restructured examples

[unres.git] / examples / unres / CSA / 4P / outputs / 1l2y_csa@020.pdb

diff --git a/examples/unres/CSA/4P/outputs/1l2y_csa@020.pdb b/examples/unres/CSA/4P/outputs/1l2y_csa@020.pdb
new file mode 100644 (file)
index 0000000..4f322a4
--- /dev/null
+++ b/examples/unres/CSA/4P/outputs/1l2y_csa@020.pdb
@@ -0,0 +1,62 @@
+REMARK GM 20 e    630115 m   2330                         ENERGY    -1.77278E+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       4.244   1.470   0.691          0.000
+ATOM      3  CA  LEU     2       4.040  -3.792   0.000          0.000
+ATOM      4  CB  LEU     2       4.234  -5.689   0.354          0.000
+ATOM      5  CA  TYR     3       1.502  -4.124  -2.809          0.000
+ATOM      6  CB  TYR     3       2.101  -3.253  -5.057          0.000
+ATOM      7  CA  ILE     4       2.774  -7.546  -3.865          0.000
+ATOM      8  CB  ILE     4       4.061  -7.784  -5.065          0.000
+ATOM      9  CA  GLN     5       0.620  -9.342  -1.301          0.000
+ATOM     10  CB  GLN     5       0.899  -9.097   0.908          0.000
+ATOM     11  CA  TRP     6      -1.151  -6.094  -0.432          0.000
+ATOM     12  CB  TRP     6      -2.106  -5.586  -2.802          0.000
+ATOM     13  CA  LEU     7       0.570  -4.649   2.632          0.000
+ATOM     14  CB  LEU     7       1.762  -4.451   4.149          0.000
+ATOM     15  CA  LYS     8      -1.103  -1.271   2.149          0.000
+ATOM     16  CB  LYS     8       0.205  -0.869   0.008          0.000
+ATOM     17  CA  ASP     9      -4.448  -2.468   3.499          0.000
+ATOM     18  CB  ASP     9      -4.219  -4.159   3.582          0.000
+ATOM     19  CA  GLY    10      -3.354  -2.069   7.116          0.000
+ATOM     20  CA  GLY    11      -2.323  -5.706   7.502          0.000
+ATOM     21  CA  PRO    12      -1.230  -8.055   4.722          0.000
+ATOM     22  CB  PRO    12      -0.900  -8.795   5.796          0.000
+ATOM     23  CA  SER    13      -3.572  -8.305   1.740          0.000
+ATOM     24  CB  SER    13      -4.054  -7.471   1.111          0.000
+ATOM     25  CA  SER    14      -3.544 -10.817  -1.110          0.000
+ATOM     26  CB  SER    14      -4.258 -11.701  -0.938          0.000
+ATOM     27  CA  GLY    15      -4.863  -9.874  -4.547          0.000
+ATOM     28  CA  ARG    16      -8.512  -9.321  -5.449          0.000
+ATOM     29  CB  ARG    16      -6.998  -7.161  -6.919          0.000
+ATOM     30  CA  PRO    17     -11.536 -10.885  -3.760          0.000
+ATOM     31  CB  PRO    17     -12.057  -9.715  -4.169          0.000
+ATOM     32  CA  PRO    18     -12.443 -14.458  -4.683          0.000
+ATOM     33  CB  PRO    18     -12.314 -14.623  -3.354          0.000
+ATOM     34  CA  PRO    19     -15.554 -15.005  -6.795          0.000
+ATOM     35  CB  PRO    19     -14.772 -15.549  -7.745          0.000
+ATOM     36  CA  SER    20     -16.800 -17.836  -4.587          0.000
+ATOM     37  CB  SER    20     -15.991 -18.564  -4.214          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