restructured examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@015.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@015.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@015.pdb
new file mode 100644 (file)
index 0000000..6a970e5
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+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@015.pdb
@@ -0,0 +1,62 @@
+REMARK GM 15 e    287322 m   1047                         ENERGY    -1.67919E+02
+SHEET    1 B1  2 ASN     1  TYR     3  0
+SHEET    2 B1  2 TRP     6  LYS     8 -1  N  LYS     8   O  ASN     1
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       4.242   1.460   0.714          0.000
+ATOM      3  CA  LEU     2       4.040  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       3.528  -5.498   0.767          0.000
+ATOM      5  CA  TYR     3       5.109  -5.329  -3.307          0.000
+ATOM      6  CB  TYR     3       7.547  -4.891  -3.494          0.000
+ATOM      7  CA  ILE     4       5.848  -8.692  -1.698          0.000
+ATOM      8  CB  ILE     4       7.512  -9.235  -1.401          0.000
+ATOM      9  CA  GLN     5       2.199  -9.755  -1.715          0.000
+ATOM     10  CB  GLN     5       0.286  -8.850  -0.981          0.000
+ATOM     11  CA  TRP     6       1.323  -7.217  -4.405          0.000
+ATOM     12  CB  TRP     6       3.003  -9.133  -4.947          0.000
+ATOM     13  CA  LEU     7      -0.148  -4.744  -1.922          0.000
+ATOM     14  CB  LEU     7      -0.824  -3.978  -0.275          0.000
+ATOM     15  CA  LYS     8       1.002  -1.780  -4.003          0.000
+ATOM     16  CB  LYS     8       3.491  -1.583  -3.531          0.000
+ATOM     17  CA  ASP     9      -1.230  -2.713  -6.933          0.000
+ATOM     18  CB  ASP     9      -1.667  -4.245  -6.314          0.000
+ATOM     19  CA  GLY    10      -4.203  -0.831  -5.498          0.000
+ATOM     20  CA  GLY    11      -5.600  -3.839  -3.644          0.000
+ATOM     21  CA  PRO    12      -3.814  -6.900  -2.273          0.000
+ATOM     22  CB  PRO    12      -4.913  -6.907  -1.497          0.000
+ATOM     23  CA  SER    13      -2.064  -9.098  -4.831          0.000
+ATOM     24  CB  SER    13      -1.589  -8.681  -5.792          0.000
+ATOM     25  CA  SER    14      -0.164 -12.340  -4.268          0.000
+ATOM     26  CB  SER    14      -0.845 -13.267  -4.301          0.000
+ATOM     27  CA  GLY    15       2.409 -13.616  -6.757          0.000
+ATOM     28  CA  ARG    16       1.548 -15.040 -10.174          0.000
+ATOM     29  CB  ARG    16       2.061 -17.920 -10.925          0.000
+ATOM     30  CA  PRO    17      -1.743 -16.653 -11.176          0.000
+ATOM     31  CB  PRO    17      -1.430 -15.996 -12.307          0.000
+ATOM     32  CA  PRO    18      -2.263 -20.308 -10.276          0.000
+ATOM     33  CB  PRO    18      -3.425 -19.855  -9.773          0.000
+ATOM     34  CA  PRO    19      -2.263 -22.849 -13.102          0.000
+ATOM     35  CB  PRO    19      -1.001 -22.987 -12.660          0.000
+ATOM     36  CA  SER    20      -5.498 -24.729 -13.768          0.000
+ATOM     37  CB  SER    20      -5.800 -24.692 -14.877          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