corrected example CSA run with 4P

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@049.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@049.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@049.pdb
new file mode 100644 (file)
index 0000000..bfdf423
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@049.pdb
@@ -0,0 +1,63 @@
+REMARK GM 49 e   6017303 m  25529                         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       4.057  -5.731  -0.053          0.000
+ATOM      5  CA  TYR     3       1.506  -4.080  -2.815          0.000
+ATOM      6  CB  TYR     3       0.570  -1.786  -2.648          0.000
+ATOM      7  CA  ILE     4       4.087  -3.158  -5.448          0.000
+ATOM      8  CB  ILE     4       4.306  -1.511  -6.073          0.000
+ATOM      9  CA  GLN     5       6.578  -5.668  -4.057          0.000
+ATOM     10  CB  GLN     5       7.521  -4.295  -2.559          0.000
+ATOM     11  CA  TRP     6       3.831  -8.260  -3.636          0.000
+ATOM     12  CB  TRP     6       4.721 -10.699  -3.417          0.000
+ATOM     13  CA  LEU     7       2.402  -7.479  -7.069          0.000
+ATOM     14  CB  LEU     7       0.958  -6.304  -6.524          0.000
+ATOM     15  CA  LYS     8       5.876  -7.469  -8.607          0.000
+ATOM     16  CB  LYS     8       6.703  -5.066  -8.573          0.000
+ATOM     17  CA  ASP     9       6.650 -10.917  -7.211          0.000
+ATOM     18  CB  ASP     9       7.773 -10.741  -5.935          0.000
+ATOM     19  CA  GLY    10       3.501 -12.466  -8.668          0.000
+ATOM     20  CA  GLY    11       3.004 -14.564 -11.797          0.000
+ATOM     21  CA  PRO    12       5.494 -14.900 -14.648          0.000
+ATOM     22  CB  PRO    12       4.644 -15.381 -15.572          0.000
+ATOM     23  CA  SER    13       5.734 -11.652 -16.605          0.000
+ATOM     24  CB  SER    13       5.998 -11.739 -17.721          0.000
+ATOM     25  CA  SER    14       1.952 -11.608 -16.972          0.000
+ATOM     26  CB  SER    14       1.431 -12.627 -16.860          0.000
+ATOM     27  CA  GLY    15       1.568 -10.425 -13.381          0.000
+ATOM     28  CA  ARG    16       5.192 -10.095 -12.290          0.000
+ATOM     29  CB  ARG    16       3.492  -7.818 -11.269          0.000
+ATOM     30  CA  PRO    17       7.729 -12.813 -11.503          0.000
+ATOM     31  CB  PRO    17       8.369 -11.791 -10.907          0.000
+ATOM     32  CA  PRO    18       6.746 -15.797  -9.365          0.000
+ATOM     33  CB  PRO    18       6.539 -16.351 -10.573          0.000
+ATOM     34  CA  PRO    19       9.205 -17.036  -6.747          0.000
+ATOM     35  CB  PRO    19       8.693 -16.101  -5.926          0.000
+ATOM     36  CA  SER    20       9.779 -20.333  -8.547          0.000
+ATOM     37  CB  SER    20       8.853 -20.771  -9.070          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