corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@046.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@046.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@046.pdb
new file mode 100644 (file)
index 0000000..21ce55c
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@046.pdb
@@ -0,0 +1,63 @@
+REMARK GM 46 e   5778969 m  24449                         ENERGY    -1.85201E+02
+HELIX    1 H1  LEU      2  GLY     10  1                                       8
+SHEET    1 B1  2 GLY    11  SER    13  0
+SHEET    2 B1  2 ARG    16  PRO    18 -1  N  PRO    18   O  GLY    11
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       5.352   0.503   0.417          0.000
+ATOM      3  CA  LEU     2       4.042  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       4.055  -5.731  -0.051          0.000
+ATOM      5  CA  TYR     3       1.522  -4.079  -2.829          0.000
+ATOM      6  CB  TYR     3       0.584  -1.785  -2.667          0.000
+ATOM      7  CA  ILE     4       4.117  -3.158  -5.447          0.000
+ATOM      8  CB  ILE     4       4.339  -1.510  -6.070          0.000
+ATOM      9  CA  GLN     5       6.599  -5.669  -4.043          0.000
+ATOM     10  CB  GLN     5       7.534  -4.298  -2.539          0.000
+ATOM     11  CA  TRP     6       3.849  -8.259  -3.636          0.000
+ATOM     12  CB  TRP     6       4.735 -10.698  -3.408          0.000
+ATOM     13  CA  LEU     7       2.437  -7.478  -7.076          0.000
+ATOM     14  CB  LEU     7       0.992  -6.301  -6.540          0.000
+ATOM     15  CA  LYS     8       5.920  -7.469  -8.597          0.000
+ATOM     16  CB  LYS     8       6.754  -5.069  -8.549          0.000
+ATOM     17  CA  ASP     9       6.685 -10.918  -7.199          0.000
+ATOM     18  CB  ASP     9       7.797 -10.746  -5.912          0.000
+ATOM     19  CA  GLY    10       3.542 -12.465  -8.672          0.000
+ATOM     20  CA  GLY    11       3.061 -14.562 -11.804          0.000
+ATOM     21  CA  PRO    12       5.562 -14.894 -14.645          0.000
+ATOM     22  CB  PRO    12       4.715 -15.375 -15.572          0.000
+ATOM     23  CA  SER    13       5.809 -11.643 -16.597          0.000
+ATOM     24  CB  SER    13       6.076 -11.729 -17.713          0.000
+ATOM     25  CA  SER    14       2.028 -11.600 -16.979          0.000
+ATOM     26  CB  SER    14       1.507 -12.619 -16.867          0.000
+ATOM     27  CA  GLY    15       1.629 -10.419 -13.389          0.000
+ATOM     28  CA  ARG    16       5.250 -10.091 -12.283          0.000
+ATOM     29  CB  ARG    16       3.550  -7.809 -11.271          0.000
+ATOM     30  CA  PRO    17       7.784 -12.809 -11.489          0.000
+ATOM     31  CB  PRO    17       8.421 -11.787 -10.890          0.000
+ATOM     32  CA  PRO    18       6.792 -15.795  -9.357          0.000
+ATOM     33  CB  PRO    18       6.592 -16.348 -10.567          0.000
+ATOM     34  CA  PRO    19       9.233 -17.023  -6.716          0.000
+ATOM     35  CB  PRO    19       8.714 -16.087  -5.902          0.000
+ATOM     36  CA  SER    20       9.829 -20.322  -8.506          0.000
+ATOM     37  CB  SER    20       8.908 -20.764  -9.034          0.000
+TER
+CONECT    1    3    2
+CONECT    3    5    4
+CONECT    5    7    6
+CONECT    7    9    8
+CONECT    9   11   10
+CONECT   11   13   12
+CONECT   13   15   14
+CONECT   15   17   16
+CONECT   17   19   18
+CONECT   19   20
+CONECT   20   21
+CONECT   21   23   22
+CONECT   23   25   24
+CONECT   25   27   26
+CONECT   27   28
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+CONECT   34   36   35
+CONECT   36   37
+ENDMDL