File: SideChainPlacementProcessor_test_output_1.pdb

package info (click to toggle)
ball 1.5.0%2Bgit20180813.37fc53c-3
  • links: PTS, VCS
  • area: main
  • in suites: buster
  • size: 239,848 kB
  • sloc: cpp: 326,149; ansic: 4,208; python: 2,303; yacc: 1,778; lex: 1,099; xml: 958; sh: 322; makefile: 93
file content (81 lines) | stat: -rw-r--r-- 6,484 bytes parent folder | download | duplicates (8)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
ATOM      1  N   ALA C   1      -1.450   0.000   0.000  1.00                 N  
ATOM      2  CA  ALA C   1       0.000   0.000   0.000  1.00                 C  
ATOM      3  C   ALA C   1       0.495   0.000   1.437  1.00                 C  
ATOM      4  O   ALA C   1       1.235  -0.911   1.838  1.00                 O  
ATOM      5 1H   ALA C   1      -1.900   0.000  -0.779  1.00                 H  
ATOM      6 2H   ALA C   1      -1.900   0.675   0.390  1.00                 H  
ATOM      7 3H   ALA C   1      -1.900  -0.675   0.390  1.00                 H  
ATOM      8  CB  ALA C   1       0.530   1.202  -0.766  1.00                 C  
ATOM      9  N   ARG C   2       0.133   0.980   2.268  1.00                 N  
ATOM     10  CA  ARG C   2       0.605   0.980   3.639  1.00                 C  
ATOM     11  C   ARG C   2       0.414  -0.408   4.228  1.00                 C  
ATOM     12  O   ARG C   2       1.389  -1.031   4.675  1.00                 O  
ATOM     13  H   ARG C   2      -0.404   1.641   1.977  1.00                 H  
ATOM     14  CB  ARG C   2      -0.136   2.037   4.461  1.00                 C  
ATOM     15  CD  ARG C   2      -0.530   3.117   6.691  1.00                 C  
ATOM     16  HE  ARG C   2      -2.096   1.867   6.614  1.00                 H  
ATOM     17  NE  ARG C   2      -1.924   2.691   6.792  1.00                 N  
ATOM     18  CG  ARG C   2       0.314   2.124   5.910  1.00                 C  
ATOM     19  CZ  ARG C   2      -2.927   3.492   7.138  1.00                 C  
ATOM     20 1HH1 ARG C   2      -4.316   2.190   7.022  1.00                 H  
ATOM     21 2HH1 ARG C   2      -4.812   3.535   7.427  1.00                 H  
ATOM     22  NH1 ARG C   2      -4.163   3.017   7.203  1.00                 N  
ATOM     23 1HH2 ARG C   2      -1.889   5.075   7.375  1.00                 H  
ATOM     24 2HH2 ARG C   2      -3.340   5.285   7.641  1.00                 H  
ATOM     25  NH2 ARG C   2      -2.691   4.767   7.418  1.00                 N  
ATOM     26  N   ASN C   3      -0.802  -0.956   4.264  1.00                 N  
ATOM     27  CA  ASN C   3      -0.984  -2.281   4.826  1.00                 C  
ATOM     28  C   ASN C   3       0.078  -3.209   4.259  1.00                 C  
ATOM     29  O   ASN C   3       0.855  -3.802   5.022  1.00                 O  
ATOM     30  H   ASN C   3      -1.509  -0.504   3.940  1.00                 H  
ATOM     31  CB  ASN C   3      -2.397  -2.794   4.541  1.00                 C  
ATOM     32  CG  ASN C   3      -3.450  -2.098   5.380  1.00                 C  
ATOM     33  OD1 ASN C   3      -3.138  -1.486   6.402  1.00                 O  
ATOM     34 1HD2 ASN C   3      -5.367  -1.793   5.411  1.00                 H  
ATOM     35 2HD2 ASN C   3      -4.888  -2.646   4.197  1.00                 H  
ATOM     36  ND2 ASN C   3      -4.703  -2.188   4.950  1.00                 N  
ATOM     37  N   ASP C   4       0.173  -3.386   2.939  1.00                 N  
ATOM     38  CA  ASP C   4       1.186  -4.271   2.398  1.00                 C  
ATOM     39  C   ASP C   4       2.519  -3.964   3.062  1.00                 C  
ATOM     40  O   ASP C   4       3.127  -4.854   3.674  1.00                 O  
ATOM     41  H   ASP C   4      -0.391  -2.956   2.385  1.00                 H  
ATOM     42  CB  ASP C   4       1.276  -4.116   0.879  1.00                 C  
ATOM     43  CG  ASP C   4       0.076  -4.701   0.161  1.00                 C  
ATOM     44  OD1 ASP C   4      -0.687  -5.457   0.798  1.00                 O  
ATOM     45  OD2 ASP C   4      -0.102  -4.403  -1.039  1.00                 O  
ATOM     46  N   CYS C   5       3.034  -2.734   2.986  1.00                 N  
ATOM     47  CA  CYS C   5       4.305  -2.441   3.619  1.00                 C  
ATOM     48  C   CYS C   5       4.296  -3.003   5.031  1.00                 C  
ATOM     49  O   CYS C   5       5.158  -3.824   5.377  1.00                 O  
ATOM     50  H   CYS C   5       2.593  -2.087   2.542  1.00                 H  
ATOM     51  CB  CYS C   5       4.566  -0.933   3.625  1.00                 C  
ATOM     52  SG  CYS C   5       6.148  -0.452   4.355  1.00                 S  
ATOM     53  N   GLN C   6       3.360  -2.612   5.899  1.00                 N  
ATOM     54  CA  GLN C   6       3.351  -3.148   7.246  1.00                 C  
ATOM     55  C   GLN C   6       3.516  -4.657   7.179  1.00                 C  
ATOM     56  O   GLN C   6       4.463  -5.204   7.764  1.00                 O  
ATOM     57  H   GLN C   6       2.735  -2.016   5.648  1.00                 H  
ATOM     58  CB  GLN C   6       2.057  -2.764   7.967  1.00                 C  
ATOM     59  CD  GLN C   6       3.034  -2.490  10.280  1.00                 C  
ATOM     60  CG  GLN C   6       2.005  -3.199   9.422  1.00                 C  
ATOM     61  OE1 GLN C   6       3.091  -1.260  10.308  1.00                 O  
ATOM     62 1HE2 GLN C   6       4.481  -2.894  11.510  1.00                 H  
ATOM     63 2HE2 GLN C   6       3.776  -4.160  10.935  1.00                 H  
ATOM     64  NE2 GLN C   6       3.851  -3.264  10.984  1.00                 N  
ATOM     65  N   GLU C   7       2.642  -5.395   6.491  1.00                 N  
ATOM     66  CA  GLU C   7       2.800  -6.835   6.427  1.00                 C  
ATOM     67  C   GLU C   7       4.248  -7.160   6.101  1.00                 C  
ATOM     68  O   GLU C   7       4.913  -7.867   6.873  1.00                 O  
ATOM     69  H   GLU C   7       1.954  -4.998   6.067  1.00                 H  
ATOM     70  CB  GLU C   7       1.851  -7.432   5.386  1.00                 C  
ATOM     71  CD  GLU C   7       0.926  -9.507   4.282  1.00                 C  
ATOM     72  CG  GLU C   7       1.911  -8.948   5.289  1.00                 C  
ATOM     73  OE1 GLU C   7       0.205  -8.707   3.648  1.00                 O  
ATOM     74  OE2 GLU C   7       0.873 -10.745   4.125  1.00                 O  
ATOM     75  N   GLY C   8       4.805  -6.685   4.985  1.00                 N  
ATOM     76  CA  GLY C   8       6.187  -6.995   4.675  1.00                 C  
ATOM     77  C   GLY C   8       7.036  -6.765   5.915  1.00                 C  
ATOM     78  O   GLY C   8       6.540  -7.145   6.999  1.00                 O  
ATOM     79  H   GLY C   8       4.322  -6.172   4.425  1.00                 H  
ATOM     80  OXT GLY C   8       8.146  -6.219   5.728  1.00                 O  
TER