Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@043.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@043.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@043.pdb
new file mode 100644 (file)
index 0000000..a50d943
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+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@043.pdb
@@ -0,0 +1,63 @@
+REMARK GM 43 e   5188792 m  22729                         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       5.297  -4.665   1.191          0.000
+ATOM      5  CA  TYR     3       1.576  -4.116  -2.874          0.000
+ATOM      6  CB  TYR     3      -0.320  -3.079  -4.099          0.000
+ATOM      7  CA  ILE     4       2.699  -7.663  -3.644          0.000
+ATOM      8  CB  ILE     4       4.171  -7.930  -2.686          0.000
+ATOM      9  CA  GLN     5       0.690  -9.086  -0.750          0.000
+ATOM     10  CB  GLN     5       2.111  -9.555   0.917          0.000
+ATOM     11  CA  TRP     6      -2.278  -6.873  -1.609          0.000
+ATOM     12  CB  TRP     6      -3.347  -4.501  -1.718          0.000
+ATOM     13  CA  LEU     7      -2.146  -7.882  -5.270          0.000
+ATOM     14  CB  LEU     7      -2.383  -6.457  -6.563          0.000
+ATOM     15  CA  LYS     8      -1.522 -11.516  -4.351          0.000
+ATOM     16  CB  LYS     8      -1.074 -11.761  -1.861          0.000
+ATOM     17  CA  ASP     9      -4.745 -11.690  -2.344          0.000
+ATOM     18  CB  ASP     9      -6.168 -11.718  -1.399          0.000
+ATOM     19  CA  GLY    10      -6.934 -11.729  -5.450          0.000
+ATOM     20  CA  GLY    11      -8.698 -14.681  -7.067          0.000
+ATOM     21  CA  PRO    12      -7.894 -18.346  -6.463          0.000
+ATOM     22  CB  PRO    12      -8.566 -18.838  -7.519          0.000
+ATOM     23  CA  SER    13      -4.553 -19.275  -8.018          0.000
+ATOM     24  CB  SER    13      -4.451 -20.351  -8.411          0.000
+ATOM     25  CA  SER    14      -5.689 -17.783 -11.323          0.000
+ATOM     26  CB  SER    14      -6.829 -17.656 -11.407          0.000
+ATOM     27  CA  GLY    15      -5.059 -14.272 -10.012          0.000
+ATOM     28  CA  ARG    16      -3.741 -14.921  -6.508          0.000
+ATOM     29  CB  ARG    16      -1.307 -14.118  -8.105          0.000
+ATOM     30  CA  PRO    17      -5.564 -16.207  -3.431          0.000
+ATOM     31  CB  PRO    17      -4.564 -15.585  -2.781          0.000
+ATOM     32  CA  PRO    18      -8.969 -14.847  -2.434          0.000
+ATOM     33  CB  PRO    18      -9.459 -15.810  -3.235          0.000
+ATOM     34  CA  PRO    19     -10.136 -15.085   1.174          0.000
+ATOM     35  CB  PRO    19      -9.987 -13.749   1.201          0.000
+ATOM     36  CA  SER    20     -13.653 -16.125   0.181          0.000
+ATOM     37  CB  SER    20     -14.120 -15.566  -0.709          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