1. New organization of examples for 4P,GAB,E0LL2Y force field,

[unres.git] / examples / unres / CSA / 4P / CSA / output / 1l2y_csa@031.pdb

diff --git a/examples/unres/CSA/4P/CSA/output/1l2y_csa@031.pdb b/examples/unres/CSA/4P/CSA/output/1l2y_csa@031.pdb
new file mode 100644 (file)
index 0000000..3b55230
--- /dev/null
+++ b/examples/unres/CSA/4P/CSA/output/1l2y_csa@031.pdb
@@ -0,0 +1,62 @@
+REMARK GM 31 e   4636857 m  18414                         ENERGY    -1.86488E+02
+HELIX    1 H1  LEU      2  GLY     10  1                                       8
+HELIX    2 H2  GLY     11  PRO     17  1                                       6
+ATOM      1  CA  ASN     1       3.800   0.000   0.000          0.000
+ATOM      2  CB  ASN     1       4.371   0.265   1.562          0.000
+ATOM      3  CA  LEU     2       4.041  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       3.826  -5.685   0.361          0.000
+ATOM      5  CA  TYR     3       1.499  -4.087  -2.809          0.000
+ATOM      6  CB  TYR     3       0.612  -1.767  -2.856          0.000
+ATOM      7  CA  ILE     4       4.069  -3.183  -5.458          0.000
+ATOM      8  CB  ILE     4       4.240  -1.530  -6.084          0.000
+ATOM      9  CA  GLN     5       6.640  -5.552  -3.970          0.000
+ATOM     10  CB  GLN     5       7.405  -4.246  -2.318          0.000
+ATOM     11  CA  TRP     6       3.981  -8.213  -3.428          0.000
+ATOM     12  CB  TRP     6       3.100 -10.369  -2.262          0.000
+ATOM     13  CA  LEU     7       2.501  -7.613  -6.877          0.000
+ATOM     14  CB  LEU     7       0.962  -6.571  -6.323          0.000
+ATOM     15  CA  LYS     8       5.955  -7.573  -8.460          0.000
+ATOM     16  CB  LYS     8       6.770  -5.168  -8.385          0.000
+ATOM     17  CA  ASP     9       6.878 -10.920  -6.914          0.000
+ATOM     18  CB  ASP     9       6.999 -10.433  -5.281          0.000
+ATOM     19  CA  GLY    10       4.870 -12.910  -9.454          0.000
+ATOM     20  CA  GLY    11       1.481 -14.629  -9.460          0.000
+ATOM     21  CA  PRO    12       2.406 -17.021  -6.656          0.000
+ATOM     22  CB  PRO    12       3.533 -17.303  -7.335          0.000
+ATOM     23  CA  SER    13       3.419 -14.124  -4.416          0.000
+ATOM     24  CB  SER    13       3.964 -13.285  -4.984          0.000
+ATOM     25  CA  SER    14      -0.005 -12.523  -4.805          0.000
+ATOM     26  CB  SER    14       0.505 -11.598  -5.261          0.000
+ATOM     27  CA  GLY    15      -1.833 -15.740  -3.940          0.000
+ATOM     28  CA  ARG    16       0.273 -16.507  -0.871          0.000
+ATOM     29  CB  ARG    16       2.786 -16.845  -2.513          0.000
+ATOM     30  CA  PRO    17       0.303 -14.402   2.292          0.000
+ATOM     31  CB  PRO    17       0.601 -15.621   2.775          0.000
+ATOM     32  CA  PRO    18       2.064 -11.037   2.163          0.000
+ATOM     33  CB  PRO    18       0.926 -10.609   2.739          0.000
+ATOM     34  CA  PRO    19       5.425 -10.727   3.908          0.000
+ATOM     35  CB  PRO    19       5.863 -10.450   2.667          0.000
+ATOM     36  CA  SER    20       4.441  -7.500   5.657          0.000
+ATOM     37  CB  SER    20       3.876  -6.742   5.003          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