Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@042.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@042.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@042.pdb
new file mode 100644 (file)
index 0000000..ea27094
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@042.pdb
@@ -0,0 +1,63 @@
+REMARK GM 42 e   5020620 m  21933                         ENERGY    -2.13441E+02
+HELIX    1 H1  TYR      3  GLY     10  1                                       7
+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       4.378   0.213   1.567          0.000
+ATOM      3  CA  LEU     2       4.041  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       5.298  -4.664   1.192          0.000
+ATOM      5  CA  TYR     3       1.580  -4.116  -2.877          0.000
+ATOM      6  CB  TYR     3      -0.316  -3.079  -4.102          0.000
+ATOM      7  CA  ILE     4       2.708  -7.661  -3.650          0.000
+ATOM      8  CB  ILE     4       4.177  -7.927  -2.688          0.000
+ATOM      9  CA  GLN     5       0.699  -9.090  -0.758          0.000
+ATOM     10  CB  GLN     5       2.101  -9.537   0.931          0.000
+ATOM     11  CA  TRP     6      -2.270  -6.879  -1.615          0.000
+ATOM     12  CB  TRP     6      -3.342  -4.507  -1.723          0.000
+ATOM     13  CA  LEU     7      -2.136  -7.884  -5.277          0.000
+ATOM     14  CB  LEU     7      -2.373  -6.458  -6.570          0.000
+ATOM     15  CA  LYS     8      -1.509 -11.518  -4.361          0.000
+ATOM     16  CB  LYS     8      -1.062 -11.765  -1.872          0.000
+ATOM     17  CA  ASP     9      -4.732 -11.697  -2.356          0.000
+ATOM     18  CB  ASP     9      -6.155 -11.728  -1.410          0.000
+ATOM     19  CA  GLY    10      -6.921 -11.736  -5.461          0.000
+ATOM     20  CA  GLY    11      -8.678 -14.688  -7.085          0.000
+ATOM     21  CA  PRO    12      -7.873 -18.353  -6.481          0.000
+ATOM     22  CB  PRO    12      -8.542 -18.845  -7.539          0.000
+ATOM     23  CA  SER    13      -4.528 -19.279  -8.029          0.000
+ATOM     24  CB  SER    13      -4.424 -20.355  -8.421          0.000
+ATOM     25  CA  SER    14      -5.659 -17.790 -11.338          0.000
+ATOM     26  CB  SER    14      -6.799 -17.664 -11.424          0.000
+ATOM     27  CA  GLY    15      -5.037 -14.278 -10.026          0.000
+ATOM     28  CA  ARG    16      -3.723 -14.925  -6.519          0.000
+ATOM     29  CB  ARG    16      -1.289 -14.117  -8.114          0.000
+ATOM     30  CA  PRO    17      -5.548 -16.214  -3.446          0.000
+ATOM     31  CB  PRO    17      -4.548 -15.593  -2.795          0.000
+ATOM     32  CA  PRO    18      -8.955 -14.857  -2.451          0.000
+ATOM     33  CB  PRO    18      -9.443 -15.820  -3.254          0.000
+ATOM     34  CA  PRO    19     -10.125 -15.096   1.156          0.000
+ATOM     35  CB  PRO    19      -9.978 -13.759   1.181          0.000
+ATOM     36  CA  SER    20     -13.640 -16.141   0.160          0.000
+ATOM     37  CB  SER    20     -14.107 -15.583  -0.731          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