Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@045.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb
new file mode 100644 (file)
index 0000000..3f350c9
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+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@045.pdb
@@ -0,0 +1,63 @@
+REMARK GM 45 e   5237732 m  22959                         ENERGY    -2.13559E+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       5.299  -4.666   1.190          0.000
+ATOM      5  CA  TYR     3       1.572  -4.116  -2.870          0.000
+ATOM      6  CB  TYR     3      -0.325  -3.078  -4.093          0.000
+ATOM      7  CA  ILE     4       2.693  -7.665  -3.640          0.000
+ATOM      8  CB  ILE     4       4.166  -7.932  -2.685          0.000
+ATOM      9  CA  GLN     5       0.687  -9.085  -0.742          0.000
+ATOM     10  CB  GLN     5       2.113  -9.564   0.919          0.000
+ATOM     11  CA  TRP     6      -2.280  -6.871  -1.596          0.000
+ATOM     12  CB  TRP     6      -3.351  -4.499  -1.707          0.000
+ATOM     13  CA  LEU     7      -2.155  -7.881  -5.258          0.000
+ATOM     14  CB  LEU     7      -2.395  -6.457  -6.551          0.000
+ATOM     15  CA  LYS     8      -1.529 -11.514  -4.338          0.000
+ATOM     16  CB  LYS     8      -1.102 -11.756  -1.845          0.000
+ATOM     17  CA  ASP     9      -4.743 -11.685  -2.317          0.000
+ATOM     18  CB  ASP     9      -6.187 -11.671  -1.403          0.000
+ATOM     19  CA  GLY    10      -6.949 -11.694  -5.412          0.000
+ATOM     20  CA  GLY    11      -8.740 -14.625  -7.038          0.000
+ATOM     21  CA  PRO    12      -7.938 -18.298  -6.482          0.000
+ATOM     22  CB  PRO    12      -8.623 -18.777  -7.536          0.000
+ATOM     23  CA  SER    13      -4.619 -19.212  -8.091          0.000
+ATOM     24  CB  SER    13      -4.524 -20.283  -8.500          0.000
+ATOM     25  CA  SER    14      -5.788 -17.670 -11.361          0.000
+ATOM     26  CB  SER    14      -6.928 -17.535 -11.427          0.000
+ATOM     27  CA  GLY    15      -5.122 -14.180 -10.012          0.000
+ATOM     28  CA  ARG    16      -3.772 -14.880  -6.529          0.000
+ATOM     29  CB  ARG    16      -1.350 -14.086  -8.148          0.000
+ATOM     30  CA  PRO    17      -5.572 -16.200  -3.453          0.000
+ATOM     31  CB  PRO    17      -4.583 -15.575  -2.790          0.000
+ATOM     32  CA  PRO    18      -8.956 -14.837  -2.392          0.000
+ATOM     33  CB  PRO    18      -9.459 -15.777  -3.212          0.000
+ATOM     34  CA  PRO    19     -10.052 -15.146   1.233          0.000
+ATOM     35  CB  PRO    19      -8.966 -14.412   1.537          0.000
+ATOM     36  CA  SER    20     -13.627 -16.030   0.297          0.000
+ATOM     37  CB  SER    20     -14.098 -15.426  -0.561          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