File: loop.pdb

package info (click to toggle)
cp2k 2025.2-3
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 372,052 kB
  • sloc: fortran: 963,262; ansic: 64,495; f90: 21,676; python: 14,419; sh: 11,382; xml: 2,173; makefile: 953; pascal: 845; perl: 492; cpp: 345; lisp: 297; csh: 16
file content (133 lines) | stat: -rw-r--r-- 7,233 bytes parent folder | download | duplicates (10)
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
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
REMARK  ACE                                                         
ATOM      1 1HH3 ACE     1      20.882  40.384  14.147
ATOM      2  CH3 ACE     1      20.147  40.139  13.379
ATOM      3 2HH3 ACE     1      20.054  40.966  12.674
ATOM      4 3HH3 ACE     1      19.175  39.966  13.842
ATOM      5  C   ACE     1      20.576  38.890  12.615
ATOM      6  O   ACE     1      21.660  38.350  12.831
ATOM      7  N   CYS     2      19.718  38.480  11.674
ATOM      8  H   CYS     2      18.846  38.980  11.565
ATOM      9  CA  CYS     2      19.933  37.353  10.785
ATOM     10  HA  CYS     2      20.158  37.738   9.793
ATOM     11  CB  CYS     2      21.121  36.504  11.242
ATOM     12 2HB  CYS     2      21.767  37.094  11.891
ATOM     13 3HB  CYS     2      20.750  35.633  11.782
ATOM     14  SG  CYS     2      22.069  35.959   9.792
ATOM     15  C   CYS     2      18.640  36.554  10.723
ATOM     16  O   CYS     2      18.056  36.243  11.759
ATOM     17  N   GLY     3      18.161  36.270   9.517
ATOM     18  H   GLY     3      18.646  36.578   8.684
ATOM     19  CA  GLY     3      16.917  35.554   9.368
ATOM     20 2HA  GLY     3      16.211  35.880  10.133
ATOM     21 3HA  GLY     3      16.501  35.727   8.377
ATOM     22  C   GLY     3      17.178  34.068   9.539
ATOM     23  O   GLY     3      18.310  33.617   9.378
ATOM     24  N   GLY     4      16.117  33.303   9.793
ATOM     25  H   GLY     4      15.207  33.723   9.914
ATOM     26  CA  GLY     4      16.196  31.861   9.754
ATOM     27 2HA  GLY     4      17.073  31.559   9.183
ATOM     28 3HA  GLY     4      16.288  31.465  10.764
ATOM     29  C   GLY     4      14.940  31.297   9.107
ATOM     30  O   GLY     4      14.176  32.034   8.484
ATOM     31  N   GLY     5      14.772  29.976   9.175
ATOM     32  H   GLY     5      15.441  29.402   9.667
ATOM     33  CA  GLY     5      13.685  29.304   8.496
ATOM     34 2HA  GLY     5      13.456  28.359   8.988
ATOM     35 3HA  GLY     5      12.808  29.953   8.491
ATOM     36  C   GLY     5      14.105  29.021   7.062
ATOM     37  O   GLY     5      14.745  29.860   6.427
ATOM     38  N   GLY     6      13.803  27.818   6.569
ATOM     39  H   GLY     6      13.293  27.145   7.126
ATOM     40  CA  GLY     6      14.156  27.442   5.211
ATOM     41 2HA  GLY     6      13.735  26.467   4.975
ATOM     42 3HA  GLY     6      13.767  28.181   4.508
ATOM     43  C   GLY     6      15.668  27.378   5.051
ATOM     44  O   GLY     6      16.399  27.248   6.035
ATOM     45  N   GLY     7      16.125  27.418   3.799
ATOM     46  H   GLY     7      15.476  27.507   3.022
ATOM     47  CA  GLY     7      17.535  27.313   3.484
ATOM     48 2HA  GLY     7      17.762  27.903   2.599
ATOM     49 3HA  GLY     7      18.138  27.661   4.325
ATOM     50  C   GLY     7      17.885  25.867   3.180
ATOM     51  O   GLY     7      17.003  25.016   3.087
ATOM     52  N   GLY     8      19.180  25.600   2.995
ATOM     53  H   GLY     8      19.874  26.323   3.113
ATOM     54  CA  GLY     8      19.638  24.252   2.731
ATOM     55 2HA  GLY     8      20.618  24.121   3.196
ATOM     56 3HA  GLY     8      18.919  23.540   3.139
ATOM     57  C   GLY     8      19.775  23.998   1.233
ATOM     58  O   GLY     8      19.632  22.854   0.802
ATOM     59  N   GLY     9      19.889  25.054   0.420
ATOM     60  H   GLY     9      19.915  24.896  -0.576
ATOM     61  CA  GLY     9      20.135  26.407   0.879
ATOM     62 2HA  GLY     9      20.546  26.389   1.888
ATOM     63 3HA  GLY     9      20.840  26.886   0.198
ATOM     64  C   GLY     9      18.852  27.224   0.880
ATOM     65  O   GLY     9      17.814  26.754   1.344
ATOM     66  N   GLY    10      18.948  28.486   0.459
ATOM     67  H   GLY    10      18.127  29.072   0.452
ATOM     68  CA  GLY    10      20.164  29.011  -0.139
ATOM     69 2HA  GLY    10      20.866  28.201  -0.343
ATOM     70 3HA  GLY    10      19.912  29.514  -1.074
ATOM     71  C   GLY    10      20.843  30.039   0.760
ATOM     72  O   GLY    10      20.386  30.306   1.870
ATOM     73  N   GLY    11      21.911  30.653   0.241
ATOM     74  H   GLY    11      22.407  31.352   0.775
ATOM     75  CA  GLY    11      22.351  30.377  -1.114
ATOM     76 2HA  GLY    11      22.207  29.318  -1.334
ATOM     77 3HA  GLY    11      21.728  30.944  -1.806
ATOM     78  C   GLY    11      23.813  30.754  -1.335
ATOM     79  O   GLY    11      24.519  31.135  -0.400
ATOM     80  N   GLY    12      24.260  30.606  -2.586
ATOM     81  H   GLY    12      23.618  30.288  -3.297
ATOM     82  CA  GLY    12      25.632  30.850  -2.993
ATOM     83 2HA  GLY    12      26.315  30.661  -2.165
ATOM     84 3HA  GLY    12      25.885  30.211  -3.841
ATOM     85  C   GLY    12      25.805  32.293  -3.437
ATOM     86  O   GLY    12      24.856  33.075  -3.415
ATOM     87  N   GLY    13      27.021  32.657  -3.844
ATOM     88  H   GLY    13      27.171  33.601  -4.169
ATOM     89  CA  GLY    13      28.154  31.748  -3.877
ATOM     90 2HA  GLY    13      27.801  30.719  -3.906
ATOM     91 3HA  GLY    13      28.768  31.984  -4.746
ATOM     92  C   GLY    13      29.005  31.918  -2.629
ATOM     93  O   GLY    13      29.910  31.128  -2.371
ATOM     94  N   GLY    14      28.653  32.905  -1.806
ATOM     95  H   GLY    14      27.908  33.526  -2.068
ATOM     96  CA  GLY    14      29.260  33.050  -0.500
ATOM     97 2HA  GLY    14      30.023  32.278  -0.369
ATOM     98 3HA  GLY    14      29.721  34.034  -0.430
ATOM     99  C   GLY    14      28.189  32.935   0.577
ATOM    100  O   GLY    14      26.997  33.023   0.275
ATOM    101  N   GLY    15      28.609  32.862   1.840
ATOM    102  H   GLY    15      29.597  32.851   2.043
ATOM    103  CA  GLY    15      27.684  32.941   2.956
ATOM    104 2HA  GLY    15      26.744  32.446   2.707
ATOM    105 3HA  GLY    15      28.124  32.467   3.835
ATOM    106  C   GLY    15      27.425  34.412   3.258
ATOM    107  O   GLY    15      28.247  35.255   2.907
ATOM    108  N   GLY    16      26.293  34.733   3.897
ATOM    109  H   GLY    16      25.648  34.010   4.182
ATOM    110  CA  GLY    16      25.977  36.111   4.222
ATOM    111 2HA  GLY    16      26.878  36.721   4.161
ATOM    112 3HA  GLY    16      25.261  36.497   3.500
ATOM    113  C   GLY    16      25.350  36.217   5.603
ATOM    114  O   GLY    16      24.686  35.290   6.059
ATOM    115  N   CYS    17      25.483  37.392   6.222
ATOM    116  H   CYS    17      26.024  38.126   5.785
ATOM    117  CA  CYS    17      24.840  37.703   7.481
ATOM    118  HA  CYS    17      24.128  38.510   7.317
ATOM    119  CB  CYS    17      24.073  36.496   8.017
ATOM    120 2HB  CYS    17      23.453  36.080   7.223
ATOM    121 3HB  CYS    17      24.774  35.737   8.366
ATOM    122  SG  CYS    17      23.012  37.054   9.382
ATOM    123  C   CYS    17      25.901  38.168   8.469
ATOM    124  O   CYS    17      27.089  38.150   8.157
ATOM    125  N   NME    18      25.492  38.429   9.713
ATOM    126  H   NME    18      24.508  38.396   9.941
ATOM    127  CH3 NME    18      26.427  38.688  10.785
ATOM    128 1HH3 NME    18      27.445  38.668  10.398
ATOM    129 2HH3 NME    18      26.215  39.664  11.219
ATOM    130 3HH3 NME    18      26.314  37.917  11.547
TER   
END