1 1
1 525 2 2 17 SER CA C -0.452 0.733 0.093 1.00 . B B . 117 SER CA 1 1
1 526 2 2 17 SER CB C 1.071 1.027 0.228 1.00 . B B . 117 SER CB 1 1
1 527 2 2 17 SER H H -1.974 2.262 -0.263 1.00 . B B . 117 SER H 1 1
1 528 2 2 17 SER HA H -0.665 -0.195 -0.516 1.00 . B B . 117 SER HA 1 1
1 529 2 2 17 SER HB2 H 1.677 0.089 0.302 1.00 . B B . 117 SER HB2 1 1
1 530 2 2 17 SER HB3 H 1.432 1.660 -0.551 1.00 . B B . 117 SER HB3 1 1
1 531 2 2 17 SER HG H 2.064 1.876 1.764 1.00 . B B . 117 SER HG 1 1
1 532 2 2 17 SER N N -1.197 1.630 -0.663 1.00 . B B . 117 SER N 1 1
1 533 2 2 17 SER O O -2.069 1.052 1.783 1.00 . B B . 117 SER O 1 1
1 534 2 2 17 SER OG O 1.187 1.750 1.435 1.00 . B B . 117 SER OG 1 1
1 535 2 2 18 THR C C -1.137 0.907 4.149 1.00 . B B . 118 THR C 1 1
1 536 2 2 18 THR CA C -0.963 -0.496 3.554 1.00 . B B . 118 THR CA 1 1
1 537 2 2 18 THR CB C -0.136 -1.262 4.595 1.00 . B B . 118 THR CB 1 1
1 538 2 2 18 THR CG2 C 0.086 -2.741 4.067 1.00 . B B . 118 THR CG2 1 1
1 539 2 2 18 THR H H 0.298 -1.016 1.884 1.00 . B B . 118 THR H 1 1
1 540 2 2 18 THR HA H -2.021 -0.935 3.615 1.00 . B B . 118 THR HA 1 1
1 541 2 2 18 THR HB H -0.861 -1.279 5.475 1.00 . B B . 118 THR HB 1 1
1 542 2 2 18 THR HG1 H 1.659 -1.230 5.548 1.00 . B B . 118 THR HG1 1 1
1 543 2 2 18 THR HG21 H 0.878 -2.750 3.294 1.00 . B B . 118 THR HG21 1 1
1 544 2 2 18 THR HG22 H 0.543 -3.286 4.946 1.00 . B B . 118 THR HG22 1 1
1 545 2 2 18 THR HG23 H -0.846 -3.268 3.705 1.00 . B B . 118 THR HG23 1 1
1 546 2 2 18 THR N N -0.437 -0.373 2.160 1.00 . B B . 118 THR N 1 1
1 547 2 2 18 THR O O -2.226 1.202 4.584 1.00 . B B . 118 THR O 1 1
1 548 2 2 18 THR OG1 O 1.140 -0.747 4.936 1.00 . B B . 118 THR OG1 1 1
1 549 2 2 19 MET C C 0.328 4.109 4.072 1.00 . B B . 119 MET C 1 1
1 550 2 2 19 MET CA C -0.340 3.063 4.934 1.00 . B B . 119 MET CA 1 1
1 551 2 2 19 MET CB C 0.130 3.220 6.393 1.00 . B B . 119 MET CB 1 1
1 552 2 2 19 MET CE C 2.261 5.113 8.258 1.00 . B B . 119 MET CE 1 1
1 553 2 2 19 MET CG C 1.677 2.927 6.553 1.00 . B B . 119 MET CG 1 1
1 554 2 2 19 MET H H 0.844 1.557 4.005 1.00 . B B . 119 MET H 1 1
1 555 2 2 19 MET HA H -1.425 3.282 4.941 1.00 . B B . 119 MET HA 1 1
1 556 2 2 19 MET HB2 H -0.030 4.313 6.622 1.00 . B B . 119 MET HB2 1 1
1 557 2 2 19 MET HB3 H -0.408 2.528 7.053 1.00 . B B . 119 MET HB3 1 1
1 558 2 2 19 MET HE1 H 2.532 5.470 9.248 1.00 . B B . 119 MET HE1 1 1
1 559 2 2 19 MET HE2 H 2.937 5.454 7.487 1.00 . B B . 119 MET HE2 1 1
1 560 2 2 19 MET HE3 H 1.281 5.550 8.202 1.00 . B B . 119 MET HE3 1 1
1 561 2 2 19 MET HG2 H 1.824 1.767 6.390 1.00 . B B . 119 MET HG2 1 1
1 562 2 2 19 MET HG3 H 2.283 3.465 5.900 1.00 . B B . 119 MET HG3 1 1
1 563 2 2 19 MET N N -0.118 1.794 4.277 1.00 . B B . 119 MET N 1 1
1 564 2 2 19 MET O O 0.811 5.078 4.592 1.00 . B B . 119 MET O 1 1
1 565 2 2 19 MET SD S 2.351 3.307 8.200 1.00 . B B . 119 MET SD 1 1
1 566 2 2 20 GLY C C 2.291 4.527 1.213 1.00 . B B . 120 GLY C 1 1
1 567 2 2 20 GLY CA C 1.051 5.002 1.857 1.00 . B B . 120 GLY CA 1 1
1 568 2 2 20 GLY H H 0.004 3.141 2.248 1.00 . B B . 120 GLY H 1 1
1 569 2 2 20 GLY HA2 H 0.378 5.289 1.051 1.00 . B B . 120 GLY HA2 1 1
1 570 2 2 20 GLY HA3 H 1.290 5.956 2.399 1.00 . B B . 120 GLY HA3 1 1
1 571 2 2 20 GLY N N 0.390 3.971 2.708 1.00 . B B . 120 GLY N 1 1
1 572 2 2 20 GLY O O 3.056 3.892 1.918 1.00 . B B . 120 GLY O 1 1
1 573 2 2 21 ALA C C 4.739 5.672 -0.866 1.00 . B B . 121 ALA C 1 1
1 574 2 2 21 ALA CA C 3.766 4.493 -0.776 1.00 . B B . 121 ALA CA 1 1
1 575 2 2 21 ALA CB C 3.381 3.903 -2.189 1.00 . B B . 121 ALA CB 1 1
1 576 2 2 21 ALA H H 2.025 5.639 -0.551 1.00 . B B . 121 ALA H 1 1
1 577 2 2 21 ALA HA H 4.317 3.741 -0.278 1.00 . B B . 121 ALA HA 1 1
1 578 2 2 21 ALA HB1 H 4.212 3.444 -2.840 1.00 . B B . 121 ALA HB1 1 1
1 579 2 2 21 ALA HB2 H 2.703 3.097 -2.018 1.00 . B B . 121 ALA HB2 1 1
1 580 2 2 21 ALA HB3 H 2.934 4.777 -2.718 1.00 . B B . 121 ALA HB3 1 1
1 581 2 2 21 ALA N N 2.593 4.933 -0.062 1.00 . B B . 121 ALA N 1 1
1 582 2 2 21 ALA O O 4.296 6.780 -0.521 1.00 . B B . 121 ALA O 1 1
1 583 2 2 22 ARG C C 6.044 7.502 -2.723 1.00 . B B . 122 ARG C 1 1
1 584 2 2 22 ARG CA C 6.749 6.777 -1.673 1.00 . B B . 122 ARG CA 1 1
1 585 2 2 22 ARG CB C 8.171 6.299 -2.215 1.00 . B B . 122 ARG CB 1 1
1 586 2 2 22 ARG CD C 9.355 8.679 -2.362 1.00 . B B . 122 ARG CD 1 1
1 587 2 2 22 ARG CG C 8.898 7.362 -3.095 1.00 . B B . 122 ARG CG 1 1
1 588 2 2 22 ARG CZ C 9.717 10.380 -4.147 1.00 . B B . 122 ARG CZ 1 1
1 589 2 2 22 ARG H H 6.245 4.606 -1.606 1.00 . B B . 122 ARG H 1 1
1 590 2 2 22 ARG HA H 6.840 7.340 -0.781 1.00 . B B . 122 ARG HA 1 1
1 591 2 2 22 ARG HB2 H 8.753 6.018 -1.296 1.00 . B B . 122 ARG HB2 1 1
1 592 2 2 22 ARG HB3 H 8.146 5.406 -2.875 1.00 . B B . 122 ARG HB3 1 1
1 593 2 2 22 ARG HD2 H 8.452 9.187 -1.921 1.00 . B B . 122 ARG HD2 1 1
1 594 2 2 22 ARG HD3 H 9.993 8.293 -1.523 1.00 . B B . 122 ARG HD3 1 1
1 595 2 2 22 ARG HE H 11.172 9.358 -3.135 1.00 . B B . 122 ARG HE 1 1
1 596 2 2 22 ARG HG2 H 9.707 6.853 -3.560 1.00 . B B . 122 ARG HG2 1 1
1 597 2 2 22 ARG HG3 H 8.273 7.619 -3.938 1.00 . B B . 122 ARG HG3 1 1
1 598 2 2 22 ARG HH11 H 7.652 10.205 -3.598 1.00 . B B . 122 ARG HH11 1 1
1 599 2 2 22 ARG HH12 H 8.036 11.299 -4.880 1.00 . B B . 122 ARG HH12 1 1
1 600 2 2 22 ARG HH21 H 11.487 10.854 -4.954 1.00 . B B . 122 ARG HH21 1 1
1 601 2 2 22 ARG HH22 H 10.102 11.510 -5.707 1.00 . B B . 122 ARG HH22 1 1
1 602 2 2 22 ARG N N 5.970 5.533 -1.392 1.00 . B B . 122 ARG N 1 1
1 603 2 2 22 ARG NE N 10.183 9.533 -3.284 1.00 . B B . 122 ARG NE 1 1
1 604 2 2 22 ARG NH1 N 8.418 10.640 -4.223 1.00 . B B . 122 ARG NH1 1 1
1 605 2 2 22 ARG NH2 N 10.511 10.990 -4.992 1.00 . B B . 122 ARG NH2 1 1
1 606 2 2 22 ARG O O 5.987 8.712 -2.589 1.00 . B B . 122 ARG O 1 1
1 607 2 2 23 SER C C 5.207 8.672 -5.372 1.00 . B B . 123 SER C 1 1
1 608 2 2 23 SER CA C 4.543 7.443 -4.722 1.00 . B B . 123 SER CA 1 1
1 609 2 2 23 SER CB C 3.142 7.737 -4.074 1.00 . B B . 123 SER CB 1 1
1 610 2 2 23 SER H H 5.576 5.883 -4.007 1.00 . B B . 123 SER H 1 1
1 611 2 2 23 SER HXT H 6.806 9.250 -5.930 1.00 . B B . 123 SER HXT 1 1
1 612 2 2 23 SER HA H 4.347 6.740 -5.553 1.00 . B B . 123 SER HA 1 1
1 613 2 2 23 SER HB2 H 2.553 8.371 -4.773 1.00 . B B . 123 SER HB2 1 1
1 614 2 2 23 SER HB3 H 2.542 6.817 -3.844 1.00 . B B . 123 SER HB3 1 1
1 615 2 2 23 SER HG H 3.566 9.362 -2.984 1.00 . B B . 123 SER HG 1 1
1 616 2 2 23 SER N N 5.481 6.818 -3.724 1.00 . B B . 123 SER N 1 1
1 617 2 2 23 SER O O 4.514 9.547 -5.937 1.00 . B B . 123 SER O 1 1
1 618 2 2 23 SER OXT O 6.494 8.695 -5.222 1.00 . B B . 123 SER OXT 1 1
1 619 2 2 23 SER OG O 3.179 8.456 -2.836 1.00 . B B . 123 SER OG 1 1
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