
 Ignored line: [DNA OL15]
May 29, 2025 2:14:31 PM ffx.potential.parameters.ForceField addForceFieldType
WARNING:  A force field entry of type TORSION already exists with the key: 0 3 3 0
 The (discarded) old entry: torsion     0     3     3     0   0.156   0.000 3
 The new entry            : torsion     0     3     3     0   5.450 180.000 2

 Parsing: JVM system properties (i.e. command line -Dkey=value pairs).


angle      1      1     35   80.00  120.00
angle      1      1     36   80.00  120.00
angle      1      1     52   50.00  120.00
angle      2      1      2   63.00  120.00
angle      2      1     36   70.00  120.00
angle      2      1     37   70.00  120.00
angle      3      1     29   70.00  111.30
angle      3      1     35   80.00  128.80
angle      8      1     29   70.00  114.10
angle      8      1     35   80.00  125.30
angle      8      1     52   50.00  115.00
angle     14      1     29   70.00  114.10
angle     14      1     35   80.00  125.30
angle     14      1     52   50.00  115.00
angle     15      1     15   63.00  117.00
angle     15      1     28   70.00  116.60
angle     15      1     35   80.00  120.40
angle     15      1     36   80.00  110.00
angle     15      1     37   80.00  115.00
angle     15      1     39   70.00  117.00
angle     15      1     52   50.00  115.00
angle     18      1     28   70.00  116.60
angle     18      1     35   80.00  120.40
angle     18      1     36   80.00  110.00
angle     18      1     39   70.00  117.00
angle     20      1     29   70.00  114.10
angle     20      1     35   80.00  125.30
angle     22      1     29   70.00  114.10
angle     22      1     35   80.00  125.30
angle     26      1     28   70.00  116.60
angle     26      1     35   80.00  120.40
angle     26      1     36   80.00  110.00
angle     28      1     35   80.00  122.90
angle     28      1     53   50.00  120.00
angle     29      1     32   70.00  115.40
angle     29      1     35   80.00  120.60
angle     31      1     32   70.00  118.60
angle     31      1     35   80.00  122.50
angle     32      1     35   80.00  120.90
angle     35      1     35   80.00  126.00
angle     35      1     36   80.00  120.00
angle     35      1     37   80.00  125.00
angle     35      1     52   50.00  120.00
angle     35      1     53   50.00  119.00
angle     36      1     52   50.00  120.00
angle     36      1     53   50.00  107.00
angle     37      1     53   50.00  107.00
angle     39      1     39   80.00  126.00
angle      1      2      2   63.00  120.00
angle      1      2     44   50.00  120.00
angle      2      2      2   63.00  120.00
angle      2      2      3   63.00  120.00
angle      2      2      9   63.00  120.00
angle      2      2     15   70.00  120.00
angle      2      2     26   70.00  120.00
angle      2      2     36   70.00  120.00
angle      2      2     44   50.00  120.00
angle      2      2     52   50.00  120.00
angle      3      2     31   70.00  117.30
angle      3      2     33   70.00  123.50
angle      3      2     44   50.00  120.00
angle      3      2     52   50.00  120.00
angle      8      2     31   70.00  121.50
angle      8      2     33   70.00  120.10
angle      9      2     44   50.00  120.00
angle     14      2     31   70.00  121.50
angle     14      2     33   70.00  120.10
angle     20      2     31   70.00  121.50
angle     20      2     33   70.00  120.10
angle     22      2     31   70.00  121.50
angle     22      2     33   70.00  120.10
angle     29      2     31   70.00  123.30
angle     29      2     33   70.00  116.00
angle     31      2     33   70.00  119.30
angle     33      2     33   70.00  120.00
angle      1      3      3   63.00  119.20
angle      1      3     30   70.00  130.00
angle      2      3      3   63.00  117.30
angle      2      3      9   63.00  116.20
angle      2      3     19   63.00  134.90
angle      2      3     30   70.00  132.40
angle      3      3     30   70.00  110.40
angle      3      3     31   70.00  127.70
angle      3      3     32   70.00  106.20
angle      9      3     19   63.00  108.80
angle     31      3     32   70.00  126.20
angle     15      4     16   70.00  120.00
angle     15      4     17   70.00  120.00
angle     15      4     29   70.00  120.00
angle     15      4     30   70.00  120.00
angle     16      4     26   70.00  120.00
angle     16      4     29   70.00  120.00
angle     17      4     26   70.00  120.00
angle     17      4     29   70.00  120.00
angle     17      4     30   70.00  120.00
angle     26      4     29   70.00  120.00
angle     26      4     30   70.00  120.00
angle     15      5     36   50.00  109.50
angle     15      5     37   50.00  109.50
angle     15      5     50   50.00  109.50
angle     36      5     50   50.00  109.50
angle     37      5     50   50.00  109.50
angle     50      5     50   35.00  109.50
angle     15      6     36   50.00  109.50
angle     15      6     37   50.00  109.50
angle     15      6     50   50.00  109.50
angle     36      6     50   50.00  109.50
angle     37      6     50   50.00  109.50
angle     50      6     50   35.00  109.50
angle     30      7     32   70.00  113.90
angle     30      7     53   50.00  123.05
angle     32      7     53   50.00  123.05
angle      1      8      8   63.00  120.70
angle      1      8     15   70.00  119.70
angle      1      8     44   50.00  119.70
angle      1      8     52   50.00  119.70
angle      2      8      8   63.00  117.00
angle      2      8     44   50.00  123.30
angle      2      8     52   50.00  123.30
angle      8      8     15   70.00  119.70
angle      8      8     32   70.00  121.20
angle      8      8     37   80.00  125.00
angle      8      8     44   50.00  119.70
angle      8      8     52   50.00  119.70
angle     15      8     44   50.00  120.00
angle     32      8     52   50.00  119.10
angle     37      8     52   50.00  113.00
angle     44      8     44   35.00  120.00
angle      2      9      3   63.00  122.70
angle      2      9     29   70.00  132.80
angle      3      9     29   70.00  104.40
angle     26     10     39   70.00  117.00
angle     39     10     39   80.00  126.00
angle     30     11     32   70.00  113.90
angle     30     11     53   50.00  123.05
angle     32     11     53   50.00  123.05
angle     31     12     31   70.00  129.10
angle     31     12     53   50.00  115.45
angle     29     13     29   70.00  120.00
angle     29     13     30   70.00  120.00
angle     29     13     53   50.00  120.00
angle     30     13     53   50.00  120.00
angle      1     14     14   63.00  120.70
angle      1     14     15   70.00  119.70
angle      1     14     44   50.00  119.70
angle      1     14     52   50.00  119.70
angle      2     14     14   63.00  117.00
angle      2     14     44   50.00  123.30
angle      2     14     52   50.00  123.30
angle      8     14     15   70.00  119.70
angle     14     14     32   70.00  121.20
angle     14     14     37   80.00  125.00
angle     14     14     44   50.00  119.70
angle     14     14     52   50.00  119.70
angle     15     14     44   50.00  120.00
angle     32     14     52   50.00  119.10
angle     37     14     52   50.00  113.00
angle     44     14     44   35.00  120.00
angle      1     15     15   63.00  111.10
angle      1     15     18   63.00  111.10
angle      1     15     28   63.00  110.10
angle      1     15     34   80.00  111.20
angle      1     15     37   60.00  109.50
angle      1     15     45   50.00  109.50
angle      1     15     47   50.00  109.50
angle      1     15     50   50.00  109.50
angle      2     15     15   63.00  114.00
angle      2     15     18   63.00  114.00
angle      2     15     45   50.00  109.50
angle      4     15     15   63.00  113.10
angle      4     15     18   63.00  113.10
angle      4     15     45   50.00  109.50
angle      5     15     15   40.00  109.50
angle      5     15     37   50.00  109.50
angle      5     15     50   50.00  109.50
angle      6     15     15   40.00  109.50
angle      6     15     24   40.00  109.50
angle      6     15     37   50.00  109.50
angle      6     15     50   50.00  109.50
angle      8     15     15   63.00  111.00
angle      8     15     37   50.00  109.50
angle      8     15     45   50.00  109.50
angle      8     15     50   50.00  109.50
angle     14     15     15   63.00  111.00
angle     14     15     37   50.00  109.50
angle     14     15     45   50.00  109.50
angle     14     15     50   50.00  109.50
angle     15     15     15   40.00  109.50
angle     15     15     18   40.00  109.50
angle     15     15     19   63.00  115.60
angle     15     15     24   40.00  109.50
angle     15     15     28   80.00  109.70
angle     15     15     32   50.00  109.50
angle     15     15     33   80.00  111.20
angle     15     15     34   80.00  111.20
angle     15     15     36   50.00  109.50
angle     15     15     37   50.00  109.50
angle     15     15     40   50.00  114.70
angle     15     15     41   50.00  108.60
angle     15     15     45   50.00  109.50
angle     15     15     47   50.00  109.50
angle     15     15     50   50.00  109.50
angle     15     15     51   50.00  109.50
angle     18     15     19   63.00  115.60
angle     18     15     36   50.00  109.50
angle     18     15     40   50.00  114.70
angle     18     15     41   50.00  108.60
angle     18     15     45   50.00  109.50
angle     18     15     50   50.00  109.50
angle     19     15     45   50.00  109.50
angle     20     15     45   50.00  109.50
angle     20     15     50   50.00  109.50
angle     22     15     45   50.00  109.50
angle     22     15     50   50.00  109.50
angle     24     15     36   50.00  109.50
angle     24     15     37   50.00  109.50
angle     24     15     45   50.00  109.50
angle     24     15     50   50.00  109.50
angle     26     15     45   50.00  109.50
angle     27     15     45   50.00  109.50
angle     28     15     50   50.00  109.50
angle     32     15     37   50.00  109.50
angle     32     15     50   50.00  109.50
angle     32     15     51   50.00  109.50
angle     33     15     50   50.00  109.50
angle     34     15     47   50.00  109.50
angle     36     15     50   50.00  109.50
angle     37     15     37  160.00  101.00
angle     37     15     50   50.00  109.50
angle     37     15     51   50.00  109.50
angle     40     15     50   50.00  109.50
angle     41     15     50   50.00  109.50
angle     45     15     45   35.00  109.50
angle     47     15     47   35.00  109.50
angle     50     15     50   35.00  109.50
angle     51     15     51   35.00  109.50
angle      4     16     30   70.00  120.00
angle      4     16     52   50.00  120.00
angle     30     16     52   50.00  120.00
angle      4     17     29   70.00  120.00
angle      4     17     52   50.00  120.00
angle     19     17     29   70.00  108.70
angle     19     17     52   50.00  120.00
angle     29     17     52   50.00  120.00
angle      1     18     15   63.00  111.10
angle      1     18     25   63.00  111.10
angle      1     18     26   63.00  111.10
angle      1     18     27   63.00  111.10
angle      1     18     28   63.00  110.10
angle      1     18     34   80.00  111.20
angle      1     18     47   50.00  109.50
angle      1     18     50   50.00  109.50
angle     15     18     28   80.00  109.70
angle     15     18     34   80.00  111.20
angle     15     18     47   50.00  109.50
angle     15     18     50   50.00  109.50
angle     25     18     28   80.00  109.70
angle     25     18     34   80.00  111.20
angle     25     18     47   50.00  109.50
angle     25     18     50   50.00  109.50
angle     26     18     28   80.00  109.70
angle     26     18     34   80.00  111.20
angle     26     18     47   50.00  109.50
angle     26     18     50   50.00  109.50
angle     27     18     28   80.00  109.70
angle     27     18     34   80.00  111.20
angle     27     18     47   50.00  109.50
angle     27     18     50   50.00  109.50
angle     28     18     50   50.00  109.50
angle     34     18     47   50.00  109.50
angle     47     18     47   35.00  109.50
angle     50     18     50   35.00  109.50
angle      3     19     15   70.00  128.60
angle      3     19     17   63.00  106.40
angle      3     19     26   70.00  128.60
angle     15     19     17   70.00  125.00
angle     17     19     26   70.00  125.00
angle      1     20     15   70.00  119.70
angle      1     20     20   63.00  120.70
angle      1     20     44   50.00  119.70
angle      1     20     52   50.00  119.70
angle      2     20     20   63.00  117.00
angle      2     20     44   50.00  123.30
angle      2     20     52   50.00  123.30
angle     15     20     20   70.00  119.70
angle     20     20     32   70.00  121.20
angle     20     20     44   50.00  119.70
angle     20     20     52   50.00  119.70
angle     32     20     52   50.00  119.10
angle     30     21     32   70.00  113.90
angle     30     21     53   50.00  123.05
angle     32     21     53   50.00  123.05
angle      1     22     15   70.00  119.70
angle      1     22     22   63.00  120.70
angle      1     22     44   50.00  119.70
angle      1     22     52   50.00  119.70
angle      2     22     22   63.00  117.00
angle      2     22     44   50.00  123.30
angle      2     22     52   50.00  123.30
angle     15     22     22   70.00  119.70
angle     22     22     32   70.00  121.20
angle     22     22     44   50.00  119.70
angle     22     22     52   50.00  119.70
angle     32     22     52   50.00  119.10
angle     30     23     32   70.00  113.90
angle     30     23     53   50.00  123.05
angle     32     23     53   50.00  123.05
angle     15     24     15   40.00  109.50
angle     15     24     36   50.00  109.50
angle     15     24     37   50.00  109.50
angle     15     24     50   50.00  109.50
angle     36     24     50   50.00  109.50
angle     37     24     50   50.00  109.50
angle     18     25     25   40.00  109.50
angle     18     25     45   50.00  109.50
angle     25     25     25   40.00  109.50
angle     25     25     33   80.00  111.20
angle     25     25     34   80.00  111.20
angle     25     25     45   50.00  109.50
angle     25     25     47   50.00  109.50
angle     25     25     50   50.00  109.50
angle     33     25     50   50.00  109.50
angle     34     25     47   50.00  109.50
angle     45     25     45   35.00  109.50
angle     47     25     47   35.00  109.50
angle     50     25     50   35.00  109.50
angle      1     26     18   63.00  111.10
angle      1     26     26   63.00  111.10
angle      1     26     45   50.00  109.50
angle      2     26     18   63.00  114.00
angle      2     26     45   50.00  109.50
angle      4     26     18   63.00  113.10
angle      4     26     45   50.00  109.50
angle     10     26     18   63.00  111.10
angle     10     26     26   63.00  111.10
angle     10     26     45   50.00  109.50
angle     15     26     27   40.00  109.50
angle     15     26     45   50.00  109.50
angle     18     26     19   63.00  115.60
angle     18     26     26   40.00  109.50
angle     18     26     27   40.00  109.50
angle     18     26     36   50.00  109.50
angle     18     26     40   50.00  114.70
angle     18     26     41   50.00  108.60
angle     18     26     45   50.00  109.50
angle     18     26     50   50.00  109.50
angle     19     26     45   50.00  109.50
angle     26     26     40   50.00  114.70
angle     26     26     45   50.00  109.50
angle     26     26     50   50.00  109.50
angle     27     26     45   50.00  109.50
angle     36     26     50   50.00  109.50
angle     40     26     50   50.00  109.50
angle     41     26     50   50.00  109.50
angle     45     26     45   35.00  109.50
angle     50     26     50   35.00  109.50
angle     15     27     15   40.00  109.50
angle     15     27     18   40.00  109.50
angle     15     27     26   40.00  109.50
angle     15     27     36   50.00  109.50
angle     15     27     45   50.00  109.50
angle     15     27     50   50.00  109.50
angle     18     27     26   40.00  109.50
angle     18     27     36   50.00  109.50
angle     18     27     45   50.00  109.50
angle     18     27     50   50.00  109.50
angle     26     27     45   50.00  109.50
angle     36     27     50   50.00  109.50
angle      1     28     15   50.00  121.90
angle      1     28     18   50.00  121.90
angle      1     28     43   50.00  120.00
angle     15     28     15   50.00  118.00
angle     15     28     18   50.00  118.00
angle     15     28     43   50.00  118.04
angle     18     28     43   50.00  118.04
angle     43     28     43   35.00  120.00
angle      1     29      1   70.00  126.40
angle      1     29      2   70.00  125.20
angle      1     29     43   50.00  116.80
angle      2     29     43   50.00  118.00
angle      4     29     13   70.00  120.00
angle      4     29     42   76.70  125.10
angle      4     29     43   50.00  120.00
angle      9     29     17   70.00  111.60
angle      9     29     43   50.00  123.10
angle     13     29     17   70.00  120.00
angle     13     29     42   76.70  125.10
angle     13     29     43   50.00  120.00
angle     17     29     43   50.00  120.00
angle      3     30      7   70.00  103.80
angle      3     30     11   70.00  103.80
angle      3     30     21   70.00  103.80
angle      3     30     23   70.00  103.80
angle      4     30     13   70.00  117.00
angle     13     30     16   70.00  117.00
angle      1     31      2   70.00  120.50
angle      2     31      3   70.00  112.20
angle      2     31     12   70.00  118.60
angle      3     31     12   70.00  111.00
angle      1     32      8   70.00  121.60
angle      1     32     14   70.00  121.60
angle      1     32     15   70.00  117.60
angle      1     32     20   70.00  121.60
angle      1     32     22   70.00  121.60
angle      1     32     43   50.00  119.20
angle      3     32      7   70.00  105.40
angle      3     32     11   70.00  105.40
angle      3     32     15   70.00  125.80
angle      3     32     21   70.00  105.40
angle      3     32     23   70.00  105.40
angle      3     32     43   50.00  125.80
angle      7     32     15   70.00  128.80
angle      7     32     43   50.00  128.80
angle      8     32     15   70.00  121.20
angle      8     32     43   50.00  121.20
angle     11     32     15   70.00  128.80
angle     11     32     43   50.00  128.80
angle     14     32     15   70.00  121.20
angle     14     32     43   50.00  121.20
angle     15     32     20   70.00  121.20
angle     15     32     21   70.00  128.80
angle     15     32     22   70.00  121.20
angle     15     32     23   70.00  128.80
angle      2     33     15   50.00  123.20
angle      2     33     25   50.00  123.20
angle      2     33     43   50.00  120.00
angle     15     33     43   50.00  118.40
angle     25     33     43   50.00  118.40
angle     43     33     43   35.00  120.00
angle     15     34     15   50.00  109.50
angle     15     34     18   50.00  109.50
angle     15     34     43   50.00  109.50
angle     18     34     43   50.00  109.50
angle     25     34     43   50.00  109.50
angle     43     34     43   35.00  109.50
angle      1     36     46   50.00  113.00
angle      2     36     46   50.00  113.00
angle      5     36     46   55.00  108.50
angle      6     36     46   55.00  108.50
angle     15     36     46   55.00  108.50
angle     24     36     46   55.00  108.50
angle     26     36     46   55.00  108.50
angle     27     36     46   55.00  108.50
angle     42     36     46   45.00  108.50
angle      1     37     15   60.00  117.00
angle      1     37     42  100.00  120.50
angle      5     37     42  100.00  120.50
angle      6     37     42  100.00  120.50
angle      8     37     15   60.00  117.00
angle     14     37     15   60.00  117.00
angle     15     37     15   60.00  109.50
angle     15     37     42  100.00  120.50
angle     24     37     42  100.00  120.50
angle     42     37     42  100.00  120.50
angle     49     38     49  100.00  104.52
angle     15     40     15   62.00   98.90
angle     15     40     26   62.00   98.90
angle     15     40     40   68.00  103.70
angle     26     40     40   68.00  103.70
angle     15     41     48   43.00   96.00
angle     26     41     48   43.00   96.00
angle     48     41     48   35.00   92.07
angle     36     42     37   45.00  102.60
angle     36     42     39   45.00  108.23
angle     37     42     37   45.00  102.60
angle     37     42     39  100.00  108.23
angle     39     42     39  140.00  119.90
angle     38     49     49    0.00  127.74

atom      1     28  N     "Glycine N"                  7   14.0100  3
atom      2     18  CX    "Glycine CA"                 6   12.0100  4
atom      3      1  C     "Glycine C"                  6   12.0100  3
atom      4     43  H     "Glycine HN"                 1    1.0080  1
atom      5     35  O     "Glycine O"                  8   16.0000  1
atom      6     50  H1    "Glycine HA"                 1    1.0080  1
atom      7     28  N     "Alanine N"                  7   14.0100  3
atom      8     18  CX    "Alanine CA"                 6   12.0100  4
atom      9      1  C     "Alanine C"                  6   12.0100  3
atom     10     43  H     "Alanine HN"                 1    1.0080  1
atom     11     35  O     "Alanine O"                  8   16.0000  1
atom     12     50  H1    "Alanine HA"                 1    1.0080  1
atom     13     15  CT    "Alanine CB"                 6   12.0100  4
atom     14     45  HC    "Alanine HB"                 1    1.0080  1
atom     15     28  N     "Valine N"                   7   14.0100  3
atom     16     18  CX    "Valine CA"                  6   12.0100  4
atom     17      1  C     "Valine C"                   6   12.0100  3
atom     18     43  H     "Valine HN"                  1    1.0080  1
atom     19     35  O     "Valine O"                   8   16.0000  1
atom     20     50  H1    "Valine HA"                  1    1.0080  1
atom     21     27  3C    "Valine CB"                  6   12.0100  4
atom     22     45  HC    "Valine HB"                  1    1.0080  1
atom     23     15  CT    "Valine CG1"                 6   12.0100  4
atom     24     45  HC    "Valine HG1"                 1    1.0080  1
atom     25     15  CT    "Valine CG2"                 6   12.0100  4
atom     26     45  HC    "Valine HG2"                 1    1.0080  1
atom     27     28  N     "Leucine N"                  7   14.0100  3
atom     28     18  CX    "Leucine CA"                 6   12.0100  4
atom     29      1  C     "Leucine C"                  6   12.0100  3
atom     30     43  H     "Leucine HN"                 1    1.0080  1
atom     31     35  O     "Leucine O"                  8   16.0000  1
atom     32     50  H1    "Leucine HA"                 1    1.0080  1
atom     33     26  2C    "Leucine CB"                 6   12.0100  4
atom     34     45  HC    "Leucine HB"                 1    1.0080  1
atom     35     27  3C    "Leucine CG"                 6   12.0100  4
atom     36     45  HC    "Leucine HG"                 1    1.0080  1
atom     37     15  CT    "Leucine CD1"                6   12.0100  4
atom     38     45  HC    "Leucine HD1"                1    1.0080  1
atom     39     15  CT    "Leucine CD2"                6   12.0100  4
atom     40     45  HC    "Leucine HD2"                1    1.0080  1
atom     41     28  N     "Isoleucine N"               7   14.0100  3
atom     42     18  CX    "Isoleucine CA"              6   12.0100  4
atom     43      1  C     "Isoleucine C"               6   12.0100  3
atom     44     43  H     "Isoleucine HN"              1    1.0080  1
atom     45     35  O     "Isoleucine O"               8   16.0000  1
atom     46     50  H1    "Isoleucine HA"              1    1.0080  1
atom     47     27  3C    "Isoleucine CB"              6   12.0100  4
atom     48     45  HC    "Isoleucine HB"              1    1.0080  1
atom     49     26  2C    "Isoleucine CG1"             6   12.0100  4
atom     50     45  HC    "Isoleucine HG1"             1    1.0080  1
atom     51     15  CT    "Isoleucine CG2"             6   12.0100  4
atom     52     45  HC    "Isoleucine HG2"             1    1.0080  1
atom     53     15  CT    "Isoleucine CD"              6   12.0100  4
atom     54     45  HC    "Isoleucine HD"              1    1.0080  1
atom     55     28  N     "Serine N"                   7   14.0100  3
atom     56     18  CX    "Serine CA"                  6   12.0100  4
atom     57      1  C     "Serine C"                   6   12.0100  3
atom     58     43  H     "Serine HN"                  1    1.0080  1
atom     59     35  O     "Serine O"                   8   16.0000  1
atom     60     50  H1    "Serine HA"                  1    1.0080  1
atom     61     26  2C    "Serine CB"                  6   12.0100  4
atom     62     50  H1    "Serine HB"                  1    1.0080  1
atom     63     36  OH    "Serine OG"                  8   16.0000  2
atom     64     46  HO    "Serine HG"                  1    1.0080  1
atom     65     28  N     "Threonine N"                7   14.0100  3
atom     66     18  CX    "Threonine CA"               6   12.0100  4
atom     67      1  C     "Threonine C"                6   12.0100  3
atom     68     43  H     "Threonine HN"               1    1.0080  1
atom     69     35  O     "Threonine O"                8   16.0000  1
atom     70     50  H1    "Threonine HA"               1    1.0080  1
atom     71     27  3C    "Threonine CB"               6   12.0100  4
atom     72     50  H1    "Threonine HB"               1    1.0080  1
atom     73     36  OH    "Threonine OG1"              8   16.0000  2
atom     74     46  HO    "Threonine HG1"              1    1.0080  1
atom     75     15  CT    "Threonine CG2"              6   12.0100  4
atom     76     45  HC    "Threonine HG2"              1    1.0080  1
atom     77     28  N     "Cysteine (-SH) N"           7   14.0100  3
atom     78     18  CX    "Cysteine (-SH) CA"          6   12.0100  4
atom     79      1  C     "Cysteine (-SH) C"           6   12.0100  3
atom     80     43  H     "Cysteine (-SH) HN"          1    1.0080  1
atom     81     35  O     "Cysteine (-SH) O"           8   16.0000  1
atom     82     50  H1    "Cysteine (-SH) HA"          1    1.0080  1
atom     83     26  2C    "Cysteine (-SH) CB"          6   12.0100  4
atom     84     50  H1    "Cysteine (-SH) HB"          1    1.0080  1
atom     85     41  SH    "Cysteine (-SH) SG"         16   32.0600  2
atom     86     48  HS    "Cysteine (-SH) HG"          1    1.0080  1
atom     87     28  N     "Cystine (-SS-) N"           7   14.0100  3
atom     88     18  CX    "Cystine (-SS-) CA"          6   12.0100  4
atom     89      1  C     "Cystine (-SS-) C"           6   12.0100  3
atom     90     43  H     "Cystine (-SS-) HN"          1    1.0080  1
atom     91     35  O     "Cystine (-SS-) O"           8   16.0000  1
atom     92     50  H1    "Cystine (-SS-) HA"          1    1.0080  1
atom     93     26  2C    "Cystine (-SS-) CB"          6   12.0100  4
atom     94     50  H1    "Cystine (-SS-) HB"          1    1.0080  1
atom     95     40  S     "Cystine (-SS-) SG"         16   32.0600  2
atom     96     28  N     "Cysteine Anion N"           7   14.0100  3
atom     97     18  CX    "Cysteine Anion CA"          6   12.0100  4
atom     98      1  C     "Cysteine Anion C"           6   12.0100  3
atom     99     43  H     "Cysteine Anion HN"          1    1.0080  1
atom    100     35  O     "Cysteine Anion O"           8   16.0000  1
atom    101     50  H1    "Cysteine Anion HA"          1    1.0080  1
atom    102     15  CT    "Cysteine Anion CB"          6   12.0100  4
atom    103     50  H1    "Cysteine Anion HB"          1    1.0080  1
atom    104     41  SH    "Cysteine Anion S-"         16   32.0600  1
atom    105     28  N     "Proline N"                  7   14.0100  3
atom    106     18  CX    "Proline CA"                 6   12.0100  4
atom    107      1  C     "Proline C"                  6   12.0100  3
atom    108     35  O     "Proline O"                  8   16.0000  1
atom    109     50  H1    "Proline HA"                 1    1.0080  1
atom    110     15  CT    "Proline CB"                 6   12.0100  4
atom    111     45  HC    "Proline HB"                 1    1.0080  1
atom    112     15  CT    "Proline CG"                 6   12.0100  4
atom    113     45  HC    "Proline HG"                 1    1.0080  1
atom    114     15  CT    "Proline CD"                 6   12.0100  4
atom    115     50  H1    "Proline HD"                 1    1.0080  1
atom    116     28  N     "Phenylalanine N"            7   14.0100  3
atom    117     18  CX    "Phenylalanine CA"           6   12.0100  4
atom    118      1  C     "Phenylalanine C"            6   12.0100  3
atom    119     43  H     "Phenylalanine HN"           1    1.0080  1
atom    120     35  O     "Phenylalanine O"            8   16.0000  1
atom    121     50  H1    "Phenylalanine HA"           1    1.0080  1
atom    122     15  CT    "Phenylalanine CB"           6   12.0100  4
atom    123     45  HC    "Phenylalanine HB"           1    1.0080  1
atom    124      2  CA    "Phenylalanine CG"           6   12.0100  3
atom    125      2  CA    "Phenylalanine CD"           6   12.0100  3
atom    126     44  HA    "Phenylalanine HD"           1    1.0080  1
atom    127      2  CA    "Phenylalanine CE"           6   12.0100  3
atom    128     44  HA    "Phenylalanine HE"           1    1.0080  1
atom    129      2  CA    "Phenylalanine CZ"           6   12.0100  3
atom    130     44  HA    "Phenylalanine HZ"           1    1.0080  1
atom    131     28  N     "Tyrosine N"                 7   14.0100  3
atom    132     18  CX    "Tyrosine CA"                6   12.0100  4
atom    133      1  C     "Tyrosine C"                 6   12.0100  3
atom    134     43  H     "Tyrosine HN"                1    1.0080  1
atom    135     35  O     "Tyrosine O"                 8   16.0000  1
atom    136     50  H1    "Tyrosine HA"                1    1.0080  1
atom    137     15  CT    "Tyrosine CB"                6   12.0100  4
atom    138     45  HC    "Tyrosine HB"                1    1.0080  1
atom    139      2  CA    "Tyrosine CG"                6   12.0100  3
atom    140      2  CA    "Tyrosine CD"                6   12.0100  3
atom    141     44  HA    "Tyrosine HD"                1    1.0080  1
atom    142      2  CA    "Tyrosine CE"                6   12.0100  3
atom    143     44  HA    "Tyrosine HE"                1    1.0080  1
atom    144      1  C     "Tyrosine CZ"                6   12.0100  3
atom    145     36  OH    "Tyrosine OH"                8   16.0000  2
atom    146     46  HO    "Tyrosine HH"                1    1.0080  1
atom    147     28  N     "Tryptophan N"               7   14.0100  3
atom    148     18  CX    "Tryptophan CA"              6   12.0100  4
atom    149      1  C     "Tryptophan C"               6   12.0100  3
atom    150     43  H     "Tryptophan HN"              1    1.0080  1
atom    151     35  O     "Tryptophan O"               8   16.0000  1
atom    152     50  H1    "Tryptophan HA"              1    1.0080  1
atom    153     15  CT    "Tryptophan CB"              6   12.0100  4
atom    154     45  HC    "Tryptophan HB"              1    1.0080  1
atom    155     19  C*    "Tryptophan CG"              6   12.0100  3
atom    156     17  CW    "Tryptophan CD1"             6   12.0100  3
atom    157     52  H4    "Tryptophan HD1"             1    1.0080  1
atom    158      3  CB    "Tryptophan CD2"             6   12.0100  3
atom    159     29  NA    "Tryptophan NE1"             7   14.0100  3
atom    160     43  H     "Tryptophan HE1"             1    1.0080  1
atom    161      9  CN    "Tryptophan CE2"             6   12.0100  3
atom    162      2  CA    "Tryptophan CE3"             6   12.0100  3
atom    163     44  HA    "Tryptophan HE3"             1    1.0080  1
atom    164      2  CA    "Tryptophan CZ2"             6   12.0100  3
atom    165     44  HA    "Tryptophan HZ2"             1    1.0080  1
atom    166      2  CA    "Tryptophan CZ3"             6   12.0100  3
atom    167     44  HA    "Tryptophan HZ3"             1    1.0080  1
atom    168      2  CA    "Tryptophan CH2"             6   12.0100  3
atom    169     44  HA    "Tryptophan HH2"             1    1.0080  1
atom    170     28  N     "Histidine (+) N"            7   14.0100  3
atom    171     18  CX    "Histidine (+) CA"           6   12.0100  4
atom    172      1  C     "Histidine (+) C"            6   12.0100  3
atom    173     43  H     "Histidine (+) HN"           1    1.0080  1
atom    174     35  O     "Histidine (+) O"            8   16.0000  1
atom    175     50  H1    "Histidine (+) HA"           1    1.0080  1
atom    176     15  CT    "Histidine (+) CB"           6   12.0100  4
atom    177     45  HC    "Histidine (+) HB"           1    1.0080  1
atom    178      4  CC    "Histidine (+) CG"           6   12.0100  3
atom    179     29  NA    "Histidine (+) ND1"          7   14.0100  3
atom    180     43  H     "Histidine (+) HD1"          1    1.0080  1
atom    181     17  CW    "Histidine (+) CD2"          6   12.0100  3
atom    182     52  H4    "Histidine (+) HD2"          1    1.0080  1
atom    183     13  CR    "Histidine (+) CE1"          6   12.0100  3
atom    184     53  H5    "Histidine (+) HE1"          1    1.0080  1
atom    185     29  NA    "Histidine (+) NE2"          7   14.0100  3
atom    186     43  H     "Histidine (+) HE2"          1    1.0080  1
atom    187     28  N     "Histidine (HD) N"           7   14.0100  3
atom    188     18  CX    "Histidine (HD) CA"          6   12.0100  4
atom    189      1  C     "Histidine (HD) C"           6   12.0100  3
atom    190     43  H     "Histidine (HD) HN"          1    1.0080  1
atom    191     35  O     "Histidine (HD) O"           8   16.0000  1
atom    192     50  H1    "Histidine (HD) HA"          1    1.0080  1
atom    193     15  CT    "Histidine (HD) CB"          6   12.0100  4
atom    194     45  HC    "Histidine (HD) HB"          1    1.0080  1
atom    195      4  CC    "Histidine (HD) CG"          6   12.0100  3
atom    196     29  NA    "Histidine (HD) ND1"         7   14.0100  3
atom    197     43  H     "Histidine (HD) HD1"         1    1.0080  1
atom    198     16  CV    "Histidine (HD) CD2"         6   12.0100  3
atom    199     52  H4    "Histidine (HD) HD2"         1    1.0080  1
atom    200     13  CR    "Histidine (HD) CE1"         6   12.0100  3
atom    201     53  H5    "Histidine (HD) HE1"         1    1.0080  1
atom    202     30  NB    "Histidine (HD) NE2"         7   14.0100  2
atom    203     28  N     "Histidine (HE) N"           7   14.0100  3
atom    204     18  CX    "Histidine (HE) CA"          6   12.0100  4
atom    205      1  C     "Histidine (HE) C"           6   12.0100  3
atom    206     43  H     "Histidine (HE) HN"          1    1.0080  1
atom    207     35  O     "Histidine (HE) O"           8   16.0000  1
atom    208     50  H1    "Histidine (HE) HA"          1    1.0080  1
atom    209     15  CT    "Histidine (HE) CB"          6   12.0100  4
atom    210     45  HC    "Histidine (HE) HB"          1    1.0080  1
atom    211      4  CC    "Histidine (HE) CG"          6   12.0100  3
atom    212     30  NB    "Histidine (HE) ND1"         7   14.0100  2
atom    213     17  CW    "Histidine (HE) CD2"         6   12.0100  3
atom    214     52  H4    "Histidine (HE) HD2"         1    1.0080  1
atom    215     13  CR    "Histidine (HE) CE1"         6   12.0100  3
atom    216     53  H5    "Histidine (HE) HE1"         1    1.0080  1
atom    217     29  NA    "Histidine (HE) NE2"         7   14.0100  3
atom    218     43  H     "Histidine (HE) HE2"         1    1.0080  1
atom    219     28  N     "Aspartate N"                7   14.0100  3
atom    220     18  CX    "Aspartate CA"               6   12.0100  4
atom    221      1  C     "Aspartate C"                6   12.0100  3
atom    222     43  H     "Aspartate HN"               1    1.0080  1
atom    223     35  O     "Aspartate O"                8   16.0000  1
atom    224     50  H1    "Aspartate HA"               1    1.0080  1
atom    225     26  2C    "Aspartate CB"               6   12.0100  4
atom    226     45  HC    "Aspartate HB"               1    1.0080  1
atom    227     10  CO    "Aspartate CG"               6   12.0100  3
atom    228     39  O2    "Aspartate OD"               8   16.0000  1
atom    229     28  N     "Aspartic Acid N"            7   14.0100  3
atom    230     18  CX    "Aspartic Acid CA"           6   12.0100  4
atom    231      1  C     "Aspartic Acid C"            6   12.0100  3
atom    232     43  H     "Aspartic Acid HN"           1    1.0080  1
atom    233     35  O     "Aspartic Acid O"            8   16.0000  1
atom    234     50  H1    "Aspartic Acid HA"           1    1.0080  1
atom    235     26  2C    "Aspartic Acid CB"           6   12.0100  4
atom    236     45  HC    "Aspartic Acid HB"           1    1.0080  1
atom    237      1  C     "Aspartic Acid CG"           6   12.0100  3
atom    238     35  O     "Aspartic Acid OD1"          8   16.0000  1
atom    239     36  OH    "Aspartic Acid OD2"          8   16.0000  2
atom    240     46  HO    "Aspartic Acid HD2"          1    1.0080  1
atom    241     28  N     "Asparagine N"               7   14.0100  3
atom    242     18  CX    "Asparagine CA"              6   12.0100  4
atom    243      1  C     "Asparagine C"               6   12.0100  3
atom    244     43  H     "Asparagine HN"              1    1.0080  1
atom    245     35  O     "Asparagine O"               8   16.0000  1
atom    246     50  H1    "Asparagine HA"              1    1.0080  1
atom    247     26  2C    "Asparagine CB"              6   12.0100  4
atom    248     45  HC    "Asparagine HB"              1    1.0080  1
atom    249      1  C     "Asparagine CG"              6   12.0100  3
atom    250     35  O     "Asparagine OD1"             8   16.0000  1
atom    251     28  N     "Asparagine ND2"             7   14.0100  3
atom    252     43  H     "Asparagine HD2"             1    1.0080  1
atom    253     28  N     "Glutamate N"                7   14.0100  3
atom    254     18  CX    "Glutamate CA"               6   12.0100  4
atom    255      1  C     "Glutamate C"                6   12.0100  3
atom    256     43  H     "Glutamate HN"               1    1.0080  1
atom    257     35  O     "Glutamate O"                8   16.0000  1
atom    258     50  H1    "Glutamate HA"               1    1.0080  1
atom    259     26  2C    "Glutamate CB"               6   12.0100  4
atom    260     45  HC    "Glutamate HB"               1    1.0080  1
atom    261     26  2C    "Glutamate CG"               6   12.0100  4
atom    262     45  HC    "Glutamate HG"               1    1.0080  1
atom    263     10  CO    "Glutamate CD"               6   12.0100  3
atom    264     39  O2    "Glutamate OE"               8   16.0000  1
atom    265     28  N     "Glutamic Acid N"            7   14.0100  3
atom    266     18  CX    "Glutamic Acid CA"           6   12.0100  4
atom    267      1  C     "Glutamic Acid C"            6   12.0100  3
atom    268     43  H     "Glutamic Acid HN"           1    1.0080  1
atom    269     35  O     "Glutamic Acid O"            8   16.0000  1
atom    270     50  H1    "Glutamic Acid HA"           1    1.0080  1
atom    271     26  2C    "Glutamic Acid CB"           6   12.0100  4
atom    272     45  HC    "Glutamic Acid HB"           1    1.0080  1
atom    273     26  2C    "Glutamic Acid CG"           6   12.0100  4
atom    274     45  HC    "Glutamic Acid HG"           1    1.0080  1
atom    275      1  C     "Glutamic Acid CD"           6   12.0100  3
atom    276     35  O     "Glutamic Acid OE1"          8   16.0000  1
atom    277     36  OH    "Glutamic Acid OE2"          8   16.0000  2
atom    278     46  HO    "Glutamic Acid HE2"          1    1.0080  1
atom    279     28  N     "Glutamine N"                7   14.0100  3
atom    280     18  CX    "Glutamine CA"               6   12.0100  4
atom    281      1  C     "Glutamine C"                6   12.0100  3
atom    282     43  H     "Glutamine HN"               1    1.0080  1
atom    283     35  O     "Glutamine O"                8   16.0000  1
atom    284     50  H1    "Glutamine HA"               1    1.0080  1
atom    285     26  2C    "Glutamine CB"               6   12.0100  4
atom    286     45  HC    "Glutamine HB"               1    1.0080  1
atom    287     26  2C    "Glutamine CG"               6   12.0100  4
atom    288     45  HC    "Glutamine HG"               1    1.0080  1
atom    289      1  C     "Glutamine CD"               6   12.0100  3
atom    290     35  O     "Glutamine OE1"              8   16.0000  1
atom    291     28  N     "Glutamine NE2"              7   14.0100  3
atom    292     43  H     "Glutamine HE2"              1    1.0080  1
atom    293     28  N     "Methionine N"               7   14.0100  3
atom    294     18  CX    "Methionine CA"              6   12.0100  4
atom    295      1  C     "Methionine C"               6   12.0100  3
atom    296     43  H     "Methionine HN"              1    1.0080  1
atom    297     35  O     "Methionine O"               8   16.0000  1
atom    298     50  H1    "Methionine HA"              1    1.0080  1
atom    299     26  2C    "Methionine CB"              6   12.0100  4
atom    300     45  HC    "Methionine HB"              1    1.0080  1
atom    301     26  2C    "Methionine CG"              6   12.0100  4
atom    302     50  H1    "Methionine HG"              1    1.0080  1
atom    303     40  S     "Methionine SD"             16   32.0600  2
atom    304     15  CT    "Methionine CE"              6   12.0100  4
atom    305     50  H1    "Methionine HE"              1    1.0080  1
atom    306     28  N     "Lysine N"                   7   14.0100  3
atom    307     18  CX    "Lysine CA"                  6   12.0100  4
atom    308      1  C     "Lysine C"                   6   12.0100  3
atom    309     43  H     "Lysine HN"                  1    1.0080  1
atom    310     35  O     "Lysine O"                   8   16.0000  1
atom    311     50  H1    "Lysine HA"                  1    1.0080  1
atom    312     25  C8    "Lysine CB"                  6   12.0100  4
atom    313     45  HC    "Lysine HB"                  1    1.0080  1
atom    314     25  C8    "Lysine CG"                  6   12.0100  4
atom    315     45  HC    "Lysine HG"                  1    1.0080  1
atom    316     25  C8    "Lysine CD"                  6   12.0100  4
atom    317     45  HC    "Lysine HD"                  1    1.0080  1
atom    318     25  C8    "Lysine CE"                  6   12.0100  4
atom    319     47  HP    "Lysine HE"                  1    1.0080  1
atom    320     34  N3    "Lysine NZ"                  7   14.0100  4
atom    321     43  H     "Lysine HZ"                  1    1.0080  1
atom    322     28  N     "Lysine (Neutral) N"         7   14.0100  3
atom    323     18  CX    "Lysine (Neutral) CA"        6   12.0100  4
atom    324      1  C     "Lysine (Neutral) C"         6   12.0100  3
atom    325     43  H     "Lysine (Neutral) HN"        1    1.0080  1
atom    326     35  O     "Lysine (Neutral) O"         8   16.0000  1
atom    327     50  H1    "Lysine (Neutral) HA"        1    1.0080  1
atom    328     15  CT    "Lysine (Neutral) CB"        6   12.0100  4
atom    329     45  HC    "Lysine (Neutral) HB"        1    1.0080  1
atom    330     15  CT    "Lysine (Neutral) CG"        6   12.0100  4
atom    331     45  HC    "Lysine (Neutral) HG"        1    1.0080  1
atom    332     15  CT    "Lysine (Neutral) CD"        6   12.0100  4
atom    333     45  HC    "Lysine (Neutral) HD"        1    1.0080  1
atom    334     15  CT    "Lysine (Neutral) CE"        6   12.0100  4
atom    335     47  HP    "Lysine (Neutral) HE"        1    1.0080  1
atom    336     34  N3    "Lysine (Neutral) NZ"        7   14.0100  4
atom    337     43  H     "Lysine (Neutral) HZ"        1    1.0080  1
atom    338     28  N     "Arginine N"                 7   14.0100  3
atom    339     18  CX    "Arginine CA"                6   12.0100  4
atom    340      1  C     "Arginine C"                 6   12.0100  3
atom    341     43  H     "Arginine HN"                1    1.0080  1
atom    342     35  O     "Arginine O"                 8   16.0000  1
atom    343     50  H1    "Arginine HA"                1    1.0080  1
atom    344     25  C8    "Arginine CB"                6   12.0100  4
atom    345     45  HC    "Arginine HB"                1    1.0080  1
atom    346     25  C8    "Arginine CG"                6   12.0100  4
atom    347     45  HC    "Arginine HG"                1    1.0080  1
atom    348     25  C8    "Arginine CD"                6   12.0100  4
atom    349     50  H1    "Arginine HD"                1    1.0080  1
atom    350     33  N2    "Arginine NE"                7   14.0100  3
atom    351     43  H     "Arginine HE"                1    1.0080  1
atom    352      2  CA    "Arginine CZ"                6   12.0100  3
atom    353     33  N2    "Arginine NH"                7   14.0100  3
atom    354     43  H     "Arginine HH"                1    1.0080  1
atom    355     28  N     "Ornithine N"                7   14.0100  3
atom    356     18  CX    "Ornithine CA"               6   12.0100  4
atom    357      1  C     "Ornithine C"                6   12.0100  3
atom    358     43  H     "Ornithine HN"               1    1.0080  1
atom    359     35  O     "Ornithine O"                8   16.0000  1
atom    360     50  H1    "Ornithine HA"               1    1.0080  1
atom    361     25  C8    "Ornithine CB"               6   12.0100  4
atom    362     45  HC    "Ornithine HB"               1    1.0080  1
atom    363     25  C8    "Ornithine CG"               6   12.0100  4
atom    364     45  HC    "Ornithine HG"               1    1.0080  1
atom    365     25  C8    "Ornithine CD"               6   12.0100  4
atom    366     47  HP    "Ornithine HD"               1    1.0080  1
atom    367     34  N3    "Ornithine NE"               7   14.0100  4
atom    368     43  H     "Ornithine HE"               1    1.0080  1
atom    369     28  N     "MethylAlanine N"            7   14.0100  3
atom    370     18  CX    "MethylAlanine CA"           6   12.0100  4
atom    371      1  C     "MethylAlanine C"            6   12.0100  3
atom    372     43  H     "MethylAlanine HN"           1    1.0080  1
atom    373     35  O     "MethylAlanine O"            8   16.0000  1
atom    374     15  CT    "MethylAlanine CB"           6   12.0100  4
atom    375     45  HC    "MethylAlanine HB"           1    1.0080  1
atom    376     28  N     "Pyroglutamate N"            7   14.0100  3
atom    377     18  CX    "Pyroglutamate CA"           6   12.0100  4
atom    378      1  C     "Pyroglutamate C"            6   12.0100  3
atom    379     43  H     "Pyroglutamate HN"           1    1.0080  1
atom    380     35  O     "Pyroglutamate O"            8   16.0000  1
atom    381     50  H1    "Pyroglutamate HA"           1    1.0080  1
atom    382     26  2C    "Pyroglutamate CB"           6   12.0100  4
atom    383     45  HC    "Pyroglutamate HB"           1    1.0080  1
atom    384     26  2C    "Pyroglutamate CG"           6   12.0100  4
atom    385     45  HC    "Pyroglutamate HG"           1    1.0080  1
atom    386      1  C     "Pyroglutamate CD"           6   12.0100  3
atom    387     35  O     "Pyroglutamate OE"           8   16.0000  1
atom    388      1  C     "Formyl C"                   6   12.0100  3
atom    389     43  H     "Formyl H"                   1    1.0080  1
atom    390     35  O     "Formyl O"                   8   16.0000  1
atom    391     15  CT    "Acetyl CA"                  6   12.0100  4
atom    392     45  HC    "Acetyl HA"                  1    1.0080  1
atom    393      1  C     "Acetyl C"                   6   12.0100  3
atom    394     35  O     "Acetyl O"                   8   16.0000  1
atom    395     28  N     "C-Term Amide N"             7   14.0100  3
atom    396     43  H     "C-Term Amide HN"            1    1.0080  1
atom    397     28  N     "N-MeAmide N"                7   14.0100  3
atom    398     43  H     "N-MeAmide HN"               1    1.0080  1
atom    399     15  CT    "N-MeAmide C"                6   12.0100  4
atom    400     50  H1    "N-MeAmide HC"               1    1.0080  1
atom    401     34  N3    "N-Term GLY N"               7   14.0100  4
atom    402     18  CX    "N-Term GLY CA"              6   12.0100  4
atom    403      1  C     "N-Term GLY C"               6   12.0100  3
atom    404     43  H     "N-Term GLY HN"              1    1.0080  1
atom    405     35  O     "N-Term GLY O"               8   16.0000  1
atom    406     47  HP    "N-Term GLY HA"              1    1.0080  1
atom    407     34  N3    "N-Term ALA N"               7   14.0100  4
atom    408     18  CX    "N-Term ALA CA"              6   12.0100  4
atom    409      1  C     "N-Term ALA C"               6   12.0100  3
atom    410     43  H     "N-Term ALA HN"              1    1.0080  1
atom    411     35  O     "N-Term ALA O"               8   16.0000  1
atom    412     47  HP    "N-Term ALA HA"              1    1.0080  1
atom    413     34  N3    "N-Term VAL N"               7   14.0100  4
atom    414     18  CX    "N-Term VAL CA"              6   12.0100  4
atom    415      1  C     "N-Term VAL C"               6   12.0100  3
atom    416     43  H     "N-Term VAL HN"              1    1.0080  1
atom    417     35  O     "N-Term VAL O"               8   16.0000  1
atom    418     47  HP    "N-Term VAL HA"              1    1.0080  1
atom    419     34  N3    "N-Term LEU N"               7   14.0100  4
atom    420     18  CX    "N-Term LEU CA"              6   12.0100  4
atom    421      1  C     "N-Term LEU C"               6   12.0100  3
atom    422     43  H     "N-Term LEU HN"              1    1.0080  1
atom    423     35  O     "N-Term LEU O"               8   16.0000  1
atom    424     47  HP    "N-Term LEU HA"              1    1.0080  1
atom    425     34  N3    "N-Term ILE N"               7   14.0100  4
atom    426     18  CX    "N-Term ILE CA"              6   12.0100  4
atom    427      1  C     "N-Term ILE C"               6   12.0100  3
atom    428     43  H     "N-Term ILE HN"              1    1.0080  1
atom    429     35  O     "N-Term ILE O"               8   16.0000  1
atom    430     47  HP    "N-Term ILE HA"              1    1.0080  1
atom    431     34  N3    "N-Term SER N"               7   14.0100  4
atom    432     18  CX    "N-Term SER CA"              6   12.0100  4
atom    433      1  C     "N-Term SER C"               6   12.0100  3
atom    434     43  H     "N-Term SER HN"              1    1.0080  1
atom    435     35  O     "N-Term SER O"               8   16.0000  1
atom    436     47  HP    "N-Term SER HA"              1    1.0080  1
atom    437     34  N3    "N-Term THR N"               7   14.0100  4
atom    438     18  CX    "N-Term THR CA"              6   12.0100  4
atom    439      1  C     "N-Term THR C"               6   12.0100  3
atom    440     43  H     "N-Term THR HN"              1    1.0080  1
atom    441     35  O     "N-Term THR O"               8   16.0000  1
atom    442     47  HP    "N-Term THR HA"              1    1.0080  1
atom    443     34  N3    "N-Term CYS (-SH) N"         7   14.0100  4
atom    444     18  CX    "N-Term CYS (-SH) CA"        6   12.0100  4
atom    445      1  C     "N-Term CYS (-SH) C"         6   12.0100  3
atom    446     43  H     "N-Term CYS (-SH) HN"        1    1.0080  1
atom    447     35  O     "N-Term CYS (-SH) O"         8   16.0000  1
atom    448     47  HP    "N-Term CYS (-SH) HA"        1    1.0080  1
atom    449     34  N3    "N-Term CYS (-SS-) N"        7   14.0100  4
atom    450     18  CX    "N-Term CYS (-SS-) CA"       6   12.0100  4
atom    451      1  C     "N-Term CYS (-SS-) C"        6   12.0100  3
atom    452     43  H     "N-Term CYS (-SS-) HN"       1    1.0080  1
atom    453     35  O     "N-Term CYS (-SS-) O"        8   16.0000  1
atom    454     47  HP    "N-Term CYS (-SS-) HA"       1    1.0080  1
atom    455     34  N3    "N-Term CYS Anion N"         7   14.0100  4
atom    456     18  CX    "N-Term CYS Anion CA"        6   12.0100  4
atom    457      1  C     "N-Term CYS Anion C"         6   12.0100  3
atom    458     43  H     "N-Term CYS Anion HN"        1    1.0080  1
atom    459     35  O     "N-Term CYS Anion O"         8   16.0000  1
atom    460     47  HP    "N-Term CYS Anion HA"        1    1.0080  1
atom    461     34  N3    "N-Term PRO N"               7   14.0100  4
atom    462     18  CX    "N-Term PRO CA"              6   12.0100  4
atom    463      1  C     "N-Term PRO C"               6   12.0100  3
atom    464     43  H     "N-Term PRO HN"              1    1.0080  1
atom    465     35  O     "N-Term PRO O"               8   16.0000  1
atom    466     47  HP    "N-Term PRO HA"              1    1.0080  1
atom    467     15  CT    "N-Term PRO CD"              6   12.0100  4
atom    468     47  HP    "N-Term PRO HD"              1    1.0080  1
atom    469     34  N3    "N-Term PHE N"               7   14.0100  4
atom    470     18  CX    "N-Term PHE CA"              6   12.0100  4
atom    471      1  C     "N-Term PHE C"               6   12.0100  3
atom    472     43  H     "N-Term PHE HN"              1    1.0080  1
atom    473     35  O     "N-Term PHE O"               8   16.0000  1
atom    474     47  HP    "N-Term PHE HA"              1    1.0080  1
atom    475     34  N3    "N-Term TYR N"               7   14.0100  4
atom    476     18  CX    "N-Term TYR CA"              6   12.0100  4
atom    477      1  C     "N-Term TYR C"               6   12.0100  3
atom    478     43  H     "N-Term TYR HN"              1    1.0080  1
atom    479     35  O     "N-Term TYR O"               8   16.0000  1
atom    480     47  HP    "N-Term TYR HA"              1    1.0080  1
atom    481     34  N3    "N-Term TRP N"               7   14.0100  4
atom    482     18  CX    "N-Term TRP CA"              6   12.0100  4
atom    483      1  C     "N-Term TRP C"               6   12.0100  3
atom    484     43  H     "N-Term TRP HN"              1    1.0080  1
atom    485     35  O     "N-Term TRP O"               8   16.0000  1
atom    486     47  HP    "N-Term TRP HA"              1    1.0080  1
atom    487     34  N3    "N-Term HIS (+) N"           7   14.0100  4
atom    488     18  CX    "N-Term HIS (+) CA"          6   12.0100  4
atom    489      1  C     "N-Term HIS (+) C"           6   12.0100  3
atom    490     43  H     "N-Term HIS (+) HN"          1    1.0080  1
atom    491     35  O     "N-Term HIS (+) O"           8   16.0000  1
atom    492     47  HP    "N-Term HIS (+) HA"          1    1.0080  1
atom    493     34  N3    "N-Term HIS (HD) N"          7   14.0100  4
atom    494     18  CX    "N-Term HIS (HD) CA"         6   12.0100  4
atom    495      1  C     "N-Term HIS (HD) C"          6   12.0100  3
atom    496     43  H     "N-Term HIS (HD) HN"         1    1.0080  1
atom    497     35  O     "N-Term HIS (HD) O"          8   16.0000  1
atom    498     47  HP    "N-Term HIS (HD) HA"         1    1.0080  1
atom    499     34  N3    "N-Term HIS (HE) N"          7   14.0100  4
atom    500     18  CX    "N-Term HIS (HE) CA"         6   12.0100  4
atom    501      1  C     "N-Term HIS (HE) C"          6   12.0100  3
atom    502     43  H     "N-Term HIS (HE) HN"         1    1.0080  1
atom    503     35  O     "N-Term HIS (HE) O"          8   16.0000  1
atom    504     47  HP    "N-Term HIS (HE) HA"         1    1.0080  1
atom    505     34  N3    "N-Term ASP N"               7   14.0100  4
atom    506     18  CX    "N-Term ASP CA"              6   12.0100  4
atom    507      1  C     "N-Term ASP C"               6   12.0100  3
atom    508     43  H     "N-Term ASP HN"              1    1.0080  1
atom    509     35  O     "N-Term ASP O"               8   16.0000  1
atom    510     47  HP    "N-Term ASP HA"              1    1.0080  1
atom    511     34  N3    "N-Term ASH N"               7   14.0100  4
atom    512     18  CX    "N-Term ASH CA"              6   12.0100  4
atom    513      1  C     "N-Term ASH C"               6   12.0100  3
atom    514     43  H     "N-Term ASH HN"              1    1.0080  1
atom    515     35  O     "N-Term ASH O"               8   16.0000  1
atom    516     47  HP    "N-Term ASH HA"              1    1.0080  1
atom    517     34  N3    "N-Term ASN N"               7   14.0100  4
atom    518     18  CX    "N-Term ASN CA"              6   12.0100  4
atom    519      1  C     "N-Term ASN C"               6   12.0100  3
atom    520     43  H     "N-Term ASN HN"              1    1.0080  1
atom    521     35  O     "N-Term ASN O"               8   16.0000  1
atom    522     47  HP    "N-Term ASN HA"              1    1.0080  1
atom    523     34  N3    "N-Term GLU N"               7   14.0100  4
atom    524     18  CX    "N-Term GLU CA"              6   12.0100  4
atom    525      1  C     "N-Term GLU C"               6   12.0100  3
atom    526     43  H     "N-Term GLU HN"              1    1.0080  1
atom    527     35  O     "N-Term GLU O"               8   16.0000  1
atom    528     47  HP    "N-Term GLU HA"              1    1.0080  1
atom    529     34  N3    "N-Term GLH N"               7   14.0100  4
atom    530     18  CX    "N-Term GLH CA"              6   12.0100  4
atom    531      1  C     "N-Term GLH C"               6   12.0100  3
atom    532     43  H     "N-Term GLH HN"              1    1.0080  1
atom    533     35  O     "N-Term GLH O"               8   16.0000  1
atom    534     47  HP    "N-Term GLH HA"              1    1.0080  1
atom    535     34  N3    "N-Term GLN N"               7   14.0100  4
atom    536     18  CX    "N-Term GLN CA"              6   12.0100  4
atom    537      1  C     "N-Term GLN C"               6   12.0100  3
atom    538     43  H     "N-Term GLN HN"              1    1.0080  1
atom    539     35  O     "N-Term GLN O"               8   16.0000  1
atom    540     47  HP    "N-Term GLN HA"              1    1.0080  1
atom    541     34  N3    "N-Term MET N"               7   14.0100  4
atom    542     18  CX    "N-Term MET CA"              6   12.0100  4
atom    543      1  C     "N-Term MET C"               6   12.0100  3
atom    544     43  H     "N-Term MET HN"              1    1.0080  1
atom    545     35  O     "N-Term MET O"               8   16.0000  1
atom    546     47  HP    "N-Term MET HA"              1    1.0080  1
atom    547     34  N3    "N-Term LYS N"               7   14.0100  4
atom    548     18  CX    "N-Term LYS CA"              6   12.0100  4
atom    549      1  C     "N-Term LYS C"               6   12.0100  3
atom    550     43  H     "N-Term LYS HN"              1    1.0080  1
atom    551     35  O     "N-Term LYS O"               8   16.0000  1
atom    552     47  HP    "N-Term LYS HA"              1    1.0080  1
atom    553     34  N3    "N-Term LYS (Neut) N"        7   14.0100  4
atom    554     18  CX    "N-Term LYS (Neut) CA"       6   12.0100  4
atom    555      1  C     "N-Term LYS (Neut) C"        6   12.0100  3
atom    556     43  H     "N-Term LYS (Neut) HN"       1    1.0080  1
atom    557     35  O     "N-Term LYS (Neut) O"        8   16.0000  1
atom    558     47  HP    "N-Term LYS (Neut) HA"       1    1.0080  1
atom    559     34  N3    "N-Term ARG N"               7   14.0100  4
atom    560     18  CX    "N-Term ARG CA"              6   12.0100  4
atom    561      1  C     "N-Term ARG C"               6   12.0100  3
atom    562     43  H     "N-Term ARG HN"              1    1.0080  1
atom    563     35  O     "N-Term ARG O"               8   16.0000  1
atom    564     47  HP    "N-Term ARG HA"              1    1.0080  1
atom    565     34  N3    "N-Term ORN N"               7   14.0100  4
atom    566     18  CX    "N-Term ORN CA"              6   12.0100  4
atom    567      1  C     "N-Term ORN C"               6   12.0100  3
atom    568     43  H     "N-Term ORN HN"              1    1.0080  1
atom    569     35  O     "N-Term ORN O"               8   16.0000  1
atom    570     47  HP    "N-Term ORN HA"              1    1.0080  1
atom    571     34  N3    "N-Term AIB N"               7   14.0100  4
atom    572     18  CX    "N-Term AIB CA"              6   12.0100  4
atom    573      1  C     "N-Term AIB C"               6   12.0100  3
atom    574     43  H     "N-Term AIB HN"              1    1.0080  1
atom    575     35  O     "N-Term AIB O"               8   16.0000  1
atom    576     28  N     "C-Term GLY N"               7   14.0100  3
atom    577     18  CX    "C-Term GLY CA"              6   12.0100  4
atom    578      1  C     "C-Term GLY C"               6   12.0100  3
atom    579     43  H     "C-Term GLY HN"              1    1.0080  1
atom    580     39  O2    "C-Term GLY OXT"             8   16.0000  1
atom    581     50  H1    "C-Term GLY HA"              1    1.0080  1
atom    582     28  N     "C-Term ALA N"               7   14.0100  3
atom    583     18  CX    "C-Term ALA CA"              6   12.0100  4
atom    584      1  C     "C-Term ALA C"               6   12.0100  3
atom    585     43  H     "C-Term ALA HN"              1    1.0080  1
atom    586     39  O2    "C-Term ALA OXT"             8   16.0000  1
atom    587     50  H1    "C-Term ALA HA"              1    1.0080  1
atom    588     28  N     "C-Term VAL N"               7   14.0100  3
atom    589     18  CX    "C-Term VAL CA"              6   12.0100  4
atom    590      1  C     "C-Term VAL C"               6   12.0100  3
atom    591     43  H     "C-Term VAL HN"              1    1.0080  1
atom    592     39  O2    "C-Term VAL OXT"             8   16.0000  1
atom    593     50  H1    "C-Term VAL HA"              1    1.0080  1
atom    594     28  N     "C-Term LEU N"               7   14.0100  3
atom    595     18  CX    "C-Term LEU CA"              6   12.0100  4
atom    596      1  C     "C-Term LEU C"               6   12.0100  3
atom    597     43  H     "C-Term LEU HN"              1    1.0080  1
atom    598     39  O2    "C-Term LEU OXT"             8   16.0000  1
atom    599     50  H1    "C-Term LEU HA"              1    1.0080  1
atom    600     28  N     "C-Term ILE N"               7   14.0100  3
atom    601     18  CX    "C-Term ILE CA"              6   12.0100  4
atom    602      1  C     "C-Term ILE C"               6   12.0100  3
atom    603     43  H     "C-Term ILE HN"              1    1.0080  1
atom    604     39  O2    "C-Term ILE OXT"             8   16.0000  1
atom    605     50  H1    "C-Term ILE HA"              1    1.0080  1
atom    606     28  N     "C-Term SER N"               7   14.0100  3
atom    607     18  CX    "C-Term SER CA"              6   12.0100  4
atom    608      1  C     "C-Term SER C"               6   12.0100  3
atom    609     43  H     "C-Term SER HN"              1    1.0080  1
atom    610     39  O2    "C-Term SER OXT"             8   16.0000  1
atom    611     50  H1    "C-Term SER HA"              1    1.0080  1
atom    612     28  N     "C-Term THR N"               7   14.0100  3
atom    613     18  CX    "C-Term THR CA"              6   12.0100  4
atom    614      1  C     "C-Term THR C"               6   12.0100  3
atom    615     43  H     "C-Term THR HN"              1    1.0080  1
atom    616     39  O2    "C-Term THR OXT"             8   16.0000  1
atom    617     50  H1    "C-Term THR HA"              1    1.0080  1
atom    618     28  N     "C-Term CYS (-SH) N"         7   14.0100  3
atom    619     18  CX    "C-Term CYS (-SH) CA"        6   12.0100  4
atom    620      1  C     "C-Term CYS (-SH) C"         6   12.0100  3
atom    621     43  H     "C-Term CYS (-SH) HN"        1    1.0080  1
atom    622     39  O2    "C-Term CYS (-SH) OXT"       8   16.0000  1
atom    623     50  H1    "C-Term CYS (-SH) HA"        1    1.0080  1
atom    624     28  N     "C-Term CYS (-SS-) N"        7   14.0100  3
atom    625     18  CX    "C-Term CYS (-SS-) CA"       6   12.0100  4
atom    626      1  C     "C-Term CYS (-SS-) C"        6   12.0100  3
atom    627     43  H     "C-Term CYS (-SS-) HN"       1    1.0080  1
atom    628     39  O2    "C-Term CYS (-SS-) OXT"      8   16.0000  1
atom    629     50  H1    "C-Term CYS (-SS-) HA"       1    1.0080  1
atom    630     28  N     "C-Term CYS Anion N"         7   14.0100  3
atom    631     18  CX    "C-Term CYS Anion CA"        6   12.0100  4
atom    632      1  C     "C-Term CYS Anion C"         6   12.0100  3
atom    633     43  H     "C-Term CYS Anion HN"        1    1.0080  1
atom    634     39  O2    "C-Term CYS Anion OXT"       8   16.0000  1
atom    635     50  H1    "C-Term CYS Anion HA"        1    1.0080  1
atom    636     28  N     "C-Term PRO N"               7   14.0100  3
atom    637     18  CX    "C-Term PRO CA"              6   12.0100  4
atom    638      1  C     "C-Term PRO C"               6   12.0100  3
atom    639     39  O2    "C-Term PRO OXT"             8   16.0000  1
atom    640     50  H1    "C-Term PRO HA"              1    1.0080  1
atom    641     28  N     "C-Term PHE N"               7   14.0100  3
atom    642     18  CX    "C-Term PHE CA"              6   12.0100  4
atom    643      1  C     "C-Term PHE C"               6   12.0100  3
atom    644     43  H     "C-Term PHE HN"              1    1.0080  1
atom    645     39  O2    "C-Term PHE OXT"             8   16.0000  1
atom    646     50  H1    "C-Term PHE HA"              1    1.0080  1
atom    647     28  N     "C-Term TYR N"               7   14.0100  3
atom    648     18  CX    "C-Term TYR CA"              6   12.0100  4
atom    649      1  C     "C-Term TYR C"               6   12.0100  3
atom    650     43  H     "C-Term TYR HN"              1    1.0080  1
atom    651     39  O2    "C-Term TYR OXT"             8   16.0000  1
atom    652     50  H1    "C-Term TYR HA"              1    1.0080  1
atom    653     28  N     "C-Term TRP N"               7   14.0100  3
atom    654     18  CX    "C-Term TRP CA"              6   12.0100  4
atom    655      1  C     "C-Term TRP C"               6   12.0100  3
atom    656     43  H     "C-Term TRP HN"              1    1.0080  1
atom    657     39  O2    "C-Term TRP OXT"             8   16.0000  1
atom    658     50  H1    "C-Term TRP HA"              1    1.0080  1
atom    659     28  N     "C-Term HIS (+) N"           7   14.0100  3
atom    660     18  CX    "C-Term HIS (+) CA"          6   12.0100  4
atom    661      1  C     "C-Term HIS (+) C"           6   12.0100  3
atom    662     43  H     "C-Term HIS (+) HN"          1    1.0080  1
atom    663     39  O2    "C-Term HIS (+) OXT"         8   16.0000  1
atom    664     50  H1    "C-Term HIS (+) HA"          1    1.0080  1
atom    665     28  N     "C-Term HIS (HD) N"          7   14.0100  3
atom    666     18  CX    "C-Term HIS (HD) CA"         6   12.0100  4
atom    667      1  C     "C-Term HIS (HD) C"          6   12.0100  3
atom    668     43  H     "C-Term HIS (HD) HN"         1    1.0080  1
atom    669     39  O2    "C-Term HIS (HD) OXT"        8   16.0000  1
atom    670     50  H1    "C-Term HIS (HD) HA"         1    1.0080  1
atom    671     28  N     "C-Term HIS (HE) N"          7   14.0100  3
atom    672     18  CX    "C-Term HIS (HE) CA"         6   12.0100  4
atom    673      1  C     "C-Term HIS (HE) C"          6   12.0100  3
atom    674     43  H     "C-Term HIS (HE) HN"         1    1.0080  1
atom    675     39  O2    "C-Term HIS (HE) OXT"        8   16.0000  1
atom    676     50  H1    "C-Term HIS (HE) HA"         1    1.0080  1
atom    677     28  N     "C-Term ASP N"               7   14.0100  3
atom    678     18  CX    "C-Term ASP CA"              6   12.0100  4
atom    679      1  C     "C-Term ASP C"               6   12.0100  3
atom    680     43  H     "C-Term ASP HN"              1    1.0080  1
atom    681     39  O2    "C-Term ASP OXT"             8   16.0000  1
atom    682     50  H1    "C-Term ASP HA"              1    1.0080  1
atom    683     28  N     "C-Term ASH N"               7   14.0100  3
atom    684     18  CX    "C-Term ASH CA"              6   12.0100  4
atom    685      1  C     "C-Term ASH C"               6   12.0100  3
atom    686     43  H     "C-Term ASH HN"              1    1.0080  1
atom    687     39  O2    "C-Term ASH OXT"             8   16.0000  1
atom    688     50  H1    "C-Term ASH HA"              1    1.0080  1
atom    689     28  N     "C-Term ASN N"               7   14.0100  3
atom    690     18  CX    "C-Term ASN CA"              6   12.0100  4
atom    691      1  C     "C-Term ASN C"               6   12.0100  3
atom    692     43  H     "C-Term ASN HN"              1    1.0080  1
atom    693     39  O2    "C-Term ASN OXT"             8   16.0000  1
atom    694     50  H1    "C-Term ASN HA"              1    1.0080  1
atom    695     28  N     "C-Term GLU N"               7   14.0100  3
atom    696     18  CX    "C-Term GLU CA"              6   12.0100  4
atom    697      1  C     "C-Term GLU C"               6   12.0100  3
atom    698     43  H     "C-Term GLU HN"              1    1.0080  1
atom    699     39  O2    "C-Term GLU OXT"             8   16.0000  1
atom    700     50  H1    "C-Term GLU HA"              1    1.0080  1
atom    701     28  N     "C-Term GLH N"               7   14.0100  3
atom    702     18  CX    "C-Term GLH CA"              6   12.0100  4
atom    703      1  C     "C-Term GLH C"               6   12.0100  3
atom    704     43  H     "C-Term GLH HN"              1    1.0080  1
atom    705     39  O2    "C-Term GLH OXT"             8   16.0000  1
atom    706     50  H1    "C-Term GLH HA"              1    1.0080  1
atom    707     28  N     "C-Term GLN N"               7   14.0100  3
atom    708     18  CX    "C-Term GLN CA"              6   12.0100  4
atom    709      1  C     "C-Term GLN C"               6   12.0100  3
atom    710     43  H     "C-Term GLN HN"              1    1.0080  1
atom    711     39  O2    "C-Term GLN OXT"             8   16.0000  1
atom    712     50  H1    "C-Term GLN HA"              1    1.0080  1
atom    713     28  N     "C-Term MET N"               7   14.0100  3
atom    714     18  CX    "C-Term MET CA"              6   12.0100  4
atom    715      1  C     "C-Term MET C"               6   12.0100  3
atom    716     43  H     "C-Term MET HN"              1    1.0080  1
atom    717     39  O2    "C-Term MET OXT"             8   16.0000  1
atom    718     50  H1    "C-Term MET HA"              1    1.0080  1
atom    719     28  N     "C-Term LYS N"               7   14.0100  3
atom    720     18  CX    "C-Term LYS CA"              6   12.0100  4
atom    721      1  C     "C-Term LYS C"               6   12.0100  3
atom    722     43  H     "C-Term LYS HN"              1    1.0080  1
atom    723     39  O2    "C-Term LYS OXT"             8   16.0000  1
atom    724     50  H1    "C-Term LYS HA"              1    1.0080  1
atom    725     28  N     "C-Term LYS (Neut) N"        7   14.0100  3
atom    726     18  CX    "C-Term LYS (Neut) CA"       6   12.0100  4
atom    727      1  C     "C-Term LYS (Neut) C"        6   12.0100  3
atom    728     43  H     "C-Term LYS (Neut) HN"       1    1.0080  1
atom    729     39  O2    "C-Term LYS (Neut) OXT"      8   16.0000  1
atom    730     50  H1    "C-Term LYS (Neut) HA"       1    1.0080  1
atom    731     28  N     "C-Term ARG N"               7   14.0100  3
atom    732     18  CX    "C-Term ARG CA"              6   12.0100  4
atom    733      1  C     "C-Term ARG C"               6   12.0100  3
atom    734     43  H     "C-Term ARG HN"              1    1.0080  1
atom    735     39  O2    "C-Term ARG OXT"             8   16.0000  1
atom    736     50  H1    "C-Term ARG HA"              1    1.0080  1
atom    737     28  N     "C-Term ORN N"               7   14.0100  3
atom    738     18  CX    "C-Term ORN CA"              6   12.0100  4
atom    739      1  C     "C-Term ORN C"               6   12.0100  3
atom    740     43  H     "C-Term ORN HN"              1    1.0080  1
atom    741     39  O2    "C-Term ORN OXT"             8   16.0000  1
atom    742     50  H1    "C-Term ORN HA"              1    1.0080  1
atom    743     28  N     "C-Term AIB N"               7   14.0100  3
atom    744     18  CX    "C-Term AIB CA"              6   12.0100  4
atom    745      1  C     "C-Term AIB C"               6   12.0100  3
atom    746     43  H     "C-Term AIB HN"              1    1.0080  1
atom    747     39  O2    "C-Term AIB OXT"             8   16.0000  1
atom    748     37  OS    "R-Adenosine O5"            8   16.0000  2
atom    749      5  CI    "R-Adenosine C5"            6   12.0100  4
atom    750     50  H1    "R-Adenosine H51"           1    1.0080  1
atom    751     50  H1    "R-Adenosine H52"           1    1.0080  1
atom    752     15  CT    "R-Adenosine C4"            6   12.0100  4
atom    753     50  H1    "R-Adenosine H4"            1    1.0080  1
atom    754     37  OS    "R-Adenosine O4"            8   16.0000  2
atom    755     15  CT    "R-Adenosine C1"            6   12.0100  4
atom    756     51  H2    "R-Adenosine H1"            1    1.0080  1
atom    757     15  CT    "R-Adenosine C3"            6   12.0100  4
atom    758     50  H1    "R-Adenosine H3"            1    1.0080  1
atom    759     15  CT    "R-Adenosine C2"            6   12.0100  4
atom    760     50  H1    "R-Adenosine H21"           1    1.0080  1
atom    761     36  OH    "R-Adenosine O2"            8   16.0000  2
atom    762     46  HO    "R-Adenosine HO2"           1    1.0080  1
atom    763     37  OS    "R-Adenosine O3"            8   16.0000  2
atom    764     32  N*    "R-Adenosine N9"             7   14.0100  3
atom    765      3  CB    "R-Adenosine C4"             6   12.0100  3
atom    766      3  CB    "R-Adenosine C5"             6   12.0100  3
atom    767     30  NB    "R-Adenosine N7"             7   14.0100  2
atom    768     23  C5    "R-Adenosine C8"             6   12.0100  3
atom    769     31  NC    "R-Adenosine N3"             7   14.0100  2
atom    770     12  CQ    "R-Adenosine C2"             6   12.0100  3
atom    771     31  NC    "R-Adenosine N1"             7   14.0100  2
atom    772      2  CA    "R-Adenosine C6"             6   12.0100  3
atom    773     53  H5    "R-Adenosine H2"             1    1.0080  1
atom    774     33  N2    "R-Adenosine N6"             7   14.0100  3
atom    775     43  H     "R-Adenosine H61"            1    1.0080  1
atom    776     43  H     "R-Adenosine H62"            1    1.0080  1
atom    777     53  H5    "R-Adenosine H8"             1    1.0080  1
atom    778     37  OS    "R-Guanosine O5"            8   16.0000  2
atom    779      5  CI    "R-Guanosine C5"            6   12.0100  4
atom    780     50  H1    "R-Guanosine H51"           1    1.0080  1
atom    781     50  H1    "R-Guanosine H52"           1    1.0080  1
atom    782     15  CT    "R-Guanosine C4"            6   12.0100  4
atom    783     50  H1    "R-Guanosine H4"            1    1.0080  1
atom    784     37  OS    "R-Guanosine O4"            8   16.0000  2
atom    785     15  CT    "R-Guanosine C1"            6   12.0100  4
atom    786     51  H2    "R-Guanosine H1"            1    1.0080  1
atom    787     15  CT    "R-Guanosine C3"            6   12.0100  4
atom    788     50  H1    "R-Guanosine H3"            1    1.0080  1
atom    789     15  CT    "R-Guanosine C2"            6   12.0100  4
atom    790     50  H1    "R-Guanosine H21"           1    1.0080  1
atom    791     36  OH    "R-Guanosine O2"            8   16.0000  2
atom    792     46  HO    "R-Guanosine HO2"           1    1.0080  1
atom    793     37  OS    "R-Guanosine O3"            8   16.0000  2
atom    794     32  N*    "R-Guanosine N9"             7   14.0100  3
atom    795      3  CB    "R-Guanosine C4"             6   12.0100  3
atom    796      3  CB    "R-Guanosine C5"             6   12.0100  3
atom    797     30  NB    "R-Guanosine N7"             7   14.0100  2
atom    798     11  CP    "R-Guanosine C8"             6   12.0100  3
atom    799     31  NC    "R-Guanosine N3"             7   14.0100  2
atom    800      2  CA    "R-Guanosine C2"             6   12.0100  3
atom    801     29  NA    "R-Guanosine N1"             7   14.0100  3
atom    802      1  C     "R-Guanosine C6"             6   12.0100  3
atom    803     43  H     "R-Guanosine H1"             1    1.0080  1
atom    804     33  N2    "R-Guanosine N2"             7   14.0100  3
atom    805     43  H     "R-Guanosine H21"            1    1.0080  1
atom    806     43  H     "R-Guanosine H22"            1    1.0080  1
atom    807     35  O     "R-Guanosine O6"             8   16.0000  1
atom    808     53  H5    "R-Guanosine H8"             1    1.0080  1
atom    809     37  OS    "R-Cytosine O5"             8   16.0000  2
atom    810      5  CI    "R-Cytosine C5"             6   12.0100  4
atom    811     50  H1    "R-Cytosine H51"            1    1.0080  1
atom    812     50  H1    "R-Cytosine H52"            1    1.0080  1
atom    813     15  CT    "R-Cytosine C4"             6   12.0100  4
atom    814     50  H1    "R-Cytosine H4"             1    1.0080  1
atom    815     37  OS    "R-Cytosine O4"             8   16.0000  2
atom    816     15  CT    "R-Cytosine C1"             6   12.0100  4
atom    817     51  H2    "R-Cytosine H1"             1    1.0080  1
atom    818     15  CT    "R-Cytosine C3"             6   12.0100  4
atom    819     50  H1    "R-Cytosine H3"             1    1.0080  1
atom    820     15  CT    "R-Cytosine C2"             6   12.0100  4
atom    821     50  H1    "R-Cytosine H21"            1    1.0080  1
atom    822     36  OH    "R-Cytosine O2"             8   16.0000  2
atom    823     46  HO    "R-Cytosine HO2"            1    1.0080  1
atom    824     37  OS    "R-Cytosine O3"             8   16.0000  2
atom    825     32  N*    "R-Cytosine N1"              7   14.0100  3
atom    826      1  C     "R-Cytosine C2"              6   12.0100  3
atom    827     31  NC    "R-Cytosine N3"              7   14.0100  2
atom    828      2  CA    "R-Cytosine C4"              6   12.0100  3
atom    829     22  C4    "R-Cytosine C5"              6   12.0100  3
atom    830     22  C4    "R-Cytosine C6"              6   12.0100  3
atom    831     35  O     "R-Cytosine O2"              8   16.0000  1
atom    832     33  N2    "R-Cytosine N4"              7   14.0100  3
atom    833     43  H     "R-Cytosine H41"             1    1.0080  1
atom    834     43  H     "R-Cytosine H42"             1    1.0080  1
atom    835     44  HA    "R-Cytosine H5"              1    1.0080  1
atom    836     52  H4    "R-Cytosine H6"              1    1.0080  1
atom    837     37  OS    "R-Uracil O5"               8   16.0000  2
atom    838      5  CI    "R-Uracil C5"               6   12.0100  4
atom    839     50  H1    "R-Uracil H51"              1    1.0080  1
atom    840     50  H1    "R-Uracil H52"              1    1.0080  1
atom    841     15  CT    "R-Uracil C4"               6   12.0100  4
atom    842     50  H1    "R-Uracil H4"               1    1.0080  1
atom    843     37  OS    "R-Uracil O4"               8   16.0000  2
atom    844     15  CT    "R-Uracil C1"               6   12.0100  4
atom    845     51  H2    "R-Uracil H1"               1    1.0080  1
atom    846     15  CT    "R-Uracil C3"               6   12.0100  4
atom    847     50  H1    "R-Uracil H3"               1    1.0080  1
atom    848     15  CT    "R-Uracil C2"               6   12.0100  4
atom    849     50  H1    "R-Uracil H21"              1    1.0080  1
atom    850     36  OH    "R-Uracil O2"               8   16.0000  2
atom    851     46  HO    "R-Uracil HO2"              1    1.0080  1
atom    852     37  OS    "R-Uracil O3"               8   16.0000  2
atom    853     32  N*    "R-Uracil N1"                7   14.0100  3
atom    854      1  C     "R-Uracil C2"                6   12.0100  3
atom    855     29  NA    "R-Uracil N3"                7   14.0100  3
atom    856      1  C     "R-Uracil C4"                6   12.0100  3
atom    857     14  CS    "R-Uracil C5"                6   12.0100  3
atom    858     14  CS    "R-Uracil C6"                6   12.0100  3
atom    859     35  O     "R-Uracil O2"                8   16.0000  1
atom    860     43  H     "R-Uracil H3"                1    1.0080  1
atom    861     35  O     "R-Uracil O4"                8   16.0000  1
atom    862     44  HA    "R-Uracil H5"                1    1.0080  1
atom    863     52  H4    "R-Uracil H6"                1    1.0080  1
atom    864     37  OS    "D-Adenosine O5"            8   16.0000  2
atom    865      6  CJ    "D-Adenosine C5"            6   12.0100  4
atom    866     50  H1    "D-Adenosine H51"           1    1.0080  1
atom    867     50  H1    "D-Adenosine H52"           1    1.0080  1
atom    868     15  CT    "D-Adenosine C4"            6   12.0100  4
atom    869     50  H1    "D-Adenosine H4"            1    1.0080  1
atom    870     37  OS    "D-Adenosine O4"            8   16.0000  2
atom    871     15  CT    "D-Adenosine C1"            6   12.0100  4
atom    872     51  H2    "D-Adenosine H1"            1    1.0080  1
atom    873     24  C7    "D-Adenosine C3"            6   12.0100  4
atom    874     50  H1    "D-Adenosine H3"            1    1.0080  1
atom    875     15  CT    "D-Adenosine C2"            6   12.0100  4
atom    876     45  HC    "D-Adenosine H21"           1    1.0080  1
atom    877     45  HC    "D-Adenosine H22"           1    1.0080  1
atom    878     37  OS    "D-Adenosine O3"            8   16.0000  2
atom    879     32  N*    "D-Adenosine N9"             7   14.0100  3
atom    880      3  CB    "D-Adenosine C4"             6   12.0100  3
atom    881      3  CB    "D-Adenosine C5"             6   12.0100  3
atom    882     30  NB    "D-Adenosine N7"             7   14.0100  2
atom    883     21  C2    "D-Adenosine C8"             6   12.0100  3
atom    884     31  NC    "D-Adenosine N3"             7   14.0100  2
atom    885     12  CQ    "D-Adenosine C2"             6   12.0100  3
atom    886     31  NC    "D-Adenosine N1"             7   14.0100  2
atom    887      2  CA    "D-Adenosine C6"             6   12.0000  3
atom    888     53  H5    "D-Adenosine H2"             1    1.0080  1
atom    889     33  N2    "D-Adenosine N6"             7   14.0100  3
atom    890     43  H     "D-Adenosine H61"            1    1.0080  1
atom    891     43  H     "D-Adenosine H62"            1    1.0080  1
atom    892     53  H5    "D-Adenosine H8"             1    1.0080  1
atom    893     37  OS    "D-Guanosine O5"            8   16.0000  2
atom    894      6  CJ    "D-Guanosine C5"            6   12.0100  4
atom    895     50  H1    "D-Guanosine H51"           1    1.0080  1
atom    896     50  H1    "D-Guanosine H52"           1    1.0080  1
atom    897     15  CT    "D-Guanosine C4"            6   12.0100  4
atom    898     50  H1    "D-Guanosine H4"            1    1.0080  1
atom    899     37  OS    "D-Guanosine O4"            8   16.0000  2
atom    900     15  CT    "D-Guanosine C1"            6   12.0100  4
atom    901     51  H2    "D-Guanosine H1"            1    1.0080  1
atom    902     24  C7    "D-Guanosine C3"            6   12.0100  4
atom    903     50  H1    "D-Guanosine H3"            1    1.0080  1
atom    904     15  CT    "D-Guanosine C2"            6   12.0100  4
atom    905     45  HC    "D-Guanosine H21"           1    1.0080  1
atom    906     45  HC    "D-Guanosine H22"           1    1.0080  1
atom    907     37  OS    "D-Guanosine O3"            8   16.0000  2
atom    908     32  N*    "D-Guanosine N9"             7   14.0100  3
atom    909      3  CB    "D-Guanosine C4"             6   12.0100  3
atom    910      3  CB    "D-Guanosine C5"             6   12.0100  3
atom    911     30  NB    "D-Guanosine N7"             7   14.0100  2
atom    912      7  CK    "D-Guanosine C8"             6   12.0100  3
atom    913     31  NC    "D-Guanosine N3"             7   14.0100  2
atom    914      2  CA    "D-Guanosine C2"             6   12.0100  3
atom    915     29  NA    "D-Guanosine N1"             7   14.0100  3
atom    916      1  C     "D-Guanosine C6"             6   12.0100  3
atom    917     43  H     "D-Guanosine H1"             1    1.0080  1
atom    918     33  N2    "D-Guanosine N2"             7   14.0100  3
atom    919     43  H     "D-Guanosine H21"            1    1.0080  1
atom    920     43  H     "D-Guanosine H22"            1    1.0080  1
atom    921     35  O     "D-Guanosine O6"             8   16.0000  1
atom    922     53  H5    "D-Guanosine H8"             1    1.0080  1
atom    923     37  OS    "D-Cytosine O5"             8   16.0000  2
atom    924      6  CJ    "D-Cytosine C5"             6   12.0100  4
atom    925     50  H1    "D-Cytosine H51"            1    1.0080  1
atom    926     50  H1    "D-Cytosine H52"            1    1.0080  1
atom    927     15  CT    "D-Cytosine C4"             6   12.0100  4
atom    928     50  H1    "D-Cytosine H4"             1    1.0080  1
atom    929     37  OS    "D-Cytosine O4"             8   16.0000  2
atom    930     15  CT    "D-Cytosine C1"             6   12.0100  4
atom    931     51  H2    "D-Cytosine H1"             1    1.0080  1
atom    932     24  C7    "D-Cytosine C3"             6   12.0100  4
atom    933     50  H1    "D-Cytosine H3"             1    1.0080  1
atom    934     15  CT    "D-Cytosine C2"             6   12.0100  4
atom    935     45  HC    "D-Cytosine H21"            1    1.0080  1
atom    936     45  HC    "D-Cytosine H22"            1    1.0080  1
atom    937     37  OS    "D-Cytosine O3"             8   16.0000  2
atom    938     32  N*    "D-Cytosine N1"              7   14.0100  3
atom    939      1  C     "D-Cytosine C2"              6   12.0100  3
atom    940     31  NC    "D-Cytosine N3"              7   14.0100  2
atom    941      2  CA    "D-Cytosine C4"              6   12.0100  3
atom    942     20  C1    "D-Cytosine C5"              6   12.0100  3
atom    943     20  C1    "D-Cytosine C6"              6   12.0100  3
atom    944     35  O     "D-Cytosine O2"              8   16.0000  1
atom    945     33  N2    "D-Cytosine N4"              7   14.0100  3
atom    946     43  H     "D-Cytosine H41"             1    1.0080  1
atom    947     43  H     "D-Cytosine H42"             1    1.0080  1
atom    948     44  HA    "D-Cytosine H5"              1    1.0080  1
atom    949     52  H4    "D-Cytosine H6"              1    1.0080  1
atom    950     37  OS    "D-Thymine O5"              8   16.0000  2
atom    951      6  CJ    "D-Thymine C5"              6   12.0100  4
atom    952     50  H1    "D-Thymine H51"             1    1.0080  1
atom    953     50  H1    "D-Thymine H52"             1    1.0080  1
atom    954     15  CT    "D-Thymine C4"              6   12.0100  4
atom    955     50  H1    "D-Thymine H4"              1    1.0080  1
atom    956     37  OS    "D-Thymine O4"              8   16.0000  2
atom    957     15  CT    "D-Thymine C1"              6   12.0100  4
atom    958     51  H2    "D-Thymine H1"              1    1.0080  1
atom    959     24  C7    "D-Thymine C3"              6   12.0100  4
atom    960     50  H1    "D-Thymine H3"              1    1.0080  1
atom    961     15  CT    "D-Thymine C2"              6   12.0100  4
atom    962     45  HC    "D-Thymine H21"             1    1.0080  1
atom    963     45  HC    "D-Thymine H22"             1    1.0080  1
atom    964     37  OS    "D-Thymine O3"              8   16.0000  2
atom    965     32  N*    "D-Thymine N1"               7   14.0100  3
atom    966      1  C     "D-Thymine C2"               6   12.0100  3
atom    967     29  NA    "D-Thymine N3"               7   14.0100  3
atom    968      1  C     "D-Thymine C4"               6   12.0100  3
atom    969      8  CM    "D-Thymine C5"               6   12.0100  3
atom    970      8  CM    "D-Thymine C6"               6   12.0100  3
atom    971     35  O     "D-Thymine O2"               8   16.0000  1
atom    972     43  H     "D-Thymine H3"               1    1.0080  1
atom    973     35  O     "D-Thymine O4"               8   16.0000  1
atom    974     15  CT    "D-Thymine C7"               6   12.0100  4
atom    975     45  HC    "D-Thymine H7"               1    1.0080  1
atom    976     52  H4    "D-Thymine H6"               1    1.0080  1
atom    977     42  P     "R-Phosphodiester P"        15   30.9700  4
atom    978     39  O2    "R-Phosphodiester OP"        8   16.0000  1
atom    979     36  OH    "R-5-Hydroxyl O5"          8   16.0000  2
atom    980     46  HO    "R-5-Hydroxyl H5T"          1    1.0080  1
atom    981     37  OS    "R-5-Phosphate O5"         8   16.0000  2
atom    982     42  P     "R-5-Phosphate P"          15   30.9700  4
atom    983     39  O2    "R-5-Phosphate OP"          8   16.0000  1
atom    984     36  OH    "R-3-Hydroxyl O3"          8   16.0000  2
atom    985     46  HO    "R-3-Hydroxyl H3T"          1    1.0080  1
atom    986     37  OS    "R-3-Phosphate O3"         8   16.0000  2
atom    987     42  P     "R-3-Phosphate P"          15   30.9700  4
atom    988     39  O2    "R-3-Phosphate OP"          8   16.0000  1
atom    989     42  P     "D-Phosphodiester P"        15   30.9700  4
atom    990     39  O2    "D-Phosphodiester OP"        8   16.0000  1
atom    991     36  OH    "D-5-Hydroxyl O5"          8   16.0000  2
atom    992     46  HO    "D-5-Hydroxyl H5T"          1    1.0080  1
atom    993     37  OS    "D-5-Phosphate O5"         8   16.0000  2
atom    994     42  P     "D-5-Phosphate P"          15   30.9700  4
atom    995     39  O2    "D-5-Phosphate OP"          8   16.0000  1
atom    996     36  OH    "D-3-Hydroxyl O3"          8   16.0000  2
atom    997     46  HO    "D-3-Hydroxyl H3T"          1    1.0080  1
atom    998     37  OS    "D-3-Phosphate O3"         8   16.0000  2
atom    999     42  P     "D-3-Phosphate P"          15   30.9700  4
atom   1000     39  O2    "D-3-Phosphate OP"          8   16.0000  1
atom   1001     38  OW    "TIP3P Oxygen"               8   16.0000  2
atom   1002     49  HW    "TIP3P Hydrogen"             1    1.0080  1
atom   1003     54  Li+   "Li+ Lithium Ion"            3    6.9400  0
atom   1004     55  Na+   "Na+ Sodium Ion"            11   22.9900  0
atom   1005     56  K+    "K+ Potassium Ion"          19   39.1000  0
atom   1006     57  Rb+   "Rb+ Rubidium Ion"          37   85.4700  0
atom   1007     58  Cs+   "Cs+ Cesium Ion"            55  132.9100  0
atom   1008     59  Mg+   "Mg+2 Magnesium Ion"        12   24.3050  0
atom   1009     60  Ca+   "Ca+2 Calcium Ion"          20   40.0800  0
atom   1010     61  Sr+   "Sr+2 Strontium Ion"        38   87.6200  0
atom   1011     62  Ba+   "Ba+2 Barium Ion"           56  137.3300  0
atom   1012     63  F-    "F- Fluoride Ion"            9   19.0000  0
atom   1013     64  Cl-   "Cl- Chloride Ion"          17   35.4500  0
atom   1014     65  Br-   "Br- Bromide Ion"           35   79.9000  0
atom   1015     66  I-    "I- Iodide Ion"             53  126.9000  0
atom   1016     67  Zn+   "Zn+2 Zinc Ion"             30   65.4000  0

biotype      1  N     "Glycine"      1
biotype      2  CA    "Glycine"      2
biotype      3  C     "Glycine"      3
biotype      4  HN    "Glycine"      4
biotype      5  O     "Glycine"      5
biotype      6  HA    "Glycine"      6
biotype      7  N     "Alanine"      7
biotype      8  CA    "Alanine"      8
biotype      9  C     "Alanine"      9
biotype     10  HN    "Alanine"     10
biotype     11  O     "Alanine"     11
biotype     12  HA    "Alanine"     12
biotype     13  CB    "Alanine"     13
biotype     14  HB    "Alanine"     14
biotype     15  N     "Valine"     15
biotype     16  CA    "Valine"     16
biotype     17  C     "Valine"     17
biotype     18  HN    "Valine"     18
biotype     19  O     "Valine"     19
biotype     20  HA    "Valine"     20
biotype     21  CB    "Valine"     21
biotype     22  HB    "Valine"     22
biotype     23  CG1   "Valine"     23
biotype     24  HG1   "Valine"     24
biotype     25  CG2   "Valine"     25
biotype     26  HG2   "Valine"     26
biotype     27  N     "Leucine"     27
biotype     28  CA    "Leucine"     28
biotype     29  C     "Leucine"     29
biotype     30  HN    "Leucine"     30
biotype     31  O     "Leucine"     31
biotype     32  HA    "Leucine"     32
biotype     33  CB    "Leucine"     33
biotype     34  HB    "Leucine"     34
biotype     35  CG    "Leucine"     35
biotype     36  HG    "Leucine"     36
biotype     37  CD1   "Leucine"     37
biotype     38  HD1   "Leucine"     38
biotype     39  CD2   "Leucine"     39
biotype     40  HD2   "Leucine"     40
biotype     41  N     "Isoleucine"     41
biotype     42  CA    "Isoleucine"     42
biotype     43  C     "Isoleucine"     43
biotype     44  HN    "Isoleucine"     44
biotype     45  O     "Isoleucine"     45
biotype     46  HA    "Isoleucine"     46
biotype     47  CB    "Isoleucine"     47
biotype     48  HB    "Isoleucine"     48
biotype     49  CG1   "Isoleucine"     49
biotype     50  HG1   "Isoleucine"     50
biotype     51  CG2   "Isoleucine"     51
biotype     52  HG2   "Isoleucine"     52
biotype     53  CD    "Isoleucine"     53
biotype     54  HD    "Isoleucine"     54
biotype     55  N     "Serine"     55
biotype     56  CA    "Serine"     56
biotype     57  C     "Serine"     57
biotype     58  HN    "Serine"     58
biotype     59  O     "Serine"     59
biotype     60  HA    "Serine"     60
biotype     61  CB    "Serine"     61
biotype     62  HB    "Serine"     62
biotype     63  OG    "Serine"     63
biotype     64  HG    "Serine"     64
biotype     65  N     "Threonine"     65
biotype     66  CA    "Threonine"     66
biotype     67  C     "Threonine"     67
biotype     68  HN    "Threonine"     68
biotype     69  O     "Threonine"     69
biotype     70  HA    "Threonine"     70
biotype     71  CB    "Threonine"     71
biotype     72  HB    "Threonine"     72
biotype     73  OG1   "Threonine"     73
biotype     74  HG1   "Threonine"     74
biotype     75  CG2   "Threonine"     75
biotype     76  HG2   "Threonine"     76
biotype     77  N     "Cysteine (SH)"     77
biotype     78  CA    "Cysteine (SH)"     78
biotype     79  C     "Cysteine (SH)"     79
biotype     80  HN    "Cysteine (SH)"     80
biotype     81  O     "Cysteine (SH)"     81
biotype     82  HA    "Cysteine (SH)"     82
biotype     83  CB    "Cysteine (SH)"     83
biotype     84  HB    "Cysteine (SH)"     84
biotype     85  SG    "Cysteine (SH)"     85
biotype     86  HG    "Cysteine (SH)"     86
biotype     87  N     "Cystine (SS)"     87
biotype     88  CA    "Cystine (SS)"     88
biotype     89  C     "Cystine (SS)"     89
biotype     90  HN    "Cystine (SS)"     90
biotype     91  O     "Cystine (SS)"     91
biotype     92  HA    "Cystine (SS)"     92
biotype     93  CB    "Cystine (SS)"     93
biotype     94  HB    "Cystine (SS)"     94
biotype     95  SG    "Cystine (SS)"     95
biotype     96  N     "Cysteine (S-)"     96
biotype     97  CA    "Cysteine (S-)"     97
biotype     98  C     "Cysteine (S-)"     98
biotype     99  HN    "Cysteine (S-)"     99
biotype    100  O     "Cysteine (S-)"    100
biotype    101  HA    "Cysteine (S-)"    101
biotype    102  CB    "Cysteine (S-)"    102
biotype    103  HB    "Cysteine (S-)"    103
biotype    104  SG    "Cysteine (S-)"    104
biotype    105  N     "Proline"    105
biotype    106  CA    "Proline"    106
biotype    107  C     "Proline"    107
biotype    108  O     "Proline"    108
biotype    109  HA    "Proline"    109
biotype    110  CB    "Proline"    110
biotype    111  HB    "Proline"    111
biotype    112  CG    "Proline"    112
biotype    113  HG    "Proline"    113
biotype    114  CD    "Proline"    114
biotype    115  HD    "Proline"    115
biotype    116  N     "Phenylalanine"    116
biotype    117  CA    "Phenylalanine"    117
biotype    118  C     "Phenylalanine"    118
biotype    119  HN    "Phenylalanine"    119
biotype    120  O     "Phenylalanine"    120
biotype    121  HA    "Phenylalanine"    121
biotype    122  CB    "Phenylalanine"    122
biotype    123  HB    "Phenylalanine"    123
biotype    124  CG    "Phenylalanine"    124
biotype    125  CD    "Phenylalanine"    125
biotype    126  HD    "Phenylalanine"    126
biotype    127  CE    "Phenylalanine"    127
biotype    128  HE    "Phenylalanine"    128
biotype    129  CZ    "Phenylalanine"    129
biotype    130  HZ    "Phenylalanine"    130
biotype    131  N     "Tyrosine"    131
biotype    132  CA    "Tyrosine"    132
biotype    133  C     "Tyrosine"    133
biotype    134  HN    "Tyrosine"    134
biotype    135  O     "Tyrosine"    135
biotype    136  HA    "Tyrosine"    136
biotype    137  CB    "Tyrosine"    137
biotype    138  HB    "Tyrosine"    138
biotype    139  CG    "Tyrosine"    139
biotype    140  CD    "Tyrosine"    140
biotype    141  HD    "Tyrosine"    141
biotype    142  CE    "Tyrosine"    142
biotype    143  HE    "Tyrosine"    143
biotype    144  CZ    "Tyrosine"    144
biotype    145  OH    "Tyrosine"    145
biotype    146  HH    "Tyrosine"    146
biotype    147  N     "Tyrosine (O-)"     -1
biotype    148  CA    "Tyrosine (O-)"     -1
biotype    149  C     "Tyrosine (O-)"     -1
biotype    150  HN    "Tyrosine (O-)"     -1
biotype    151  O     "Tyrosine (O-)"     -1
biotype    152  HA    "Tyrosine (O-)"     -1
biotype    153  CB    "Tyrosine (O-)"     -1
biotype    154  HB    "Tyrosine (O-)"     -1
biotype    155  CG    "Tyrosine (O-)"     -1
biotype    156  CD    "Tyrosine (O-)"     -1
biotype    157  HD    "Tyrosine (O-)"     -1
biotype    158  CE    "Tyrosine (O-)"     -1
biotype    159  HE    "Tyrosine (O-)"     -1
biotype    160  CZ    "Tyrosine (O-)"     -1
biotype    161  OH    "Tyrosine (O-)"     -1
biotype    162  N     "Tryptophan"    147
biotype    163  CA    "Tryptophan"    148
biotype    164  C     "Tryptophan"    149
biotype    165  HN    "Tryptophan"    150
biotype    166  O     "Tryptophan"    151
biotype    167  HA    "Tryptophan"    152
biotype    168  CB    "Tryptophan"    153
biotype    169  HB    "Tryptophan"    154
biotype    170  CG    "Tryptophan"    155
biotype    171  CD1   "Tryptophan"    156
biotype    172  HD1   "Tryptophan"    157
biotype    173  CD2   "Tryptophan"    158
biotype    174  NE1   "Tryptophan"    159
biotype    175  HE1   "Tryptophan"    160
biotype    176  CE2   "Tryptophan"    161
biotype    177  CE3   "Tryptophan"    162
biotype    178  HE3   "Tryptophan"    163
biotype    179  CZ2   "Tryptophan"    164
biotype    180  HZ2   "Tryptophan"    165
biotype    181  CZ3   "Tryptophan"    166
biotype    182  HZ3   "Tryptophan"    167
biotype    183  CH2   "Tryptophan"    168
biotype    184  HH2   "Tryptophan"    169
biotype    185  N     "Histidine (+)"    170
biotype    186  CA    "Histidine (+)"    171
biotype    187  C     "Histidine (+)"    172
biotype    188  HN    "Histidine (+)"    173
biotype    189  O     "Histidine (+)"    174
biotype    190  HA    "Histidine (+)"    175
biotype    191  CB    "Histidine (+)"    176
biotype    192  HB    "Histidine (+)"    177
biotype    193  CG    "Histidine (+)"    178
biotype    194  ND1   "Histidine (+)"    179
biotype    195  HD1   "Histidine (+)"    180
biotype    196  CD2   "Histidine (+)"    181
biotype    197  HD2   "Histidine (+)"    182
biotype    198  CE1   "Histidine (+)"    183
biotype    199  HE1   "Histidine (+)"    184
biotype    200  NE2   "Histidine (+)"    185
biotype    201  HE2   "Histidine (+)"    186
biotype    202  N     "Histidine (HD)"    187
biotype    203  CA    "Histidine (HD)"    188
biotype    204  C     "Histidine (HD)"    189
biotype    205  HN    "Histidine (HD)"    190
biotype    206  O     "Histidine (HD)"    191
biotype    207  HA    "Histidine (HD)"    192
biotype    208  CB    "Histidine (HD)"    193
biotype    209  HB    "Histidine (HD)"    194
biotype    210  CG    "Histidine (HD)"    195
biotype    211  ND1   "Histidine (HD)"    196
biotype    212  HD1   "Histidine (HD)"    197
biotype    213  CD2   "Histidine (HD)"    198
biotype    214  HD2   "Histidine (HD)"    199
biotype    215  CE1   "Histidine (HD)"    200
biotype    216  HE1   "Histidine (HD)"    201
biotype    217  NE2   "Histidine (HD)"    202
biotype    218  N     "Histidine (HE)"    203
biotype    219  CA    "Histidine (HE)"    204
biotype    220  C     "Histidine (HE)"    205
biotype    221  HN    "Histidine (HE)"    206
biotype    222  O     "Histidine (HE)"    207
biotype    223  HA    "Histidine (HE)"    208
biotype    224  CB    "Histidine (HE)"    209
biotype    225  HB    "Histidine (HE)"    210
biotype    226  CG    "Histidine (HE)"    211
biotype    227  ND1   "Histidine (HE)"    212
biotype    228  CD2   "Histidine (HE)"    213
biotype    229  HD2   "Histidine (HE)"    214
biotype    230  CE1   "Histidine (HE)"    215
biotype    231  HE1   "Histidine (HE)"    216
biotype    232  NE2   "Histidine (HE)"    217
biotype    233  HE2   "Histidine (HE)"    218
biotype    234  N     "Aspartic Acid"    219
biotype    235  CA    "Aspartic Acid"    220
biotype    236  C     "Aspartic Acid"    221
biotype    237  HN    "Aspartic Acid"    222
biotype    238  O     "Aspartic Acid"    223
biotype    239  HA    "Aspartic Acid"    224
biotype    240  CB    "Aspartic Acid"    225
biotype    241  HB    "Aspartic Acid"    226
biotype    242  CG    "Aspartic Acid"    227
biotype    243  OD    "Aspartic Acid"    228
biotype    244  N     "Aspartic Acid (COOH)"    229
biotype    245  CA    "Aspartic Acid (COOH)"    230
biotype    246  C     "Aspartic Acid (COOH)"    231
biotype    247  HN    "Aspartic Acid (COOH)"    232
biotype    248  O     "Aspartic Acid (COOH)"    233
biotype    249  HA    "Aspartic Acid (COOH)"    234
biotype    250  CB    "Aspartic Acid (COOH)"    235
biotype    251  HB    "Aspartic Acid (COOH)"    236
biotype    252  CG    "Aspartic Acid (COOH)"    237
biotype    253  OD1   "Aspartic Acid (COOH)"    238
biotype    254  OD2   "Aspartic Acid (COOH)"    239
biotype    255  HD2   "Aspartic Acid (COOH)"    240
biotype    256  N     "Asparagine"    241
biotype    257  CA    "Asparagine"    242
biotype    258  C     "Asparagine"    243
biotype    259  HN    "Asparagine"    244
biotype    260  O     "Asparagine"    245
biotype    261  HA    "Asparagine"    246
biotype    262  CB    "Asparagine"    247
biotype    263  HB    "Asparagine"    248
biotype    264  CG    "Asparagine"    249
biotype    265  OD1   "Asparagine"    250
biotype    266  ND2   "Asparagine"    251
biotype    267  HD2   "Asparagine"    252
biotype    268  N     "Glutamic Acid"    253
biotype    269  CA    "Glutamic Acid"    254
biotype    270  C     "Glutamic Acid"    255
biotype    271  HN    "Glutamic Acid"    256
biotype    272  O     "Glutamic Acid"    257
biotype    273  HA    "Glutamic Acid"    258
biotype    274  CB    "Glutamic Acid"    259
biotype    275  HB    "Glutamic Acid"    260
biotype    276  CG    "Glutamic Acid"    261
biotype    277  HG    "Glutamic Acid"    262
biotype    278  CD    "Glutamic Acid"    263
biotype    279  OE    "Glutamic Acid"    264
biotype    280  N     "Glutamic Acid (COOH)"    265
biotype    281  CA    "Glutamic Acid (COOH)"    266
biotype    282  C     "Glutamic Acid (COOH)"    267
biotype    283  HN    "Glutamic Acid (COOH)"    268
biotype    284  O     "Glutamic Acid (COOH)"    269
biotype    285  HA    "Glutamic Acid (COOH)"    270
biotype    286  CB    "Glutamic Acid (COOH)"    271
biotype    287  HB    "Glutamic Acid (COOH)"    272
biotype    288  CG    "Glutamic Acid (COOH)"    273
biotype    289  HG    "Glutamic Acid (COOH)"    274
biotype    290  CD    "Glutamic Acid (COOH)"    275
biotype    291  OE1   "Glutamic Acid (COOH)"    276
biotype    292  OE2   "Glutamic Acid (COOH)"    277
biotype    293  HE2   "Glutamic Acid (COOH)"    278
biotype    294  N     "Glutamine"    279
biotype    295  CA    "Glutamine"    280
biotype    296  C     "Glutamine"    281
biotype    297  HN    "Glutamine"    282
biotype    298  O     "Glutamine"    283
biotype    299  HA    "Glutamine"    284
biotype    300  CB    "Glutamine"    285
biotype    301  HB    "Glutamine"    286
biotype    302  CG    "Glutamine"    287
biotype    303  HG    "Glutamine"    288
biotype    304  CD    "Glutamine"    289
biotype    305  OE1   "Glutamine"    290
biotype    306  NE2   "Glutamine"    291
biotype    307  HE2   "Glutamine"    292
biotype    308  N     "Methionine"    293
biotype    309  CA    "Methionine"    294
biotype    310  C     "Methionine"    295
biotype    311  HN    "Methionine"    296
biotype    312  O     "Methionine"    297
biotype    313  HA    "Methionine"    298
biotype    314  CB    "Methionine"    299
biotype    315  HB    "Methionine"    300
biotype    316  CG    "Methionine"    301
biotype    317  HG    "Methionine"    302
biotype    318  SD    "Methionine"    303
biotype    319  CE    "Methionine"    304
biotype    320  HE    "Methionine"    305
biotype    321  N     "Lysine"    306
biotype    322  CA    "Lysine"    307
biotype    323  C     "Lysine"    308
biotype    324  HN    "Lysine"    309
biotype    325  O     "Lysine"    310
biotype    326  HA    "Lysine"    311
biotype    327  CB    "Lysine"    312
biotype    328  HB    "Lysine"    313
biotype    329  CG    "Lysine"    314
biotype    330  HG    "Lysine"    315
biotype    331  CD    "Lysine"    316
biotype    332  HD    "Lysine"    317
biotype    333  CE    "Lysine"    318
biotype    334  HE    "Lysine"    319
biotype    335  NZ    "Lysine"    320
biotype    336  HZ    "Lysine"    321
biotype    337  N     "Lysine (NH2)"    322
biotype    338  CA    "Lysine (NH2)"    323
biotype    339  C     "Lysine (NH2)"    324
biotype    340  HN    "Lysine (NH2)"    325
biotype    341  O     "Lysine (NH2)"    326
biotype    342  HA    "Lysine (NH2)"    327
biotype    343  CB    "Lysine (NH2)"    328
biotype    344  HB    "Lysine (NH2)"    329
biotype    345  CG    "Lysine (NH2)"    330
biotype    346  HG    "Lysine (NH2)"    331
biotype    347  CD    "Lysine (NH2)"    332
biotype    348  HD    "Lysine (NH2)"    333
biotype    349  CE    "Lysine (NH2)"    334
biotype    350  HE    "Lysine (NH2)"    335
biotype    351  NZ    "Lysine (NH2)"    336
biotype    352  HZ    "Lysine (NH2)"    337
biotype    353  N     "Arginine"    338
biotype    354  CA    "Arginine"    339
biotype    355  C     "Arginine"    340
biotype    356  HN    "Arginine"    341
biotype    357  O     "Arginine"    342
biotype    358  HA    "Arginine"    343
biotype    359  CB    "Arginine"    344
biotype    360  HB    "Arginine"    345
biotype    361  CG    "Arginine"    346
biotype    362  HG    "Arginine"    347
biotype    363  CD    "Arginine"    348
biotype    364  HD    "Arginine"    349
biotype    365  NE    "Arginine"    350
biotype    366  HE    "Arginine"    351
biotype    367  CZ    "Arginine"    352
biotype    368  NH    "Arginine"    353
biotype    369  HH    "Arginine"    354
biotype    370  N     "Ornithine"    355
biotype    371  CA    "Ornithine"    356
biotype    372  C     "Ornithine"    357
biotype    373  HN    "Ornithine"    358
biotype    374  O     "Ornithine"    359
biotype    375  HA    "Ornithine"    360
biotype    376  CB    "Ornithine"    361
biotype    377  HB    "Ornithine"    362
biotype    378  CG    "Ornithine"    363
biotype    379  HG    "Ornithine"    364
biotype    380  CD    "Ornithine"    365
biotype    381  HD    "Ornithine"    366
biotype    382  NE    "Ornithine"    367
biotype    383  HE    "Ornithine"    368
biotype    384  N     "MethylAlanine (AIB)"    369
biotype    385  CA    "MethylAlanine (AIB)"    370
biotype    386  C     "MethylAlanine (AIB)"    371
biotype    387  HN    "MethylAlanine (AIB)"    372
biotype    388  O     "MethylAlanine (AIB)"    373
biotype    389  CB    "MethylAlanine (AIB)"    374
biotype    390  HB    "MethylAlanine (AIB)"    375
biotype    391  N     "Pyroglutamic Acid"    376
biotype    392  CA    "Pyroglutamic Acid"    377
biotype    393  C     "Pyroglutamic Acid"    378
biotype    394  HN    "Pyroglutamic Acid"    379
biotype    395  O     "Pyroglutamic Acid"    380
biotype    396  HA    "Pyroglutamic Acid"    381
biotype    397  CB    "Pyroglutamic Acid"    382
biotype    398  HB    "Pyroglutamic Acid"    383
biotype    399  CG    "Pyroglutamic Acid"    384
biotype    400  HG    "Pyroglutamic Acid"    385
biotype    401  CD    "Pyroglutamic Acid"    386
biotype    402  OE    "Pyroglutamic Acid"    387
biotype    403  N     "N-Terminal GLY"    401
biotype    404  CA    "N-Terminal GLY"    402
biotype    405  C     "N-Terminal GLY"    403
biotype    406  HN    "N-Terminal GLY"    404
biotype    407  O     "N-Terminal GLY"    405
biotype    408  HA    "N-Terminal GLY"    406
biotype    409  N     "N-Terminal ALA"    407
biotype    410  CA    "N-Terminal ALA"    408
biotype    411  C     "N-Terminal ALA"    409
biotype    412  HN    "N-Terminal ALA"    410
biotype    413  O     "N-Terminal ALA"    411
biotype    414  HA    "N-Terminal ALA"    412
biotype    415  N     "N-Terminal VAL"    413
biotype    416  CA    "N-Terminal VAL"    414
biotype    417  C     "N-Terminal VAL"    415
biotype    418  HN    "N-Terminal VAL"    416
biotype    419  O     "N-Terminal VAL"    417
biotype    420  HA    "N-Terminal VAL"    418
biotype    421  N     "N-Terminal LEU"    419
biotype    422  CA    "N-Terminal LEU"    420
biotype    423  C     "N-Terminal LEU"    421
biotype    424  HN    "N-Terminal LEU"    422
biotype    425  O     "N-Terminal LEU"    423
biotype    426  HA    "N-Terminal LEU"    424
biotype    427  N     "N-Terminal ILE"    425
biotype    428  CA    "N-Terminal ILE"    426
biotype    429  C     "N-Terminal ILE"    427
biotype    430  HN    "N-Terminal ILE"    428
biotype    431  O     "N-Terminal ILE"    429
biotype    432  HA    "N-Terminal ILE"    430
biotype    433  N     "N-Terminal SER"    431
biotype    434  CA    "N-Terminal SER"    432
biotype    435  C     "N-Terminal SER"    433
biotype    436  HN    "N-Terminal SER"    434
biotype    437  O     "N-Terminal SER"    435
biotype    438  HA    "N-Terminal SER"    436
biotype    439  N     "N-Terminal THR"    437
biotype    440  CA    "N-Terminal THR"    438
biotype    441  C     "N-Terminal THR"    439
biotype    442  HN    "N-Terminal THR"    440
biotype    443  O     "N-Terminal THR"    441
biotype    444  HA    "N-Terminal THR"    442
biotype    445  N     "N-Terminal CYS (SH)"    443
biotype    446  CA    "N-Terminal CYS (SH)"    444
biotype    447  C     "N-Terminal CYS (SH)"    445
biotype    448  HN    "N-Terminal CYS (SH)"    446
biotype    449  O     "N-Terminal CYS (SH)"    447
biotype    450  HA    "N-Terminal CYS (SH)"    448
biotype    451  N     "N-Terminal CYX (SS)"    449
biotype    452  CA    "N-Terminal CYX (SS)"    450
biotype    453  C     "N-Terminal CYX (SS)"    451
biotype    454  HN    "N-Terminal CYX (SS)"    452
biotype    455  O     "N-Terminal CYX (SS)"    453
biotype    456  HA    "N-Terminal CYX (SS)"    454
biotype    457  N     "N-Terminal CYD (S-)"    455
biotype    458  CA    "N-Terminal CYD (S-)"    456
biotype    459  C     "N-Terminal CYD (S-)"    457
biotype    460  HN    "N-Terminal CYD (S-)"    458
biotype    461  O     "N-Terminal CYD (S-)"    459
biotype    462  HA    "N-Terminal CYD (S-)"    460
biotype    463  N     "N-Terminal PRO"    461
biotype    464  CA    "N-Terminal PRO"    462
biotype    465  C     "N-Terminal PRO"    463
biotype    466  HN    "N-Terminal PRO"    464
biotype    467  O     "N-Terminal PRO"    465
biotype    468  HA    "N-Terminal PRO"    466
biotype    469  CD    "N-Terminal PRO"    467
biotype    470  HD    "N-Terminal PRO"    468
biotype    471  N     "N-Terminal PHE"    469
biotype    472  CA    "N-Terminal PHE"    470
biotype    473  C     "N-Terminal PHE"    471
biotype    474  HN    "N-Terminal PHE"    472
biotype    475  O     "N-Terminal PHE"    473
biotype    476  HA    "N-Terminal PHE"    474
biotype    477  N     "N-Terminal TYR"    475
biotype    478  CA    "N-Terminal TYR"    476
biotype    479  C     "N-Terminal TYR"    477
biotype    480  HN    "N-Terminal TYR"    478
biotype    481  O     "N-Terminal TYR"    479
biotype    482  HA    "N-Terminal TYR"    480
biotype    483  N     "N-Terminal TYD (O-)"     -1
biotype    484  CA    "N-Terminal TYD (O-)"     -1
biotype    485  C     "N-Terminal TYD (O-)"     -1
biotype    486  HN    "N-Terminal TYD (O-)"     -1
biotype    487  O     "N-Terminal TYD (O-)"     -1
biotype    488  HA    "N-Terminal TYD (O-)"     -1
biotype    489  N     "N-Terminal TRP"    481
biotype    490  CA    "N-Terminal TRP"    482
biotype    491  C     "N-Terminal TRP"    483
biotype    492  HN    "N-Terminal TRP"    484
biotype    493  O     "N-Terminal TRP"    485
biotype    494  HA    "N-Terminal TRP"    486
biotype    495  N     "N-Terminal HIS (+)"    487
biotype    496  CA    "N-Terminal HIS (+)"    488
biotype    497  C     "N-Terminal HIS (+)"    489
biotype    498  HN    "N-Terminal HIS (+)"    490
biotype    499  O     "N-Terminal HIS (+)"    491
biotype    500  HA    "N-Terminal HIS (+)"    492
biotype    501  N     "N-Terminal HIS (HD)"    493
biotype    502  CA    "N-Terminal HIS (HD)"    494
biotype    503  C     "N-Terminal HIS (HD)"    495
biotype    504  HN    "N-Terminal HIS (HD)"    496
biotype    505  O     "N-Terminal HIS (HD)"    497
biotype    506  HA    "N-Terminal HIS (HD)"    498
biotype    507  N     "N-Terminal HIS (HE)"    499
biotype    508  CA    "N-Terminal HIS (HE)"    500
biotype    509  C     "N-Terminal HIS (HE)"    501
biotype    510  HN    "N-Terminal HIS (HE)"    502
biotype    511  O     "N-Terminal HIS (HE)"    503
biotype    512  HA    "N-Terminal HIS (HE)"    504
biotype    513  N     "N-Terminal ASP"    505
biotype    514  CA    "N-Terminal ASP"    506
biotype    515  C     "N-Terminal ASP"    507
biotype    516  HN    "N-Terminal ASP"    508
biotype    517  O     "N-Terminal ASP"    509
biotype    518  HA    "N-Terminal ASP"    510
biotype    519  N     "N-Terminal ASH (COOH)"    511
biotype    520  CA    "N-Terminal ASH (COOH)"    512
biotype    521  C     "N-Terminal ASH (COOH)"    513
biotype    522  HN    "N-Terminal ASH (COOH)"    514
biotype    523  O     "N-Terminal ASH (COOH)"    515
biotype    524  HA    "N-Terminal ASH (COOH)"    516
biotype    525  N     "N-Terminal ASN"    517
biotype    526  CA    "N-Terminal ASN"    518
biotype    527  C     "N-Terminal ASN"    519
biotype    528  HN    "N-Terminal ASN"    520
biotype    529  O     "N-Terminal ASN"    521
biotype    530  HA    "N-Terminal ASN"    522
biotype    531  N     "N-Terminal GLU"    523
biotype    532  CA    "N-Terminal GLU"    524
biotype    533  C     "N-Terminal GLU"    525
biotype    534  HN    "N-Terminal GLU"    526
biotype    535  O     "N-Terminal GLU"    527
biotype    536  HA    "N-Terminal GLU"    528
biotype    537  N     "N-Terminal GLH (COOH)"    529
biotype    538  CA    "N-Terminal GLH (COOH)"    530
biotype    539  C     "N-Terminal GLH (COOH)"    531
biotype    540  HN    "N-Terminal GLH (COOH)"    532
biotype    541  O     "N-Terminal GLH (COOH)"    533
biotype    542  HA    "N-Terminal GLH (COOH)"    534
biotype    543  N     "N-Terminal GLN"    535
biotype    544  CA    "N-Terminal GLN"    536
biotype    545  C     "N-Terminal GLN"    537
biotype    546  HN    "N-Terminal GLN"    538
biotype    547  O     "N-Terminal GLN"    539
biotype    548  HA    "N-Terminal GLN"    540
biotype    549  N     "N-Terminal MET"    541
biotype    550  CA    "N-Terminal MET"    542
biotype    551  C     "N-Terminal MET"    543
biotype    552  HN    "N-Terminal MET"    544
biotype    553  O     "N-Terminal MET"    545
biotype    554  HA    "N-Terminal MET"    546
biotype    555  N     "N-Terminal LYS"    547
biotype    556  CA    "N-Terminal LYS"    548
biotype    557  C     "N-Terminal LYS"    549
biotype    558  HN    "N-Terminal LYS"    550
biotype    559  O     "N-Terminal LYS"    551
biotype    560  HA    "N-Terminal LYS"    552
biotype    561  N     "N-Terminal LYD (NH2)"    553
biotype    562  CA    "N-Terminal LYD (NH2)"    554
biotype    563  C     "N-Terminal LYD (NH2)"    555
biotype    564  HN    "N-Terminal LYD (NH2)"    556
biotype    565  O     "N-Terminal LYD (NH2)"    557
biotype    566  HA    "N-Terminal LYD (NH2)"    558
biotype    567  N     "N-Terminal ARG"    559
biotype    568  CA    "N-Terminal ARG"    560
biotype    569  C     "N-Terminal ARG"    561
biotype    570  HN    "N-Terminal ARG"    562
biotype    571  O     "N-Terminal ARG"    563
biotype    572  HA    "N-Terminal ARG"    564
biotype    573  N     "N-Terminal ORN"    565
biotype    574  CA    "N-Terminal ORN"    566
biotype    575  C     "N-Terminal ORN"    567
biotype    576  HN    "N-Terminal ORN"    568
biotype    577  O     "N-Terminal ORN"    569
biotype    578  HA    "N-Terminal ORN"    570
biotype    579  N     "N-Terminal AIB"    571
biotype    580  CA    "N-Terminal AIB"    572
biotype    581  C     "N-Terminal AIB"    573
biotype    582  HN    "N-Terminal AIB"    574
biotype    583  O     "N-Terminal AIB"    575
biotype    584  N     "C-Terminal GLY"    576
biotype    585  CA    "C-Terminal GLY"    577
biotype    586  C     "C-Terminal GLY"    578
biotype    587  HN    "C-Terminal GLY"    579
biotype    588  OXT   "C-Terminal GLY"    580
biotype    589  HA    "C-Terminal GLY"    581
biotype    590  N     "C-Terminal ALA"    582
biotype    591  CA    "C-Terminal ALA"    583
biotype    592  C     "C-Terminal ALA"    584
biotype    593  HN    "C-Terminal ALA"    585
biotype    594  OXT   "C-Terminal ALA"    586
biotype    595  HA    "C-Terminal ALA"    587
biotype    596  N     "C-Terminal VAL"    588
biotype    597  CA    "C-Terminal VAL"    589
biotype    598  C     "C-Terminal VAL"    590
biotype    599  HN    "C-Terminal VAL"    591
biotype    600  OXT   "C-Terminal VAL"    592
biotype    601  HA    "C-Terminal VAL"    593
biotype    602  N     "C-Terminal LEU"    594
biotype    603  CA    "C-Terminal LEU"    595
biotype    604  C     "C-Terminal LEU"    596
biotype    605  HN    "C-Terminal LEU"    597
biotype    606  OXT   "C-Terminal LEU"    598
biotype    607  HA    "C-Terminal LEU"    599
biotype    608  N     "C-Terminal ILE"    600
biotype    609  CA    "C-Terminal ILE"    601
biotype    610  C     "C-Terminal ILE"    602
biotype    611  HN    "C-Terminal ILE"    603
biotype    612  OXT   "C-Terminal ILE"    604
biotype    613  HA    "C-Terminal ILE"    605
biotype    614  N     "C-Terminal SER"    606
biotype    615  CA    "C-Terminal SER"    607
biotype    616  C     "C-Terminal SER"    608
biotype    617  HN    "C-Terminal SER"    609
biotype    618  OXT   "C-Terminal SER"    610
biotype    619  HA    "C-Terminal SER"    611
biotype    620  N     "C-Terminal THR"    612
biotype    621  CA    "C-Terminal THR"    613
biotype    622  C     "C-Terminal THR"    614
biotype    623  HN    "C-Terminal THR"    615
biotype    624  OXT   "C-Terminal THR"    616
biotype    625  HA    "C-Terminal THR"    617
biotype    626  N     "C-Terminal CYS (SH)"    618
biotype    627  CA    "C-Terminal CYS (SH)"    619
biotype    628  C     "C-Terminal CYS (SH)"    620
biotype    629  HN    "C-Terminal CYS (SH)"    621
biotype    630  OXT   "C-Terminal CYS (SH)"    622
biotype    631  HA    "C-Terminal CYS (SH)"    623
biotype    632  N     "C-Terminal CYX (SS)"    624
biotype    633  CA    "C-Terminal CYX (SS)"    625
biotype    634  C     "C-Terminal CYX (SS)"    626
biotype    635  HN    "C-Terminal CYX (SS)"    627
biotype    636  OXT   "C-Terminal CYX (SS)"    628
biotype    637  HA    "C-Terminal CYX (SS)"    629
biotype    638  N     "C-Terminal CYD (S-)"    630
biotype    639  CA    "C-Terminal CYD (S-)"    631
biotype    640  C     "C-Terminal CYD (S-)"    632
biotype    641  HN    "C-Terminal CYD (S-)"    633
biotype    642  OXT   "C-Terminal CYD (S-)"    634
biotype    643  HA    "C-Terminal CYD (S-)"    635
biotype    644  N     "C-Terminal PRO"    636
biotype    645  CA    "C-Terminal PRO"    637
biotype    646  C     "C-Terminal PRO"    638
biotype    647  OXT   "C-Terminal PRO"    639
biotype    648  HA    "C-Terminal PRO"    640
biotype    649  N     "C-Terminal PHE"    641
biotype    650  CA    "C-Terminal PHE"    642
biotype    651  C     "C-Terminal PHE"    643
biotype    652  HN    "C-Terminal PHE"    644
biotype    653  OXT   "C-Terminal PHE"    645
biotype    654  HA    "C-Terminal PHE"    646
biotype    655  N     "C-Terminal TYR"    647
biotype    656  CA    "C-Terminal TYR"    648
biotype    657  C     "C-Terminal TYR"    649
biotype    658  HN    "C-Terminal TYR"    650
biotype    659  OXT   "C-Terminal TYR"    651
biotype    660  HA    "C-Terminal TYR"    652
biotype    661  N     "C-Terminal TYD (O-)"     -1
biotype    662  CA    "C-Terminal TYD (O-)"     -1
biotype    663  C     "C-Terminal TYD (O-)"     -1
biotype    664  HN    "C-Terminal TYD (O-)"     -1
biotype    665  OXT   "C-Terminal TYD (O-)"     -1
biotype    666  HA    "C-Terminal TYD (O-)"     -1
biotype    667  N     "C-Terminal TRP"    653
biotype    668  CA    "C-Terminal TRP"    654
biotype    669  C     "C-Terminal TRP"    655
biotype    670  HN    "C-Terminal TRP"    656
biotype    671  OXT   "C-Terminal TRP"    657
biotype    672  HA    "C-Terminal TRP"    658
biotype    673  N     "C-Terminal HIS (+)"    659
biotype    674  CA    "C-Terminal HIS (+)"    660
biotype    675  C     "C-Terminal HIS (+)"    661
biotype    676  HN    "C-Terminal HIS (+)"    662
biotype    677  OXT   "C-Terminal HIS (+)"    663
biotype    678  HA    "C-Terminal HIS (+)"    664
biotype    679  N     "C-Terminal HIS (HD)"    665
biotype    680  CA    "C-Terminal HIS (HD)"    666
biotype    681  C     "C-Terminal HIS (HD)"    667
biotype    682  HN    "C-Terminal HIS (HD)"    668
biotype    683  OXT   "C-Terminal HIS (HD)"    669
biotype    684  HA    "C-Terminal HIS (HD)"    670
biotype    685  N     "C-Terminal HIS (HE)"    671
biotype    686  CA    "C-Terminal HIS (HE)"    672
biotype    687  C     "C-Terminal HIS (HE)"    673
biotype    688  HN    "C-Terminal HIS (HE)"    674
biotype    689  OXT   "C-Terminal HIS (HE)"    675
biotype    690  HA    "C-Terminal HIS (HE)"    676
biotype    691  N     "C-Terminal ASP"    677
biotype    692  CA    "C-Terminal ASP"    678
biotype    693  C     "C-Terminal ASP"    679
biotype    694  HN    "C-Terminal ASP"    680
biotype    695  OXT   "C-Terminal ASP"    681
biotype    696  HA    "C-Terminal ASP"    682
biotype    697  N     "C-Terminal ASH (COOH)"    683
biotype    698  CA    "C-Terminal ASH (COOH)"    684
biotype    699  C     "C-Terminal ASH (COOH)"    685
biotype    700  HN    "C-Terminal ASH (COOH)"    686
biotype    701  OXT   "C-Terminal ASH (COOH)"    687
biotype    702  HA    "C-Terminal ASH (COOH)"    688
biotype    703  N     "C-Terminal ASN"    689
biotype    704  CA    "C-Terminal ASN"    690
biotype    705  C     "C-Terminal ASN"    691
biotype    706  HN    "C-Terminal ASN"    692
biotype    707  OXT   "C-Terminal ASN"    693
biotype    708  HA    "C-Terminal ASN"    694
biotype    709  N     "C-Terminal GLU"    695
biotype    710  CA    "C-Terminal GLU"    696
biotype    711  C     "C-Terminal GLU"    697
biotype    712  HN    "C-Terminal GLU"    698
biotype    713  OXT   "C-Terminal GLU"    699
biotype    714  HA    "C-Terminal GLU"    700
biotype    715  N     "C-Terminal GLH (COOH)"    701
biotype    716  CA    "C-Terminal GLH (COOH)"    702
biotype    717  C     "C-Terminal GLH (COOH)"    703
biotype    718  HN    "C-Terminal GLH (COOH)"    704
biotype    719  OXT   "C-Terminal GLH (COOH)"    705
biotype    720  HA    "C-Terminal GLH (COOH)"    706
biotype    721  N     "C-Terminal GLN"    707
biotype    722  CA    "C-Terminal GLN"    708
biotype    723  C     "C-Terminal GLN"    709
biotype    724  HN    "C-Terminal GLN"    710
biotype    725  OXT   "C-Terminal GLN"    711
biotype    726  HA    "C-Terminal GLN"    712
biotype    727  N     "C-Terminal MET"    713
biotype    728  CA    "C-Terminal MET"    714
biotype    729  C     "C-Terminal MET"    715
biotype    730  HN    "C-Terminal MET"    716
biotype    731  OXT   "C-Terminal MET"    717
biotype    732  HA    "C-Terminal MET"    718
biotype    733  N     "C-Terminal LYS"    719
biotype    734  CA    "C-Terminal LYS"    720
biotype    735  C     "C-Terminal LYS"    721
biotype    736  HN    "C-Terminal LYS"    722
biotype    737  OXT   "C-Terminal LYS"    723
biotype    738  HA    "C-Terminal LYS"    724
biotype    739  N     "C-Terminal LYD (NH2)"    725
biotype    740  CA    "C-Terminal LYD (NH2)"    726
biotype    741  C     "C-Terminal LYD (NH2)"    727
biotype    742  HN    "C-Terminal LYD (NH2)"    728
biotype    743  OXT   "C-Terminal LYD (NH2)"    729
biotype    744  HA    "C-Terminal LYD (NH2)"    730
biotype    745  N     "C-Terminal ARG"    731
biotype    746  CA    "C-Terminal ARG"    732
biotype    747  C     "C-Terminal ARG"    733
biotype    748  HN    "C-Terminal ARG"    734
biotype    749  OXT   "C-Terminal ARG"    735
biotype    750  HA    "C-Terminal ARG"    736
biotype    751  N     "C-Terminal ORN"    737
biotype    752  CA    "C-Terminal ORN"    738
biotype    753  C     "C-Terminal ORN"    739
biotype    754  HN    "C-Terminal ORN"    740
biotype    755  OXT   "C-Terminal ORN"    741
biotype    756  HA    "C-Terminal ORN"    742
biotype    757  N     "C-Terminal AIB"    743
biotype    758  CA    "C-Terminal AIB"    744
biotype    759  C     "C-Terminal AIB"    745
biotype    760  HN    "C-Terminal AIB"    746
biotype    761  OXT   "C-Terminal AIB"    747
biotype    762  N     "Deprotonated N-Terminus"     -1
biotype    763  H     "Deprotonated N-Terminus"     -1
biotype    764  C     "Formyl N-Terminus"    388
biotype    765  H     "Formyl N-Terminus"    389
biotype    766  O     "Formyl N-Terminus"    390
biotype    767  CH3   "Acetyl N-Terminus"    391
biotype    768  H     "Acetyl N-Terminus"    392
biotype    769  C     "Acetyl N-Terminus"    393
biotype    770  O     "Acetyl N-Terminus"    394
biotype    771  C     "Protonated C-Terminus"     -1
biotype    772  O     "Protonated C-Terminus"     -1
biotype    773  OH    "Protonated C-Terminus"     -1
biotype    774  HO    "Protonated C-Terminus"     -1
biotype    775  N     "Amide C-Terminus"    395
biotype    776  HN    "Amide C-Terminus"    396
biotype    777  N     "N-MeAmide C-Terminus"    397
biotype    778  HN    "N-MeAmide C-Terminus"    398
biotype    779  C     "N-MeAmide C-Terminus"    399
biotype    780  H     "N-MeAmide C-Terminus"    400
biotype   1001  O5*   "Adenosine"    748
biotype   1002  C5*   "Adenosine"    749
biotype   1003  H5*1  "Adenosine"    750
biotype   1004  H5*2  "Adenosine"    751
biotype   1005  C4*   "Adenosine"    752
biotype   1006  H4*   "Adenosine"    753
biotype   1007  O4*   "Adenosine"    754
biotype   1008  C1*   "Adenosine"    755
biotype   1009  H1*   "Adenosine"    756
biotype   1010  C3*   "Adenosine"    757
biotype   1011  H3*   "Adenosine"    758
biotype   1012  C2*   "Adenosine"    759
biotype   1013  H2*   "Adenosine"    760
biotype   1014  O2*   "Adenosine"    761
biotype   1015  HO*   "Adenosine"    762
biotype   1016  O3*   "Adenosine"    763
biotype   1017  N9    "Adenosine"    764
biotype   1018  C4    "Adenosine"    765
biotype   1019  C5    "Adenosine"    766
biotype   1020  N7    "Adenosine"    767
biotype   1021  C8    "Adenosine"    768
biotype   1022  N3    "Adenosine"    769
biotype   1023  C2    "Adenosine"    770
biotype   1024  N1    "Adenosine"    771
biotype   1025  C6    "Adenosine"    772
biotype   1026  H2    "Adenosine"    773
biotype   1027  N6    "Adenosine"    774
biotype   1028  H61   "Adenosine"    775
biotype   1029  H62   "Adenosine"    776
biotype   1030  H8    "Adenosine"    777
biotype   1031  O5*   "Guanosine"    778
biotype   1032  C5*   "Guanosine"    779
biotype   1033  H5*1  "Guanosine"    780
biotype   1034  H5*2  "Guanosine"    781
biotype   1035  C4*   "Guanosine"    782
biotype   1036  H4*   "Guanosine"    783
biotype   1037  O4*   "Guanosine"    784
biotype   1038  C1*   "Guanosine"    785
biotype   1039  H1*   "Guanosine"    786
biotype   1040  C3*   "Guanosine"    787
biotype   1041  H3*   "Guanosine"    788
biotype   1042  C2*   "Guanosine"    789
biotype   1043  H2*   "Guanosine"    790
biotype   1044  O2*   "Guanosine"    791
biotype   1045  HO*   "Guanosine"    792
biotype   1046  O3*   "Guanosine"    793
biotype   1047  N9    "Guanosine"    794
biotype   1048  C4    "Guanosine"    795
biotype   1049  C5    "Guanosine"    796
biotype   1050  N7    "Guanosine"    797
biotype   1051  C8    "Guanosine"    798
biotype   1052  N3    "Guanosine"    799
biotype   1053  C2    "Guanosine"    800
biotype   1054  N1    "Guanosine"    801
biotype   1055  C6    "Guanosine"    802
biotype   1056  H1    "Guanosine"    803
biotype   1057  N2    "Guanosine"    804
biotype   1058  H21   "Guanosine"    805
biotype   1059  H22   "Guanosine"    806
biotype   1060  O6    "Guanosine"    807
biotype   1061  H8    "Guanosine"    808
biotype   1062  O5*   "Cytidine"    809
biotype   1063  C5*   "Cytidine"    810
biotype   1064  H5*1  "Cytidine"    811
biotype   1065  H5*2  "Cytidine"    812
biotype   1066  C4*   "Cytidine"    813
biotype   1067  H4*   "Cytidine"    814
biotype   1068  O4*   "Cytidine"    815
biotype   1069  C1*   "Cytidine"    816
biotype   1070  H1*   "Cytidine"    817
biotype   1071  C3*   "Cytidine"    818
biotype   1072  H3*   "Cytidine"    819
biotype   1073  C2*   "Cytidine"    820
biotype   1074  H2*   "Cytidine"    821
biotype   1075  O2*   "Cytidine"    822
biotype   1076  HO*   "Cytidine"    823
biotype   1077  O3*   "Cytidine"    824
biotype   1078  N1    "Cytidine"    825
biotype   1079  C2    "Cytidine"    826
biotype   1080  N3    "Cytidine"    827
biotype   1081  C4    "Cytidine"    828
biotype   1082  C5    "Cytidine"    829
biotype   1083  C6    "Cytidine"    830
biotype   1084  O2    "Cytidine"    831
biotype   1085  N4    "Cytidine"    832
biotype   1086  H41   "Cytidine"    833
biotype   1087  H42   "Cytidine"    834
biotype   1088  H5    "Cytidine"    835
biotype   1089  H6    "Cytidine"    836
biotype   1090  O5*   "Uridine"    837
biotype   1091  C5*   "Uridine"    838
biotype   1092  H5*1  "Uridine"    839
biotype   1093  H5*2  "Uridine"    840
biotype   1094  C4*   "Uridine"    841
biotype   1095  H4*   "Uridine"    842
biotype   1096  O4*   "Uridine"    843
biotype   1097  C1*   "Uridine"    844
biotype   1098  H1*   "Uridine"    845
biotype   1099  C3*   "Uridine"    846
biotype   1100  H3*   "Uridine"    847
biotype   1101  C2*   "Uridine"    848
biotype   1102  H2*   "Uridine"    849
biotype   1103  O2*   "Uridine"    850
biotype   1104  HO*   "Uridine"    851
biotype   1105  O3*   "Uridine"    852
biotype   1106  N1    "Uridine"    853
biotype   1107  C2    "Uridine"    854
biotype   1108  N3    "Uridine"    855
biotype   1109  C4    "Uridine"    856
biotype   1110  C5    "Uridine"    857
biotype   1111  C6    "Uridine"    858
biotype   1112  O2    "Uridine"    859
biotype   1113  H3    "Uridine"    860
biotype   1114  O4    "Uridine"    861
biotype   1115  H5    "Uridine"    862
biotype   1116  H6    "Uridine"    863
biotype   1117  O5*   "Deoxyadenosine"    864
biotype   1118  C5*   "Deoxyadenosine"    865
biotype   1119  H5*1  "Deoxyadenosine"    866
biotype   1120  H5*2  "Deoxyadenosine"    867
biotype   1121  C4*   "Deoxyadenosine"    868
biotype   1122  H4*   "Deoxyadenosine"    869
biotype   1123  O4*   "Deoxyadenosine"    870
biotype   1124  C1*   "Deoxyadenosine"    871
biotype   1125  H1*   "Deoxyadenosine"    872
biotype   1126  C3*   "Deoxyadenosine"    873
biotype   1127  H3*   "Deoxyadenosine"    874
biotype   1128  C2*   "Deoxyadenosine"    875
biotype   1129  H2*1  "Deoxyadenosine"    876
biotype   1130  H2*2  "Deoxyadenosine"    877
biotype   1131  O3*   "Deoxyadenosine"    878
biotype   1132  N9    "Deoxyadenosine"    879
biotype   1133  C4    "Deoxyadenosine"    880
biotype   1134  C5    "Deoxyadenosine"    881
biotype   1135  N7    "Deoxyadenosine"    882
biotype   1136  C8    "Deoxyadenosine"    883
biotype   1137  N3    "Deoxyadenosine"    884
biotype   1138  C2    "Deoxyadenosine"    885
biotype   1139  N1    "Deoxyadenosine"    886
biotype   1140  C6    "Deoxyadenosine"    887
biotype   1141  H2    "Deoxyadenosine"    888
biotype   1142  N6    "Deoxyadenosine"    889
biotype   1143  H61   "Deoxyadenosine"    890
biotype   1144  H62   "Deoxyadenosine"    891
biotype   1145  H8    "Deoxyadenosine"    892
biotype   1146  O5*   "Deoxyguanosine"    893
biotype   1147  C5*   "Deoxyguanosine"    894
biotype   1148  H5*1  "Deoxyguanosine"    895
biotype   1149  H5*2  "Deoxyguanosine"    896
biotype   1150  C4*   "Deoxyguanosine"    897
biotype   1151  H4*   "Deoxyguanosine"    898
biotype   1152  O4*   "Deoxyguanosine"    899
biotype   1153  C1*   "Deoxyguanosine"    900
biotype   1154  H1*   "Deoxyguanosine"    901
biotype   1155  C3*   "Deoxyguanosine"    902
biotype   1156  H3*   "Deoxyguanosine"    903
biotype   1157  C2*   "Deoxyguanosine"    904
biotype   1158  H2*1  "Deoxyguanosine"    905
biotype   1159  H2*2  "Deoxyguanosine"    906
biotype   1160  O3*   "Deoxyguanosine"    907
biotype   1161  N9    "Deoxyguanosine"    908
biotype   1162  C4    "Deoxyguanosine"    909
biotype   1163  C5    "Deoxyguanosine"    910
biotype   1164  N7    "Deoxyguanosine"    911
biotype   1165  C8    "Deoxyguanosine"    912
biotype   1166  N3    "Deoxyguanosine"    913
biotype   1167  C2    "Deoxyguanosine"    914
biotype   1168  N1    "Deoxyguanosine"    915
biotype   1169  C6    "Deoxyguanosine"    916
biotype   1170  H1    "Deoxyguanosine"    917
biotype   1171  N2    "Deoxyguanosine"    918
biotype   1172  H21   "Deoxyguanosine"    919
biotype   1173  H22   "Deoxyguanosine"    920
biotype   1174  O6    "Deoxyguanosine"    921
biotype   1175  H8    "Deoxyguanosine"    922
biotype   1176  O5*   "Deoxycytidine"    923
biotype   1177  C5*   "Deoxycytidine"    924
biotype   1178  H5*1  "Deoxycytidine"    925
biotype   1179  H5*2  "Deoxycytidine"    926
biotype   1180  C4*   "Deoxycytidine"    927
biotype   1181  H4*   "Deoxycytidine"    928
biotype   1182  O4*   "Deoxycytidine"    929
biotype   1183  C1*   "Deoxycytidine"    930
biotype   1184  H1*   "Deoxycytidine"    931
biotype   1185  C3*   "Deoxycytidine"    932
biotype   1186  H3*   "Deoxycytidine"    933
biotype   1187  C2*   "Deoxycytidine"    934
biotype   1188  H2*1  "Deoxycytidine"    935
biotype   1189  H2*2  "Deoxycytidine"    936
biotype   1190  O3*   "Deoxycytidine"    937
biotype   1191  N1    "Deoxycytidine"    938
biotype   1192  C2    "Deoxycytidine"    939
biotype   1193  N3    "Deoxycytidine"    940
biotype   1194  C4    "Deoxycytidine"    941
biotype   1195  C5    "Deoxycytidine"    942
biotype   1196  C6    "Deoxycytidine"    943
biotype   1197  O2    "Deoxycytidine"    944
biotype   1198  N4    "Deoxycytidine"    945
biotype   1199  H41   "Deoxycytidine"    946
biotype   1200  H42   "Deoxycytidine"    947
biotype   1201  H5    "Deoxycytidine"    948
biotype   1202  H6    "Deoxycytidine"    949
biotype   1203  O5*   "Deoxythymidine"    950
biotype   1204  C5*   "Deoxythymidine"    951
biotype   1205  H5*1  "Deoxythymidine"    952
biotype   1206  H5*2  "Deoxythymidine"    953
biotype   1207  C4*   "Deoxythymidine"    954
biotype   1208  H4*   "Deoxythymidine"    955
biotype   1209  O4*   "Deoxythymidine"    956
biotype   1210  C1*   "Deoxythymidine"    957
biotype   1211  H1*   "Deoxythymidine"    958
biotype   1212  C3*   "Deoxythymidine"    959
biotype   1213  H3*   "Deoxythymidine"    960
biotype   1214  C2*   "Deoxythymidine"    961
biotype   1215  H2*1  "Deoxythymidine"    962
biotype   1216  H2*2  "Deoxythymidine"    963
biotype   1217  O3*   "Deoxythymidine"    964
biotype   1218  N1    "Deoxythymidine"    965
biotype   1219  C2    "Deoxythymidine"    966
biotype   1220  N3    "Deoxythymidine"    967
biotype   1221  C4    "Deoxythymidine"    968
biotype   1222  C5    "Deoxythymidine"    969
biotype   1223  C6    "Deoxythymidine"    970
biotype   1224  O2    "Deoxythymidine"    971
biotype   1225  H3    "Deoxythymidine"    972
biotype   1226  O4    "Deoxythymidine"    973
biotype   1227  C7    "Deoxythymidine"    974
biotype   1228  H7    "Deoxythymidine"    975
biotype   1229  H6    "Deoxythymidine"    976
biotype   1230  P     "Phosphodiester RNA"    977
biotype   1231  OP    "Phosphodiester RNA"    978
biotype   1232  O5*   "5-Hydroxyl RNA"    979
biotype   1233  H5T   "5-Hydroxyl RNA"    980
biotype   1234  O5*   "5-Monophosphate OS RNA"    981
biotype   1235  P     "5-Monophosphate P RNA"    982
biotype   1236  OP    "5-Monophosphate OP RNA"    983
biotype   1237  O3*   "3-Hydroxyl RNA"    984
biotype   1238  H3T   "3-Hydroxyl RNA"    985
biotype   1239  O3*   "3-Monophosphate OS RNA"    986
biotype   1240  P     "3-Monophosphate P RNA"    987
biotype   1241  OP    "3-Monophosphate OP RNA"    988
biotype   1242  P     "Phosphodiester DNA"    989
biotype   1243  OP    "Phosphodiester DNA"    990
biotype   1244  O5*   "5-Hydroxyl DNA"    991
biotype   1245  H5T   "5-Hydroxyl DNA"    992
biotype   1246  O5*   "5-Monophosphate OS DNA"    993
biotype   1247  P     "5-Monophosphate P DNA"    994
biotype   1248  OP    "5-Monophosphate OP DNA"    995
biotype   1249  O3*   "3-Hydroxyl DNA"    996
biotype   1250  H3T   "3-Hydroxyl DNA"    997
biotype   1251  O3*   "3-Monophosphate OS DNA"    998
biotype   1252  P     "3-Monophosphate P DNA"    999
biotype   1253  OP    "3-Monophosphate OP DNA"   1000
biotype   2001  O     "Water"   1001
biotype   2002  H     "Water"   1002
biotype   2003  EP    "Water"      0
biotype   2004  LI    "Lithium Ion"   1003
biotype   2005  NA    "Sodium Ion"   1004
biotype   2006  K     "Potassium Ion"   1005
biotype   2007  RB    "Rubidium Ion"   1006
biotype   2008  CS    "Cesium Ion"   1007
biotype   2009  MG    "Magnesium Ion"   1008
biotype   2010  CA    "Calcium Ion"   1009
biotype   2011  SR    "Strontium Ion"   1010
biotype   2012  BA    "Barium Ion"   1011
biotype   2013  F     "Fluoride Ion"   1012
biotype   2014  CL    "Chloride Ion"   1013
biotype   2015  BR    "Bromide Ion"   1014
biotype   2016  I     "Iodide Ion"   1015
biotype   2017  ZN    "Zinc Ion"   1016

bond      1      1   310.00   1.5250
bond      1      2   469.00   1.4090
bond      1      3   447.00   1.4190
bond      1      8   410.00   1.4440
bond      1     14   410.00   1.4440
bond      1     15   317.00   1.5220
bond      1     18   317.00   1.5220
bond      1     20   410.00   1.4440
bond      1     22   410.00   1.4440
bond      1     26   317.00   1.5220
bond      1     28   490.00   1.3350
bond      1     29   418.00   1.3880
bond      1     31   457.00   1.3580
bond      1     32   424.00   1.3830
bond      1     35   570.00   1.2290
bond      1     36   450.00   1.3640
bond      1     37   450.00   1.3230
bond      1     39   656.00   1.2500
bond      1     52   367.00   1.0800
bond      1     53   367.00   1.0800
bond      2      2   469.00   1.4000
bond      2      3   469.00   1.4040
bond      2      8   427.00   1.4330
bond      2      9   469.00   1.4000
bond      2     14   427.00   1.4330
bond      2     15   317.00   1.5100
bond      2     20   427.00   1.4330
bond      2     22   427.00   1.4330
bond      2     26   317.00   1.5100
bond      2     29   427.00   1.3810
bond      2     31   483.00   1.3390
bond      2     33   481.00   1.3400
bond      2     36   450.00   1.3640
bond      2     44   367.00   1.0800
bond      2     52   367.00   1.0800
bond      3      3   520.00   1.3700
bond      3      9   447.00   1.4190
bond      3     19   388.00   1.4590
bond      3     30   414.00   1.3910
bond      3     31   461.00   1.3540
bond      3     32   436.00   1.3740
bond      4     15   317.00   1.5040
bond      4     16   512.00   1.3750
bond      4     17   518.00   1.3710
bond      4     26   317.00   1.5040
bond      4     29   422.00   1.3850
bond      4     30   410.00   1.3940
bond      5     15   310.00   1.5260
bond      5     36   320.00   1.4100
bond      5     37   320.00   1.4100
bond      5     50   340.00   1.0900
bond      6     15   310.00   1.5260
bond      6     36   320.00   1.4100
bond      6     37   320.00   1.4100
bond      6     50   340.00   1.0900
bond      7     30   529.00   1.3040
bond      7     32   440.00   1.3710
bond      7     53   367.00   1.0800
bond      8      8   549.00   1.3500
bond      8     15   317.00   1.5100
bond      8     32   448.00   1.3650
bond      8     37   480.00   1.2400
bond      8     44   367.00   1.0800
bond      8     52   367.00   1.0800
bond      8     53   367.00   1.0800
bond      9     29   428.00   1.3800
bond     10     26   317.00   1.5220
bond     10     39   656.00   1.2500
bond     11     30   529.00   1.3040
bond     11     32   440.00   1.3710
bond     11     53   367.00   1.0800
bond     12     31   502.00   1.3240
bond     12     53   367.00   1.0800
bond     13     29   477.00   1.3430
bond     13     30   488.00   1.3350
bond     13     53   367.00   1.0800
bond     14     14   549.00   1.3500
bond     14     15   317.00   1.5100
bond     14     32   448.00   1.3650
bond     14     37   480.00   1.2400
bond     14     44   367.00   1.0800
bond     14     52   367.00   1.0800
bond     14     53   367.00   1.0800
bond     15     15   310.00   1.5260
bond     15     18   310.00   1.5260
bond     15     19   317.00   1.4950
bond     15     20   317.00   1.5100
bond     15     22   317.00   1.5100
bond     15     24   310.00   1.5260
bond     15     26   310.00   1.5260
bond     15     27   310.00   1.5260
bond     15     28   337.00   1.4490
bond     15     32   337.00   1.4750
bond     15     33   337.00   1.4630
bond     15     34   367.00   1.4710
bond     15     36   320.00   1.4100
bond     15     37   320.00   1.4100
bond     15     40   227.00   1.8100
bond     15     41   237.00   1.8100
bond     15     45   340.00   1.0900
bond     15     47   340.00   1.0900
bond     15     50   340.00   1.0900
bond     15     51   340.00   1.0900
bond     16     30   410.00   1.3940
bond     16     52   367.00   1.0800
bond     17     19   546.00   1.3520
bond     17     29   427.00   1.3810
bond     17     52   367.00   1.0800
bond     18     25   310.00   1.5260
bond     18     26   310.00   1.5260
bond     18     27   310.00   1.5260
bond     18     28   337.00   1.4490
bond     18     34   367.00   1.4710
bond     18     47   340.00   1.0900
bond     18     50   340.00   1.0900
bond     19     26   317.00   1.4950
bond     19     45   367.00   1.0800
bond     20     20   549.00   1.3500
bond     20     32   448.00   1.3650
bond     20     44   367.00   1.0800
bond     20     52   367.00   1.0800
bond     21     30   529.00   1.3040
bond     21     32   440.00   1.3710
bond     21     53   367.00   1.0800
bond     22     22   549.00   1.3500
bond     22     32   448.00   1.3650
bond     22     44   367.00   1.0800
bond     22     52   367.00   1.0800
bond     23     30   529.00   1.3040
bond     23     32   440.00   1.3710
bond     23     53   367.00   1.0800
bond     24     36   320.00   1.4100
bond     24     37   320.00   1.4100
bond     24     50   340.00   1.0900
bond     25     25   310.00   1.5260
bond     25     33   337.00   1.4630
bond     25     34   367.00   1.4710
bond     25     45   340.00   1.0900
bond     25     47   340.00   1.0900
bond     25     50   340.00   1.0900
bond     26     26   310.00   1.5260
bond     26     27   310.00   1.5260
bond     26     36   320.00   1.4100
bond     26     40   227.00   1.8100
bond     26     41   237.00   1.8100
bond     26     45   340.00   1.0900
bond     26     50   340.00   1.0900
bond     27     36   320.00   1.4100
bond     27     45   340.00   1.0900
bond     27     50   340.00   1.0900
bond     28     43   434.00   1.0100
bond     29     42   250.00   1.8400
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imptors     0     0     1    35  10.500 180.000 2
imptors     0    39     1    39  10.500 180.000 2
imptors     2     2     1    36   1.100 180.000 2
imptors     2     2     1    37   1.100 180.000 2
imptors     8    52     1    35   1.100 180.000 2
imptors    14    52     1    35   1.100 180.000 2
imptors    15    35     1    36  10.500 180.000 2
imptors    26    35     1    36  10.500 180.000 2
imptors    53    35     1    36   1.100 180.000 2
imptors    53    35     1    37   1.100 180.000 2
imptors     0     0     2    44   1.100 180.000 2
imptors     0     0     2    52   1.100 180.000 2
imptors     0     0     2    53   1.100 180.000 2
imptors     0    33     2    33  10.500 180.000 2
imptors     2     2     2    15   1.100 180.000 2
imptors     2     2     2    26   1.100 180.000 2
imptors     2     2     2    36   1.100 180.000 2
imptors     3    33     2    31   1.100 180.000 2
imptors     8    33     2    31   1.100 180.000 2
imptors    14    33     2    31   1.100 180.000 2
imptors    20    33     2    31   1.100 180.000 2
imptors    22    33     2    31   1.100 180.000 2
imptors    33    29     2    31   1.100 180.000 2
imptors    19     9     3     2   0.000 180.000 2
imptors    30     1     3     3   0.000 180.000 2
imptors    30     2     3     3   0.000 180.000 2
imptors    32     3     3    31   0.000 180.000 2
imptors    15    16     4    29   1.100 180.000 2
imptors    15    17     4    29   1.100 180.000 2
imptors    15    17     4    30   1.100 180.000 2
imptors    36    50     6    15   0.000 180.000 2
imptors    36    50     6    50   0.000 180.000 2
imptors    37    50     6    15   0.000 180.000 2
imptors    37    50     6    50   0.000 180.000 2
imptors    50    50     6    15   0.000 180.000 2
imptors     0     0     7    53   1.100 180.000 2
imptors     0     0     8    44   1.100 180.000 2
imptors     0     0     8    52   1.100 180.000 2
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imptors     1    14     8    15   1.100 180.000 2
imptors     8    15     8    44   1.100 180.000 2
imptors    29     2     9     3   0.000 180.000 2
imptors     0    39    10    39  10.500 180.000 2
imptors     0     0    11    53   1.100 180.000 2
imptors     0     0    12    53   1.100 180.000 2
imptors     0     0    13    53   1.100 180.000 2
imptors     0     0    14    44   1.100 180.000 2
imptors     0     0    14    52   1.100 180.000 2
imptors     1    14    14    15   1.100 180.000 2
imptors    14    15    14    44   1.100 180.000 2
imptors     0     0    16    52   1.100 180.000 2
imptors     0     0    17    52   1.100 180.000 2
imptors     3    15    19    17   1.100 180.000 2
imptors     0     0    20    44   1.100 180.000 2
imptors     0     0    20    52   1.100 180.000 2
imptors     1    20    20    15   1.100 180.000 2
imptors     0     0    21    53   1.100 180.000 2
imptors     0     0    22    44   1.100 180.000 2
imptors     0     0    22    52   1.100 180.000 2
imptors     1    22    22    15   1.100 180.000 2
imptors     0     0    23    53   1.100 180.000 2
imptors     0     0    28    43   1.000 180.000 2
imptors     0    15    28    15   1.000 180.000 2
imptors     0    15    28    18   1.000 180.000 2
imptors     1    15    28    35   1.100 180.000 2
imptors     1    15    28    43   1.100 180.000 2
imptors     1    18    28    43   1.100 180.000 2
imptors     0     0    29    43   1.000 180.000 2
imptors    13     4    29    42   1.100 180.000 2
imptors     1     8    32    15   1.000 180.000 2
imptors     1    14    32    15   1.000 180.000 2
imptors     1    20    32    15   1.000 180.000 2
imptors     1    22    32    15   1.000 180.000 2
imptors     3     7    32    15   1.000 180.000 2
imptors     3    11    32    15   1.000 180.000 2
imptors     3    21    32    15   1.000 180.000 2
imptors     3    23    32    15   1.000 180.000 2
imptors     0     0    33    43   1.000 180.000 2

torsion     0     1     1     0   3.625 180.000 2
torsion     0     1     2     0   3.625 180.000 2
torsion     0     1     3     0   3.000 180.000 2
torsion     0     1     8     0   2.175 180.000 2
torsion    35     1     8     8   2.175 180.000 2   0.300   0.000 3
torsion     0     1    14     0   2.175 180.000 2
torsion    35     1    14    14   2.175 180.000 2   0.300   0.000 3
torsion     0     1    15     0   0.000   0.000 1
torsion    28     1    15    15   0.200   0.000 1   0.200   0.000 2   0.400   0.000 3
torsion    28     1    15    18   0.200   0.000 1   0.200   0.000 2   0.400   0.000 3
torsion    35     1    15    45   0.800   0.000 1   0.080 180.000 3
torsion    35     1    15    50   0.800   0.000 1   0.080 180.000 3
torsion     0     1    18     0   0.000   0.000 1
torsion    28     1    18    15   0.200   0.000 1   0.200   0.000 2   0.400   0.000 3
torsion    28     1    18    25   0.200   0.000 1   0.200   0.000 2   0.400   0.000 3
torsion    28     1    18    26   0.200   0.000 1   0.200   0.000 2   0.400   0.000 3
torsion    28     1    18    27   0.200   0.000 1   0.200   0.000 2   0.400   0.000 3
torsion    28     1    18    28   0.450 180.000 1   1.580 180.000 2   0.550 180.000 3
torsion    35     1    18    50   0.800   0.000 1   0.080 180.000 3
torsion     0     1    20     0   2.175 180.000 2
torsion    35     1    20    20   2.175 180.000 2   0.300   0.000 3
torsion     0     1    22     0   2.175 180.000 2
torsion    35     1    22    22   2.175 180.000 2   0.300   0.000 3
torsion    28     1    26    18   0.828 180.000 1   0.485 180.000 2   0.301 180.000 3   0.008   0.000 4
torsion    28     1    26    26   0.609 180.000 1   0.845 180.000 2   0.085 180.000 3   0.042   0.000 4
torsion    28     1    26    45   0.000   0.000 1
torsion    35     1    26    18   0.000   0.000 1
torsion    35     1    26    26   0.000   0.000 1
torsion    35     1    26    45   0.800   0.000 1   0.080 180.000 3
torsion    36     1    26    18   1.199 180.000 1   0.575 180.000 2   0.008   0.000 3   0.199 180.000 4
torsion    36     1    26    26   0.824 180.000 1   1.104 180.000 2   0.025 180.000 3   0.066 180.000 4
torsion    36     1    26    45   0.000   0.000 1
torsion     0     1    28     0   2.500 180.000 2
torsion    35     1    28    43   2.000   0.000 1   2.500 180.000 2
torsion     0     1    29     0   1.350 180.000 2
torsion     0     1    31     0   4.000 180.000 2
torsion     0     1    32     0   1.450 180.000 2
torsion     0     1    35     0   2.800 180.000 2
torsion     0     1    36     0   2.300 180.000 2
torsion     2     1    36    46   0.883 180.000 2   0.065   0.000 4
torsion    26     1    36    46   0.448 180.000 1   2.706 180.000 2   0.479   0.000 3   0.113   0.000 4
torsion    35     1    36    46   1.900   0.000 1   2.300 180.000 2
torsion     0     1    37     0   2.700 180.000 2
torsion    35     1    37    15   1.400 180.000 1   2.700 180.000 2
torsion     0     2     2     0   3.625 180.000 2
torsion     0     2     3     0   3.625 180.000 2
torsion     0     2     8     0   2.550 180.000 2
torsion     0     2     9     0   3.625 180.000 2
torsion     0     2    14     0   2.550 180.000 2
torsion     0     2    15     0   0.000   0.000 1
torsion     2     2    15    18   0.069 180.000 2   0.048 180.000 4
torsion     0     2    20     0   2.550 180.000 2
torsion     0     2    22     0   3.625 180.000 2
torsion     0     2    26     0   0.000   0.000 1
torsion     0     2    29     0   1.500 180.000 2
torsion     0     2    31     0   4.800 180.000 2
torsion     0     2    33     0   2.400 180.000 2
torsion    33     2    33    25   2.400 180.000 2
torsion    33     2    33    43   2.400 180.000 2
torsion     0     2    36     0   0.900 180.000 2
torsion     0     3     3     0   5.450 180.000 2
torsion     0     3     9     0   3.000 180.000 2
torsion     0     3    18     0   0.156   0.000 3
torsion     0     3    19     0   1.675 180.000 2
torsion     0     3    30     0   2.550 180.000 2
torsion     0     3    31     0   4.150 180.000 2
torsion     0     3    32     0   1.650 180.000 2
torsion     0     3    33     0   0.000   0.000 1
torsion     0     3    34     0   0.156   0.000 3
torsion     0     4    15     0   0.000   0.000 1
torsion    16     4    15    18   0.674 180.000 1   0.750   0.000 2   0.122 180.000 3   0.010 180.000 4
torsion    29     4    15    18   0.160 180.000 1   0.392 180.000 2   0.686   0.000 3   0.037 180.000 4
torsion    30     4    15    18   0.690   0.000 1   0.204   0.000 2   0.740   0.000 3   0.047 180.000 4
torsion     0     4    16     0   5.150 180.000 2
torsion    26     4    16    30   5.150 180.000 2
torsion    26     4    16    52   5.150 180.000 2
torsion     0     4    17     0   5.375 180.000 2
torsion    26     4    17    29   5.375 180.000 2
torsion    26     4    17    52   5.375 180.000 2
torsion    16     4    26    45   0.000   0.000 1
torsion    17     4    26    45   0.000   0.000 1
torsion    29     4    26    45   0.000   0.000 1
torsion    30     4    26    45   0.000   0.000 1
torsion     0     4    29     0   1.400 180.000 2
torsion    26     4    29    13   1.400 180.000 2
torsion    26     4    29    43   1.400 180.000 2
torsion     0     4    30     0   2.400 180.000 2
torsion    26     4    30    13   2.400 180.000 2
torsion     0     5    15     0   0.156   0.000 3
torsion    36     5    15    15   1.178 190.977 1   0.092 295.633 2   0.963 348.095 3
torsion    36     5    15    50   0.250   0.000 1
torsion    37     5    15    15   1.178 190.977 1   0.092 295.633 2   0.963 348.095 3
torsion    37     5    15    50   0.250   0.000 1
torsion    50     5    15    36   0.250   0.000 1
torsion    50     5    15    37   0.250   0.000 1
torsion     0     5    36     0   0.167   0.000 3
torsion     0     5    37     0   0.383   0.000 3
torsion     0     6    15     0   0.156   0.000 3
torsion    36     6    15    15   1.178 190.977 1   0.092 295.633 2   0.963 348.095 3
torsion    36     6    15    24   1.178 190.977 1   0.092 295.633 2   0.963 348.095 3
torsion    36     6    15    50   0.250   0.000 1
torsion    37     6    15    15   1.178 190.977 1   0.092 295.633 2   0.963 348.095 3
torsion    37     6    15    24   1.178 190.977 1   0.092 295.633 2   0.963 348.095 3
torsion    37     6    15    50   0.250   0.000 1
torsion    50     6    15    36   0.250   0.000 1
torsion    50     6    15    37   0.250   0.000 1
torsion     0     6    36     0   0.167   0.000 3
torsion     0     6    37     0   0.383   0.000 3
torsion    15     6    37    42   0.528  23.578 1   0.091 223.648 2   0.536 181.607 3   0.080 215.181 4
torsion     0     7    30     0  10.000 180.000 2
torsion     0     7    32     0   1.700 180.000 2
torsion     0     8     8     0   6.650 180.000 2
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torsion     0     8    15     0   0.000   0.000 1
torsion     8     8    15    45   1.150   0.000 1   0.380 180.000 3
torsion     0     8    32     0   1.850 180.000 2
torsion     0     8    37     0   1.050 180.000 2
torsion     0     9    29     0   1.525 180.000 2
torsion    39    10    26    18   0.769 180.000 2   0.031 180.000 4
torsion    39    10    26    26   0.390 180.000 2   0.064   0.000 4
torsion    39    10    26    45   0.000   0.000 1
torsion     0    11    30     0  10.000 180.000 2
torsion     0    11    32     0   1.700 180.000 2
torsion     0    12    31     0   6.800 180.000 2
torsion     0    13    29     0   2.325 180.000 2
torsion     0    13    30     0   5.000 180.000 2
torsion     0    14    14     0   6.650 180.000 2
torsion    15    14    14    15   1.900 180.000 1   6.650 180.000 2
torsion     0    14    15     0   0.000   0.000 1
torsion    14    14    15    45   1.150   0.000 1   0.380 180.000 3
torsion     0    14    32     0   1.850 180.000 2
torsion     0    14    37     0   1.050 180.000 2
torsion     0    15    15     0   0.156   0.000 3
torsion     5    15    15    15   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion     6    15    15    15   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion    15    15    15    15   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion    15    15    15    18   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion    15    15    15    45   0.160   0.000 3
torsion    18    15    15    45   0.160   0.000 3
torsion    28    15    15    36   1.490   0.000 2   0.156   0.000 3
torsion    36    15    15    36   1.175   0.000 2   0.144   0.000 3
torsion    36    15    15    37   1.175   0.000 2   0.144   0.000 3
torsion    36    15    15    45   0.250   0.000 1
torsion    36    15    15    50   0.250   0.000 1
torsion    37    15    15    37   1.175   0.000 2   0.144   0.000 3
torsion    37    15    15    45   0.250   0.000 1
torsion    37    15    15    50   0.250   0.000 1
torsion    45    15    15    45   0.150   0.000 3
torsion     0    15    18     0   0.156   0.000 3
torsion     2    15    18     1   0.055   0.000 1   0.469 180.000 2   0.192   0.000 3   0.012 180.000 4
torsion     2    15    18    28   0.012 180.000 1   0.290 180.000 2   0.192   0.000 3   0.007 180.000 4
torsion     2    15    18    34   0.012 180.000 1   0.290 180.000 2   0.192   0.000 3   0.007 180.000 4
torsion     4    15    18     1   0.143 180.000 1   0.244 180.000 2   0.219   0.000 3   0.025   0.000 4
torsion     4    15    18    28   0.306 180.000 1   0.221 180.000 2   0.219   0.000 3   0.089   0.000 4
torsion     4    15    18    34   0.306 180.000 1   0.221 180.000 2   0.219   0.000 3   0.089   0.000 4
torsion    19    15    18     1   0.017 180.000 1   0.353 180.000 2   0.234   0.000 3   0.074   0.000 4
torsion    19    15    18    28   0.079   0.000 1   0.313 180.000 2   0.234   0.000 3   0.031   0.000 4
torsion    19    15    18    34   0.079   0.000 1   0.313 180.000 2   0.234   0.000 3   0.031   0.000 4
torsion    36    15    18    50   0.250   0.000 1
torsion     0    15    19     0   0.000   0.000 1
torsion    18    15    19     3   0.365   0.000 1   0.408   0.000 2   0.819   0.000 3   0.095 180.000 4
torsion    18    15    19    17   0.000   0.000 1
torsion     0    15    20     0   0.000   0.000 1
torsion    45    15    20    20   1.150   0.000 1   0.380 180.000 3
torsion     0    15    22     0   0.000   0.000 1
torsion    45    15    22    22   1.150   0.000 1   0.380 180.000 3
torsion     0    15    24     0   0.156   0.000 3
torsion     6    15    24    15   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion    15    15    24    15   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion    36    15    24    36   1.175   0.000 2   0.144   0.000 3
torsion    36    15    24    37   1.175   0.000 2   0.144   0.000 3
torsion    36    15    24    51   0.250   0.000 2
torsion    37    15    24    36   1.175   0.000 2   0.144   0.000 3
torsion    37    15    24    37   1.175   0.000 2   0.144   0.000 3
torsion    37    15    24    51   0.250   0.000 2
torsion    45    15    24    15   0.160   0.000 3
torsion    45    15    24    36   0.250   0.000 3
torsion    45    15    24    37   0.250   0.000 3
torsion    51    15    24    36   0.250   0.000 2
torsion    51    15    24    37   0.250   0.000 2
torsion    45    15    26    27   0.160   0.000 3
torsion    45    15    26    45   0.150   0.000 3
torsion    45    15    27    15   0.160   0.000 3
torsion    45    15    27    18   0.160   0.000 3
torsion    45    15    27    26   0.160   0.000 3
torsion    45    15    27    36   0.250   0.000 1
torsion    45    15    27    45   0.150   0.000 3
torsion    45    15    27    50   0.156   0.000 3
torsion     0    15    28     0   0.000   0.000 1
torsion    15    15    28     1   2.000   0.000 1   2.000   0.000 2   0.400   0.000 3
torsion     0    15    32     0   0.000   0.000 1
torsion    37    15    32     7   1.187  43.925 1   1.829 350.884 2   0.666 175.418 3
torsion    37    15    32     8   0.563  94.706 1   2.178 357.852 2   0.678 178.486 3   0.138  85.364 4
torsion    37    15    32    11   0.705  74.756 1   1.065   6.229 2   0.443 168.650 3   0.256   3.975 4
torsion    37    15    32    14   1.025 149.858 1   1.749  16.765 2   0.582 179.347 3   0.351  16.002 4
torsion    37    15    32    20   0.688 111.318 1   2.140 360.280 2   1.206 170.640 3   0.260  94.187 4
torsion    37    15    32    21   1.545  40.592 1   1.829 356.523 2   0.574 179.005 3
torsion    37    15    32    22   1.225 146.989 1   1.635  16.477 2   0.937 185.877 3   0.310  32.159 4
torsion    37    15    32    23   0.966  68.790 1   1.074  15.636 2   0.458 171.579 3   0.309  19.092 4
torsion     0    15    33     0   0.000   0.000 1
torsion     0    15    34     0   0.156   0.000 3
torsion     0    15    36     0   0.167   0.000 3
torsion    15    15    36    46   0.250   0.000 1   0.160   0.000 3
torsion    18    15    36    46   0.250   0.000 1   0.160   0.000 3
torsion     0    15    37     0   0.383   0.000 3
torsion     5    15    37    15   0.100 180.000 2   0.383   0.000 3
torsion     6    15    37    15   0.100 180.000 2   0.383   0.000 3
torsion    15    15    37     1   0.800 180.000 1   0.383   0.000 3
torsion    15    15    37    15   0.100 180.000 2   0.383   0.000 3
torsion    24    15    37    15   0.100 180.000 2   0.383   0.000 3
torsion    32    15    37    15   0.650   0.000 2   0.383   0.000 3
torsion    37    15    37    15   1.350 180.000 1   0.850 180.000 2   0.100   0.000 3
torsion     0    15    40     0   0.333   0.000 3
torsion    50    15    40    26   0.333   0.000 3
torsion     0    15    41     0   0.250   0.000 3
torsion     0    16    30     0   2.400 180.000 2
torsion     0    17    19     0   6.525 180.000 2
torsion     0    17    29     0   1.500 180.000 2
torsion     0    18    25     0   0.156   0.000 3
torsion     1    18    25    25   0.156   0.000 3
torsion    28    18    25    25   0.156   0.000 3
torsion    34    18    25    25   0.156   0.000 3
torsion     0    18    26     0   0.156   0.000 3
torsion     1    18    26     1   1.046   0.000 1   0.303 180.000 2   0.033   0.000 3   0.107   0.000 4
torsion     1    18    26    10   0.424   0.000 1   0.459 180.000 2   0.058   0.000 3   0.154   0.000 4
torsion     1    18    26    26   0.421 180.000 1   0.393 180.000 2   0.144   0.000 3   0.145   0.000 4
torsion     1    18    26    27   0.706   0.000 1   0.620 180.000 2   0.144   0.000 3   0.190   0.000 4
torsion     1    18    26    36   0.661 180.000 1   0.218 180.000 2   0.401   0.000 3   0.129   0.000 4
torsion     1    18    26    40   0.602   0.000 1   0.394 180.000 2   0.323   0.000 3   0.278   0.000 4
torsion     1    18    26    41   0.269 180.000 1   0.337 180.000 2   0.251   0.000 3   0.075   0.000 4
torsion    28    18    26     1   0.688 180.000 1   0.297 180.000 2   0.033   0.000 3   0.059   0.000 4
torsion    28    18    26    10   2.154 180.000 1   0.647 180.000 2   0.058   0.000 3   0.089   0.000 4
torsion    28    18    26    26   0.100 180.000 1   0.184 180.000 2   0.144   0.000 3   0.078   0.000 4
torsion    28    18    26    27   0.098   0.000 1   0.259 180.000 2   0.144   0.000 3   0.073   0.000 4
torsion    28    18    26    36   0.666   0.000 1   0.246 180.000 2   0.401   0.000 3   0.160   0.000 4
torsion    28    18    26    40   0.469   0.000 1   0.021 180.000 2   0.323   0.000 3   0.064   0.000 4
torsion    28    18    26    41   0.154   0.000 1   0.486 180.000 2   0.251   0.000 3   0.033   0.000 4
torsion    34    18    26     1   0.688 180.000 1   0.297 180.000 2   0.033   0.000 3   0.059   0.000 4
torsion    34    18    26    10   2.154 180.000 1   0.647 180.000 2   0.058   0.000 3   0.089   0.000 4
torsion    34    18    26    26   0.100 180.000 1   0.184 180.000 2   0.144   0.000 3   0.078   0.000 4
torsion    34    18    26    27   0.098   0.000 1   0.259 180.000 2   0.144   0.000 3   0.073   0.000 4
torsion    34    18    26    36   0.666   0.000 1   0.246 180.000 2   0.401   0.000 3   0.160   0.000 4
torsion    34    18    26    40   0.469   0.000 1   0.021 180.000 2   0.323   0.000 3   0.064   0.000 4
torsion    34    18    26    41   0.154   0.000 1   0.486 180.000 2   0.251   0.000 3   0.033   0.000 4
torsion    50    18    26    36   0.250   0.000 1
torsion     0    18    27     0   0.156   0.000 3
torsion     1    18    27    15   0.406 180.000 1   0.289 180.000 2   0.148   0.000 3   0.112   0.000 4
torsion     1    18    27    26   0.162   0.000 1   0.735 180.000 2   0.113   0.000 3   0.115   0.000 4
torsion     1    18    27    36   0.697 180.000 1   0.119 180.000 2   0.315   0.000 3   0.156   0.000 4
torsion    28    18    27    15   0.337   0.000 1   0.216 180.000 2   0.148   0.000 3   0.001 180.000 4
torsion    28    18    27    26   0.310   0.000 1   0.144 180.000 2   0.113   0.000 3   0.097 180.000 4
torsion    28    18    27    36   0.674   0.000 1   0.006   0.000 2   0.315   0.000 3   0.095   0.000 4
torsion    34    18    27    15   0.337   0.000 1   0.216 180.000 2   0.148   0.000 3   0.001 180.000 4
torsion    34    18    27    26   0.310   0.000 1   0.144 180.000 2   0.113   0.000 3   0.097 180.000 4
torsion    34    18    27    36   0.674   0.000 1   0.006   0.000 2   0.315   0.000 3   0.095   0.000 4
torsion    50    18    27    36   0.250   0.000 1
torsion     0    18    28     0   0.000   0.000 1
torsion     1    18    28     1   0.270   0.000 2   0.420   0.000 3
torsion    15    18    28     1   2.000   0.000 1   1.800   0.000 2   0.800   0.000 3
torsion    25    18    28     1   2.000   0.000 1   1.800   0.000 2   0.800   0.000 3
torsion    26    18    28     1   2.000   0.000 1   1.800   0.000 2   0.800   0.000 3
torsion    27    18    28     1   2.000   0.000 1   1.800   0.000 2   0.800   0.000 3
torsion     0    18    34     0   0.156   0.000 3
torsion     3    19    26    45   0.000   0.000 1
torsion    17    19    26    45   0.000   0.000 1
torsion     0    20    20     0   6.650 180.000 2
torsion     0    20    32     0   1.850 180.000 2
torsion     0    21    30     0  10.000 180.000 2
torsion     0    21    32     0   1.700 180.000 2
torsion     0    22    22     0   6.650 180.000 2
torsion     0    22    32     0   1.850 180.000 2
torsion     0    23    30     0  10.000 180.000 2
torsion     0    23    32     0   1.700 180.000 2
torsion     0    24    36     0   0.167   0.000 3
torsion    15    24    36    46   0.250   0.000 1   0.160   0.000 3
torsion     0    24    37     0   0.383   0.000 3
torsion    15    24    37    42   1.775 205.919 1   0.647 139.834 2   0.153 162.497 3
torsion     0    25    25     0   0.156   0.000 3
torsion    18    25    25    25   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion    18    25    25    45   0.160   0.000 3
torsion    25    25    25    25   0.200 180.000 1   0.250 180.000 2   0.180   0.000 3
torsion    25    25    25    33   0.156   0.000 3
torsion    25    25    25    34   0.156   0.000 3
torsion    25    25    25    45   0.160   0.000 3
torsion    45    25    25    45   0.150   0.000 3
torsion     0    25    33     0   0.000   0.000 1
torsion    25    25    33     2   0.000   0.000 1
torsion     0    25    34     0   0.156   0.000 3
torsion    25    25    34    43   0.156   0.000 3
torsion     0    26    26     0   0.156   0.000 3
torsion     1    26    26    18   0.196 180.000 1   0.083   0.000 2   0.412 180.000 3   0.138   0.000 4
torsion    10    26    26    18   1.367 180.000 1   0.222 180.000 2   0.608 180.000 3   0.056 180.000 4
torsion    18    26    26    40   0.417   0.000 1   0.245   0.000 2   0.016   0.000 3   0.028   0.000 4
torsion    18    26    26    45   0.160   0.000 3
torsion    45    26    26    45   0.150   0.000 3
torsion    15    26    27    15   0.202   0.000 1   0.077 180.000 2   0.107   0.000 3   0.224   0.000 4
torsion    15    26    27    18   0.447   0.000 1   0.053   0.000 2   0.107   0.000 3   0.230   0.000 4
torsion    15    26    27    45   0.160   0.000 3
torsion    18    26    27    15   0.379   0.000 1   0.027 180.000 2   0.142   0.000 3   0.179   0.000 4
torsion    18    26    27    45   0.160   0.000 3
torsion    45    26    27    15   0.160   0.000 3
torsion    45    26    27    18   0.160   0.000 3
torsion    45    26    27    45   0.150   0.000 3
torsion    18    26    36    46   0.211   0.000 1   0.444   0.000 2   0.267   0.000 3   0.007   0.000 4
torsion    50    26    36    46   0.167   0.000 3
torsion     0    26    40     0   0.333   0.000 3
torsion    18    26    40    40   0.056   0.000 1   0.666   0.000 2   0.302   0.000 3   0.135 180.000 4
torsion    26    26    40    15   0.247 180.000 1   0.442   0.000 2   0.414   0.000 3   0.057   0.000 4
torsion     0    26    41     0   0.250   0.000 3
torsion    18    26    41    48   0.092   0.000 1   0.612   0.000 2   0.252   0.000 3   0.030   0.000 4
torsion    15    27    36    46   0.643   0.000 1   0.079 180.000 2   0.236   0.000 3   0.048   0.000 4
torsion    18    27    36    46   0.006 180.000 1   0.251   0.000 2   0.236   0.000 3   0.013   0.000 4
torsion    50    27    36    46   0.167   0.000 3
torsion     0    36    42     0   0.250   0.000 3
torsion     0    37    42     0   0.250   0.000 3
torsion     5    37    42    36   0.185  31.795 1   1.257 351.960 2   0.355 357.247 3
torsion     5    37    42    37   0.185  31.795 1   1.257 351.960 2   0.355 357.247 3
torsion     6    37    42    36   0.185  31.795 1   1.257 351.960 2   0.355 357.247 3
torsion     6    37    42    37   0.185  31.795 1   1.257 351.960 2   0.355 357.247 3
torsion     6    37    42    39   0.250   0.000 3
torsion    15    37    42    36   1.200   0.000 2   0.250   0.000 3
torsion    15    37    42    37   1.200   0.000 2   0.250   0.000 3
torsion    24    37    42    36   0.929   1.753 1   0.974 350.882 2   0.294 358.284 3
torsion    24    37    42    37   0.929   1.753 1   0.974 350.882 2   0.294 358.284 3
torsion    24    37    42    39   0.294 358.284 3
torsion    15    40    40    15   3.500   0.000 2   0.600   0.000 3
torsion    26    40    40    26   0.420   0.000 1   4.480   0.000 2   0.682   0.000 3   0.379   0.000 4

vdw      0  0.000000000  0.000000000
vdw      1  1.908000000  0.086000000
vdw      2  1.908000000  0.086000000
vdw      3  1.908000000  0.086000000
vdw      4  1.908000000  0.086000000
vdw      5  1.908000000  0.109400000
vdw      6  1.908000000  0.109400000
vdw      7  1.908000000  0.086000000
vdw      8  1.908000000  0.086000000
vdw      9  1.908000000  0.086000000
vdw     10  1.908000000  0.086000000
vdw     11  1.908000000  0.086000000
vdw     12  1.908000000  0.086000000
vdw     13  1.908000000  0.086000000
vdw     14  1.908000000  0.086000000
vdw     15  1.908000000  0.109400000
vdw     16  1.908000000  0.086000000
vdw     17  1.908000000  0.086000000
vdw     18  1.908000000  0.109400000
vdw     19  1.908000000  0.086000000
vdw     20  1.908000000  0.086000000
vdw     21  1.908000000  0.086000000
vdw     22  1.908000000  0.086000000
vdw     23  1.908000000  0.086000000
vdw     24  1.908000000  0.109400000
vdw     25  1.908000000  0.109400000
vdw     26  1.908000000  0.109400000
vdw     27  1.908000000  0.109400000
vdw     28  1.824000000  0.170000000
vdw     29  1.824000000  0.170000000
vdw     30  1.824000000  0.170000000
vdw     31  1.824000000  0.170000000
vdw     32  1.824000000  0.170000000
vdw     33  1.824000000  0.170000000
vdw     34  1.824000000  0.170000000
vdw     35  1.661200000  0.210000000
vdw     36  1.721000000  0.210400000
vdw     37  1.683700000  0.170000000
vdw     38  1.768300000  0.152000000
vdw     39  1.661200000  0.210000000
vdw     40  2.000000000  0.250000000
vdw     41  2.000000000  0.250000000
vdw     42  2.100000000  0.200000000
vdw     43  0.600000000  0.015700000
vdw     44  1.459000000  0.015000000
vdw     45  1.487000000  0.015700000
vdw     46  0.000000000  0.000000000
vdw     47  1.100000000  0.015700000
vdw     48  0.600000000  0.015700000
vdw     49  0.000000000  0.000000000
vdw     50  1.387000000  0.015700000
vdw     51  1.287000000  0.015700000
vdw     52  1.409000000  0.015000000
vdw     53  1.359000000  0.015000000
vdw     54  1.267000000  0.003120650
vdw     55  1.475000000  0.031714940
vdw     56  1.719000000  0.151313510
vdw     57  1.834000000  0.241402160
vdw     58  1.988000000  0.378534830
vdw     59  1.360000000  0.010202370
vdw     60  1.649000000  0.105928700
vdw     61  1.810000000  0.221323740
vdw     62  2.019000000  0.406646080
vdw     63  1.783000000  0.199452550
vdw     64  2.252000000  0.602930970
vdw     65  2.428000000  0.720709400
vdw     66  2.724000000  0.854181870
vdw     67  1.271000000  0.003302860


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