forcefield              AMBER-FF94

vdwtype                 LENNARD-JONES
radiusrule              ARITHMETIC
radiustype              R-MIN
radiussize              RADIUS
epsilonrule             GEOMETRIC
vdw-14-scale            2.0
chg-14-scale            1.2
electric                332.0522173
dielectric              1.0

angle      1      1      1   40.00  109.50
angle      1      1      2   63.00  111.10
angle      1      1      3   63.00  114.00
angle      1      1      5   63.00  113.10
angle      1      1     10   63.00  115.60
angle      1      1     14   80.00  109.70
angle      1      1     18   50.00  109.50
angle      1      1     19   80.00  111.20
angle      1      1     20   80.00  111.20
angle      1      1     22   50.00  109.50
angle      1      1     23   50.00  109.50
angle      1      1     26   50.00  114.70
angle      1      1     27   50.00  108.60
angle      1      1     34   50.00  109.50
angle      1      1     35   50.00  109.50
angle      1      1     36   50.00  109.50
angle      1      1     38   50.00  109.50
angle      2      1     14   63.00  110.10
angle      2      1     20   80.00  111.20
angle      2      1     34   50.00  109.50
angle      2      1     35   50.00  109.50
angle      2      1     38   50.00  109.50
angle      3      1     34   50.00  109.50
angle      4      1     34   50.00  109.50
angle      5      1     34   50.00  109.50
angle     10      1     34   50.00  109.50
angle     14      1     35   50.00  109.50
angle     18      1     23   50.00  109.50
angle     18      1     35   50.00  109.50
angle     18      1     36   50.00  109.50
angle     19      1     35   50.00  109.50
angle     20      1     35   50.00  109.50
angle     20      1     38   50.00  109.50
angle     22      1     35   50.00  109.50
angle     23      1     35   50.00  109.50
angle     23      1     36   50.00  109.50
angle     26      1     35   50.00  109.50
angle     27      1     35   50.00  109.50
angle     34      1     34   35.00  109.50
angle     35      1     35   35.00  109.50
angle     36      1     36   35.00  109.50
angle     38      1     38   35.00  109.50
angle      1      2     14   70.00  116.60
angle      1      2     24   80.00  120.40
angle      1      2     25   70.00  117.00
angle      3      2      3   63.00  120.00
angle      3      2     22   70.00  120.00
angle      4      2     15   70.00  114.10
angle      4      2     24   80.00  125.30
angle      9      2     15   70.00  111.30
angle      9      2     24   80.00  128.80
angle     14      2     24   80.00  122.90
angle     15      2     18   70.00  115.40
angle     15      2     24   80.00  120.60
angle     17      2     18   70.00  118.60
angle     17      2     24   80.00  122.50
angle     18      2     24   80.00  120.90
angle     24      2     24   80.00  126.00
angle     25      2     25   80.00  126.00
angle      1      3      3   70.00  120.00
angle      2      3      3   63.00  120.00
angle      2      3     33   35.00  120.00
angle      3      3      3   63.00  120.00
angle      3      3      9   63.00  120.00
angle      3      3     11   63.00  120.00
angle      3      3     33   35.00  120.00
angle      3      3     39   35.00  120.00
angle      4      3     17   70.00  121.50
angle      4      3     19   70.00  120.10
angle      9      3     17   70.00  117.30
angle      9      3     19   70.00  123.50
angle      9      3     33   35.00  120.00
angle      9      3     39   35.00  120.00
angle     11      3     33   35.00  120.00
angle     15      3     17   70.00  123.30
angle     15      3     19   70.00  116.00
angle     17      3     19   70.00  119.30
angle     19      3     19   70.00  120.00
angle      1      4      2   70.00  119.70
angle      1      4      4   70.00  119.70
angle      2      4      4   63.00  120.70
angle      2      4     33   35.00  119.70
angle      2      4     39   35.00  119.70
angle      3      4      4   63.00  117.00
angle      3      4     33   35.00  123.30
angle      3      4     39   35.00  123.30
angle      4      4     18   70.00  121.20
angle      4      4     33   35.00  119.70
angle      4      4     39   35.00  119.70
angle     18      4     39   35.00  119.10
angle      1      5      6   70.00  120.00
angle      1      5      7   70.00  120.00
angle      1      5     15   70.00  120.00
angle      1      5     16   70.00  120.00
angle      6      5     15   70.00  120.00
angle      7      5     15   70.00  120.00
angle      7      5     16   70.00  120.00
angle      5      6     16   70.00  120.00
angle      5      6     39   35.00  120.00
angle     16      6     39   35.00  120.00
angle      5      7     15   70.00  120.00
angle      5      7     39   35.00  120.00
angle     10      7     15   70.00  108.70
angle     10      7     39   35.00  120.00
angle     15      7     39   35.00  120.00
angle     15      8     15   70.00  120.00
angle     15      8     16   70.00  120.00
angle     15      8     40   35.00  120.00
angle     16      8     40   35.00  120.00
angle      2      9      9   63.00  119.20
angle      2      9     16   70.00  130.00
angle      3      9      9   63.00  117.30
angle      3      9     10   63.00  134.90
angle      3      9     11   63.00  116.20
angle      3      9     16   70.00  132.40
angle      9      9     16   70.00  110.40
angle      9      9     17   70.00  127.70
angle      9      9     18   70.00  106.20
angle     10      9     11   63.00  108.80
angle     17      9     18   70.00  126.20
angle      1     10      7   70.00  125.00
angle      1     10      9   70.00  128.60
angle      7     10      9   63.00  106.40
angle      3     11      9   63.00  122.70
angle      3     11     15   70.00  132.80
angle      9     11     15   70.00  104.40
angle     16     12     18   70.00  113.90
angle     16     12     40   35.00  123.05
angle     18     12     40   35.00  123.05
angle     17     13     17   70.00  129.10
angle     17     13     40   35.00  115.45
angle      1     14      1   50.00  118.00
angle      1     14      2   50.00  121.90
angle      1     14     29   30.00  118.04
angle      2     14     29   30.00  120.00
angle     29     14     29   35.00  120.00
angle      2     15      2   70.00  126.40
angle      2     15      3   70.00  125.20
angle      2     15     29   30.00  116.80
angle      3     15     29   30.00  118.00
angle      5     15      8   70.00  120.00
angle      5     15     29   30.00  120.00
angle      7     15      8   70.00  120.00
angle      7     15     11   70.00  111.60
angle      7     15     29   30.00  120.00
angle      8     15     29   30.00  120.00
angle     11     15     29   30.00  123.10
angle      5     16      8   70.00  117.00
angle      6     16      8   70.00  117.00
angle      9     16     12   70.00  103.80
angle      2     17      3   70.00  120.50
angle      3     17      9   70.00  112.20
angle      3     17     13   70.00  118.60
angle      9     17     13   70.00  111.00
angle      1     18      2   70.00  117.60
angle      1     18      4   70.00  121.20
angle      1     18      9   70.00  125.80
angle      1     18     12   70.00  128.80
angle      2     18      4   70.00  121.60
angle      2     18     29   30.00  119.20
angle      4     18     29   30.00  121.20
angle      9     18     12   70.00  105.40
angle      9     18     29   30.00  125.80
angle     12     18     29   30.00  128.80
angle      1     19      3   50.00  123.20
angle      1     19     29   35.00  118.40
angle      3     19     29   35.00  120.00
angle     29     19     29   35.00  120.00
angle      1     20      1   50.00  109.50
angle      1     20     29   50.00  109.50
angle     29     20     29   35.00  109.50
angle     30     21     30  100.00  104.52
angle      1     22     31   55.00  108.50
angle      2     22     31   35.00  113.00
angle     28     22     31   45.00  108.50
angle      1     23      1   60.00  109.50
angle      1     23     28  100.00  120.50
angle     28     23     28  100.00  120.50
angle      1     26      1   62.00   98.90
angle      1     26     26   68.00  103.70
angle      1     27     32   43.00   96.00
angle     32     27     32   35.00   92.07
angle     22     28     23   45.00  102.60
angle     22     28     25   45.00  108.23
angle     23     28     23   45.00  102.60
angle     23     28     25  100.00  108.23
angle     25     28     25  140.00  119.90
angle     21     30     30    0.00  127.74

atom      1     14  N     "Glycine N"                  7   14.0100  3
atom      2      1  CT    "Glycine CA"                 6   12.0100  4
atom      3      2  C     "Glycine C"                  6   12.0100  3
atom      4     29  H     "Glycine HN"                 1    1.0080  1
atom      5     24  O     "Glycine O"                  8   16.0000  1
atom      6     35  H1    "Glycine HA"                 1    1.0080  1
atom      7     14  N     "Alanine N"                  7   14.0100  3
atom      8      1  CT    "Alanine CA"                 6   12.0100  4
atom      9      2  C     "Alanine C"                  6   12.0100  3
atom     10     29  H     "Alanine HN"                 1    1.0080  1
atom     11     24  O     "Alanine O"                  8   16.0000  1
atom     12     35  H1    "Alanine HA"                 1    1.0080  1
atom     13      1  CT    "Alanine CB"                 6   12.0100  4
atom     14     34  HC    "Alanine HB"                 1    1.0080  1
atom     15     14  N     "Valine N"                   7   14.0100  3
atom     16      1  CT    "Valine CA"                  6   12.0100  4
atom     17      2  C     "Valine C"                   6   12.0100  3
atom     18     29  H     "Valine HN"                  1    1.0080  1
atom     19     24  O     "Valine O"                   8   16.0000  1
atom     20     35  H1    "Valine HA"                  1    1.0080  1
atom     21      1  CT    "Valine CB"                  6   12.0100  4
atom     22     34  HC    "Valine HB"                  1    1.0080  1
atom     23      1  CT    "Valine CG1"                 6   12.0100  4
atom     24     34  HC    "Valine HG1"                 1    1.0080  1
atom     25      1  CT    "Valine CG2"                 6   12.0100  4
atom     26     34  HC    "Valine HG2"                 1    1.0080  1
atom     27     14  N     "Leucine N"                  7   14.0100  3
atom     28      1  CT    "Leucine CA"                 6   12.0100  4
atom     29      2  C     "Leucine C"                  6   12.0100  3
atom     30     29  H     "Leucine HN"                 1    1.0080  1
atom     31     24  O     "Leucine O"                  8   16.0000  1
atom     32     35  H1    "Leucine HA"                 1    1.0080  1
atom     33      1  CT    "Leucine CB"                 6   12.0100  4
atom     34     34  HC    "Leucine HB"                 1    1.0080  1
atom     35      1  CT    "Leucine CG"                 6   12.0100  4
atom     36     34  HC    "Leucine HG"                 1    1.0080  1
atom     37      1  CT    "Leucine CD1"                6   12.0100  4
atom     38     34  HC    "Leucine HD1"                1    1.0080  1
atom     39      1  CT    "Leucine CD2"                6   12.0100  4
atom     40     34  HC    "Leucine HD2"                1    1.0080  1
atom     41     14  N     "Isoleucine N"               7   14.0100  3
atom     42      1  CT    "Isoleucine CA"              6   12.0100  4
atom     43      2  C     "Isoleucine C"               6   12.0100  3
atom     44     29  H     "Isoleucine HN"              1    1.0080  1
atom     45     24  O     "Isoleucine O"               8   16.0000  1
atom     46     35  H1    "Isoleucine HA"              1    1.0080  1
atom     47      1  CT    "Isoleucine CB"              6   12.0100  4
atom     48     34  HC    "Isoleucine HB"              1    1.0080  1
atom     49      1  CT    "Isoleucine CG1"             6   12.0100  4
atom     50     34  HC    "Isoleucine HG1"             1    1.0080  1
atom     51      1  CT    "Isoleucine CG2"             6   12.0100  4
atom     52     34  HC    "Isoleucine HG2"             1    1.0080  1
atom     53      1  CT    "Isoleucine CD"              6   12.0100  4
atom     54     34  HC    "Isoleucine HD"              1    1.0080  1
atom     55     14  N     "Serine N"                   7   14.0100  3
atom     56      1  CT    "Serine CA"                  6   12.0100  4
atom     57      2  C     "Serine C"                   6   12.0100  3
atom     58     29  H     "Serine HN"                  1    1.0080  1
atom     59     24  O     "Serine O"                   8   16.0000  1
atom     60     35  H1    "Serine HA"                  1    1.0080  1
atom     61      1  CT    "Serine CB"                  6   12.0100  4
atom     62     35  H1    "Serine HB"                  1    1.0080  1
atom     63     22  OH    "Serine OG"                  8   16.0000  2
atom     64     31  HO    "Serine HG"                  1    1.0080  1
atom     65     14  N     "Threonine N"                7   14.0100  3
atom     66      1  CT    "Threonine CA"               6   12.0100  4
atom     67      2  C     "Threonine C"                6   12.0100  3
atom     68     29  H     "Threonine HN"               1    1.0080  1
atom     69     24  O     "Threonine O"                8   16.0000  1
atom     70     35  H1    "Threonine HA"               1    1.0080  1
atom     71      1  CT    "Threonine CB"               6   12.0100  4
atom     72     35  H1    "Threonine HB"               1    1.0080  1
atom     73     22  OH    "Threonine OG1"              8   16.0000  2
atom     74     31  HO    "Threonine HG1"              1    1.0080  1
atom     75      1  CT    "Threonine CG2"              6   12.0100  4
atom     76     34  HC    "Threonine HG2"              1    1.0080  1
atom     77     14  N     "Cysteine (-SH) N"           7   14.0100  3
atom     78      1  CT    "Cysteine (-SH) CA"          6   12.0100  4
atom     79      2  C     "Cysteine (-SH) C"           6   12.0100  3
atom     80     29  H     "Cysteine (-SH) HN"          1    1.0080  1
atom     81     24  O     "Cysteine (-SH) O"           8   16.0000  1
atom     82     35  H1    "Cysteine (-SH) HA"          1    1.0080  1
atom     83      1  CT    "Cysteine (-SH) CB"          6   12.0100  4
atom     84     35  H1    "Cysteine (-SH) HB"          1    1.0080  1
atom     85     27  SH    "Cysteine (-SH) SG"         16   32.0600  2
atom     86     32  HS    "Cysteine (-SH) HG"          1    1.0080  1
atom     87     14  N     "Cystine (-SS-) N"           7   14.0100  3
atom     88      1  CT    "Cystine (-SS-) CA"          6   12.0100  4
atom     89      2  C     "Cystine (-SS-) C"           6   12.0100  3
atom     90     29  H     "Cystine (-SS-) HN"          1    1.0080  1
atom     91     24  O     "Cystine (-SS-) O"           8   16.0000  1
atom     92     35  H1    "Cystine (-SS-) HA"          1    1.0080  1
atom     93      1  CT    "Cystine (-SS-) CB"          6   12.0100  4
atom     94     35  H1    "Cystine (-SS-) HB"          1    1.0080  1
atom     95     26  S     "Cystine (-SS-) SG"         16   32.0600  2
atom     96     14  N     "Proline N"                  7   14.0100  3
atom     97      1  CT    "Proline CA"                 6   12.0100  4
atom     98      2  C     "Proline C"                  6   12.0100  3
atom     99     24  O     "Proline O"                  8   16.0000  1
atom    100     35  H1    "Proline HA"                 1    1.0080  1
atom    101      1  CT    "Proline CB"                 6   12.0100  4
atom    102     34  HC    "Proline HB"                 1    1.0080  1
atom    103      1  CT    "Proline CG"                 6   12.0100  4
atom    104     34  HC    "Proline HG"                 1    1.0080  1
atom    105      1  CT    "Proline CD"                 6   12.0100  4
atom    106     35  H1    "Proline HD"                 1    1.0080  1
atom    107     14  N     "Phenylalanine N"            7   14.0100  3
atom    108      1  CT    "Phenylalanine CA"           6   12.0100  4
atom    109      2  C     "Phenylalanine C"            6   12.0100  3
atom    110     29  H     "Phenylalanine HN"           1    1.0080  1
atom    111     24  O     "Phenylalanine O"            8   16.0000  1
atom    112     35  H1    "Phenylalanine HA"           1    1.0080  1
atom    113      1  CT    "Phenylalanine CB"           6   12.0100  4
atom    114     34  HC    "Phenylalanine HB"           1    1.0080  1
atom    115      3  CA    "Phenylalanine CG"           6   12.0100  3
atom    116      3  CA    "Phenylalanine CD"           6   12.0100  3
atom    117     33  HA    "Phenylalanine HD"           1    1.0080  1
atom    118      3  CA    "Phenylalanine CE"           6   12.0100  3
atom    119     33  HA    "Phenylalanine HE"           1    1.0080  1
atom    120      3  CA    "Phenylalanine CZ"           6   12.0100  3
atom    121     33  HA    "Phenylalanine HZ"           1    1.0080  1
atom    122     14  N     "Tyrosine N"                 7   14.0100  3
atom    123      1  CT    "Tyrosine CA"                6   12.0100  4
atom    124      2  C     "Tyrosine C"                 6   12.0100  3
atom    125     29  H     "Tyrosine HN"                1    1.0080  1
atom    126     24  O     "Tyrosine O"                 8   16.0000  1
atom    127     35  H1    "Tyrosine HA"                1    1.0080  1
atom    128      1  CT    "Tyrosine CB"                6   12.0100  4
atom    129     34  HC    "Tyrosine HB"                1    1.0080  1
atom    130      3  CA    "Tyrosine CG"                6   12.0100  3
atom    131      3  CA    "Tyrosine CD"                6   12.0100  3
atom    132     33  HA    "Tyrosine HD"                1    1.0080  1
atom    133      3  CA    "Tyrosine CE"                6   12.0100  3
atom    134     33  HA    "Tyrosine HE"                1    1.0080  1
atom    135      2  C     "Tyrosine CZ"                6   12.0100  3
atom    136     22  OH    "Tyrosine OH"                8   16.0000  2
atom    137     31  HO    "Tyrosine HH"                1    1.0080  1
atom    138     14  N     "Tryptophan N"               7   14.0100  3
atom    139      1  CT    "Tryptophan CA"              6   12.0100  4
atom    140      2  C     "Tryptophan C"               6   12.0100  3
atom    141     29  H     "Tryptophan HN"              1    1.0080  1
atom    142     24  O     "Tryptophan O"               8   16.0000  1
atom    143     35  H1    "Tryptophan HA"              1    1.0080  1
atom    144      1  CT    "Tryptophan CB"              6   12.0100  4
atom    145     34  HC    "Tryptophan HB"              1    1.0080  1
atom    146     10  C*    "Tryptophan CG"              6   12.0100  3
atom    147      7  CW    "Tryptophan CD1"             6   12.0100  3
atom    148     39  H4    "Tryptophan HD1"             1    1.0080  1
atom    149      9  CB    "Tryptophan CD2"             6   12.0100  3
atom    150     15  NA    "Tryptophan NE1"             7   14.0100  3
atom    151     29  H     "Tryptophan HE1"             1    1.0080  1
atom    152     11  CN    "Tryptophan CE2"             6   12.0100  3
atom    153      3  CA    "Tryptophan CE3"             6   12.0100  3
atom    154     33  HA    "Tryptophan HE3"             1    1.0080  1
atom    155      3  CA    "Tryptophan CZ2"             6   12.0100  3
atom    156     33  HA    "Tryptophan HZ2"             1    1.0080  1
atom    157      3  CA    "Tryptophan CZ3"             6   12.0100  3
atom    158     33  HA    "Tryptophan HZ3"             1    1.0080  1
atom    159      3  CA    "Tryptophan CH2"             6   12.0100  3
atom    160     33  HA    "Tryptophan HH2"             1    1.0080  1
atom    161     14  N     "Histidine (+) N"            7   14.0100  3
atom    162      1  CT    "Histidine (+) CA"           6   12.0100  4
atom    163      2  C     "Histidine (+) C"            6   12.0100  3
atom    164     29  H     "Histidine (+) HN"           1    1.0080  1
atom    165     24  O     "Histidine (+) O"            8   16.0000  1
atom    166     35  H1    "Histidine (+) HA"           1    1.0080  1
atom    167      1  CT    "Histidine (+) CB"           6   12.0100  4
atom    168     34  HC    "Histidine (+) HB"           1    1.0080  1
atom    169      5  CC    "Histidine (+) CG"           6   12.0100  3
atom    170     15  NA    "Histidine (+) ND1"          7   14.0100  3
atom    171     29  H     "Histidine (+) HD1"          1    1.0080  1
atom    172      7  CW    "Histidine (+) CD2"          6   12.0100  3
atom    173     39  H4    "Histidine (+) HD2"          1    1.0080  1
atom    174      8  CR    "Histidine (+) CE1"          6   12.0100  3
atom    175     40  H5    "Histidine (+) HE1"          1    1.0080  1
atom    176     15  NA    "Histidine (+) NE2"          7   14.0100  3
atom    177     29  H     "Histidine (+) HE2"          1    1.0080  1
atom    178     14  N     "Histidine (HD) N"           7   14.0100  3
atom    179      1  CT    "Histidine (HD) CA"          6   12.0100  4
atom    180      2  C     "Histidine (HD) C"           6   12.0100  3
atom    181     29  H     "Histidine (HD) HN"          1    1.0080  1
atom    182     24  O     "Histidine (HD) O"           8   16.0000  1
atom    183     35  H1    "Histidine (HD) HA"          1    1.0080  1
atom    184      1  CT    "Histidine (HD) CB"          6   12.0100  4
atom    185     34  HC    "Histidine (HD) HB"          1    1.0080  1
atom    186      5  CC    "Histidine (HD) CG"          6   12.0100  3
atom    187     15  NA    "Histidine (HD) ND1"         7   14.0100  3
atom    188     29  H     "Histidine (HD) HD1"         1    1.0080  1
atom    189      6  CV    "Histidine (HD) CD2"         6   12.0100  3
atom    190     39  H4    "Histidine (HD) HD2"         1    1.0080  1
atom    191      8  CR    "Histidine (HD) CE1"         6   12.0100  3
atom    192     40  H5    "Histidine (HD) HE1"         1    1.0080  1
atom    193     16  NB    "Histidine (HD) NE2"         7   14.0100  2
atom    194     14  N     "Histidine (HE) N"           7   14.0100  3
atom    195      1  CT    "Histidine (HE) CA"          6   12.0100  4
atom    196      2  C     "Histidine (HE) C"           6   12.0100  3
atom    197     29  H     "Histidine (HE) HN"          1    1.0080  1
atom    198     24  O     "Histidine (HE) O"           8   16.0000  1
atom    199     35  H1    "Histidine (HE) HA"          1    1.0080  1
atom    200      1  CT    "Histidine (HE) CB"          6   12.0100  4
atom    201     34  HC    "Histidine (HE) HB"          1    1.0080  1
atom    202      5  CC    "Histidine (HE) CG"          6   12.0100  3
atom    203     16  NB    "Histidine (HE) ND1"         7   14.0100  2
atom    204      7  CW    "Histidine (HE) CD2"         6   12.0100  3
atom    205     39  H4    "Histidine (HE) HD2"         1    1.0080  1
atom    206      8  CR    "Histidine (HE) CE1"         6   12.0100  3
atom    207     40  H5    "Histidine (HE) HE1"         1    1.0080  1
atom    208     15  NA    "Histidine (HE) NE2"         7   14.0100  3
atom    209     29  H     "Histidine (HE) HE2"         1    1.0080  1
atom    210     14  N     "Aspartic Acid N"            7   14.0100  3
atom    211      1  CT    "Aspartic Acid CA"           6   12.0100  4
atom    212      2  C     "Aspartic Acid C"            6   12.0100  3
atom    213     29  H     "Aspartic Acid HN"           1    1.0080  1
atom    214     24  O     "Aspartic Acid O"            8   16.0000  1
atom    215     35  H1    "Aspartic Acid HA"           1    1.0080  1
atom    216      1  CT    "Aspartic Acid CB"           6   12.0100  4
atom    217     34  HC    "Aspartic Acid HB"           1    1.0080  1
atom    218      2  C     "Aspartic Acid CG"           6   12.0100  3
atom    219     25  O2    "Aspartic Acid OD"           8   16.0000  1
atom    220     14  N     "Asparagine N"               7   14.0100  3
atom    221      1  CT    "Asparagine CA"              6   12.0100  4
atom    222      2  C     "Asparagine C"               6   12.0100  3
atom    223     29  H     "Asparagine HN"              1    1.0080  1
atom    224     24  O     "Asparagine O"               8   16.0000  1
atom    225     35  H1    "Asparagine HA"              1    1.0080  1
atom    226      1  CT    "Asparagine CB"              6   12.0100  4
atom    227     34  HC    "Asparagine HB"              1    1.0080  1
atom    228      2  C     "Asparagine CG"              6   12.0100  3
atom    229     24  O     "Asparagine OD1"             8   16.0000  1
atom    230     14  N     "Asparagine ND2"             7   14.0100  3
atom    231     29  H     "Asparagine HD2"             1    1.0080  1
atom    232     14  N     "Glutamic Acid N"            7   14.0100  3
atom    233      1  CT    "Glutamic Acid CA"           6   12.0100  4
atom    234      2  C     "Glutamic Acid C"            6   12.0100  3
atom    235     29  H     "Glutamic Acid HN"           1    1.0080  1
atom    236     24  O     "Glutamic Acid O"            8   16.0000  1
atom    237     35  H1    "Glutamic Acid HA"           1    1.0080  1
atom    238      1  CT    "Glutamic Acid CB"           6   12.0100  4
atom    239     34  HC    "Glutamic Acid HB"           1    1.0080  1
atom    240      1  CT    "Glutamic Acid CG"           6   12.0100  4
atom    241     34  HC    "Glutamic Acid HG"           1    1.0080  1
atom    242      2  C     "Glutamic Acid CD"           6   12.0100  3
atom    243     25  O2    "Glutamic Acid OE"           8   16.0000  1
atom    244     14  N     "Glutamine N"                7   14.0100  3
atom    245      1  CT    "Glutamine CA"               6   12.0100  4
atom    246      2  C     "Glutamine C"                6   12.0100  3
atom    247     29  H     "Glutamine HN"               1    1.0080  1
atom    248     24  O     "Glutamine O"                8   16.0000  1
atom    249     35  H1    "Glutamine HA"               1    1.0080  1
atom    250      1  CT    "Glutamine CB"               6   12.0100  4
atom    251     34  HC    "Glutamine HB"               1    1.0080  1
atom    252      1  CT    "Glutamine CG"               6   12.0100  4
atom    253     34  HC    "Glutamine HG"               1    1.0080  1
atom    254      2  C     "Glutamine CD"               6   12.0100  3
atom    255     24  O     "Glutamine OE1"              8   16.0000  1
atom    256     14  N     "Glutamine NE2"              7   14.0100  3
atom    257     29  H     "Glutamine HE2"              1    1.0080  1
atom    258     14  N     "Methionine N"               7   14.0100  3
atom    259      1  CT    "Methionine CA"              6   12.0100  4
atom    260      2  C     "Methionine C"               6   12.0100  3
atom    261     29  H     "Methionine HN"              1    1.0080  1
atom    262     24  O     "Methionine O"               8   16.0000  1
atom    263     35  H1    "Methionine HA"              1    1.0080  1
atom    264      1  CT    "Methionine CB"              6   12.0100  4
atom    265     34  HC    "Methionine HB"              1    1.0080  1
atom    266      1  CT    "Methionine CG"              6   12.0100  4
atom    267     35  H1    "Methionine HG"              1    1.0080  1
atom    268     26  S     "Methionine SD"             16   32.0600  2
atom    269      1  CT    "Methionine CE"              6   12.0100  4
atom    270     35  H1    "Methionine HE"              1    1.0080  1
atom    271     14  N     "Lysine N"                   7   14.0100  3
atom    272      1  CT    "Lysine CA"                  6   12.0100  4
atom    273      2  C     "Lysine C"                   6   12.0100  3
atom    274     29  H     "Lysine HN"                  1    1.0080  1
atom    275     24  O     "Lysine O"                   8   16.0000  1
atom    276     35  H1    "Lysine HA"                  1    1.0080  1
atom    277      1  CT    "Lysine CB"                  6   12.0100  4
atom    278     34  HC    "Lysine HB"                  1    1.0080  1
atom    279      1  CT    "Lysine CG"                  6   12.0100  4
atom    280     34  HC    "Lysine HG"                  1    1.0080  1
atom    281      1  CT    "Lysine CD"                  6   12.0100  4
atom    282     34  HC    "Lysine HD"                  1    1.0080  1
atom    283      1  CT    "Lysine CE"                  6   12.0100  4
atom    284     38  HP    "Lysine HE"                  1    1.0080  1
atom    285     20  N3    "Lysine NZ"                  7   14.0100  4
atom    286     29  H     "Lysine HZ"                  1    1.0080  1
atom    287     14  N     "Arginine N"                 7   14.0100  3
atom    288      1  CT    "Arginine CA"                6   12.0100  4
atom    289      2  C     "Arginine C"                 6   12.0100  3
atom    290     29  H     "Arginine HN"                1    1.0080  1
atom    291     24  O     "Arginine O"                 8   16.0000  1
atom    292     35  H1    "Arginine HA"                1    1.0080  1
atom    293      1  CT    "Arginine CB"                6   12.0100  4
atom    294     34  HC    "Arginine HB"                1    1.0080  1
atom    295      1  CT    "Arginine CG"                6   12.0100  4
atom    296     34  HC    "Arginine HG"                1    1.0080  1
atom    297      1  CT    "Arginine CD"                6   12.0100  4
atom    298     35  H1    "Arginine HD"                1    1.0080  1
atom    299     19  N2    "Arginine NE"                7   14.0100  3
atom    300     29  H     "Arginine HE"                1    1.0080  1
atom    301      3  CA    "Arginine CZ"                6   12.0100  3
atom    302     19  N2    "Arginine NH"                7   14.0100  3
atom    303     29  H     "Arginine HH"                1    1.0080  1
atom    304     14  N     "Ornithine N"                7   14.0100  3
atom    305      1  CT    "Ornithine CA"               6   12.0100  4
atom    306      2  C     "Ornithine C"                6   12.0100  3
atom    307     29  H     "Ornithine HN"               1    1.0080  1
atom    308     24  O     "Ornithine O"                8   16.0000  1
atom    309     35  H1    "Ornithine HA"               1    1.0080  1
atom    310      1  CT    "Ornithine CB"               6   12.0100  4
atom    311     34  HC    "Ornithine HB"               1    1.0080  1
atom    312      1  CT    "Ornithine CG"               6   12.0100  4
atom    313     34  HC    "Ornithine HG"               1    1.0080  1
atom    314      1  CT    "Ornithine CD"               6   12.0100  4
atom    315     38  HP    "Ornithine HD"               1    1.0080  1
atom    316     20  N3    "Ornithine NE"               7   14.0100  4
atom    317     29  H     "Ornithine HE"               1    1.0080  1
atom    318     14  N     "MethylAlanine N"            7   14.0100  3
atom    319      1  CT    "MethylAlanine CA"           6   12.0100  4
atom    320      2  C     "MethylAlanine C"            6   12.0100  3
atom    321     29  H     "MethylAlanine HN"           1    1.0080  1
atom    322     24  O     "MethylAlanine O"            8   16.0000  1
atom    323      1  CT    "MethylAlanine CB"           6   12.0100  4
atom    324     34  HC    "MethylAlanine HB"           1    1.0080  1
atom    325     14  N     "Pyroglutamate N"            7   14.0100  3
atom    326      1  CT    "Pyroglutamate CA"           6   12.0100  4
atom    327      2  C     "Pyroglutamate C"            6   12.0100  3
atom    328     29  H     "Pyroglutamate HN"           1    1.0080  1
atom    329     24  O     "Pyroglutamate O"            8   16.0000  1
atom    330     35  H1    "Pyroglutamate HA"           1    1.0080  1
atom    331      1  CT    "Pyroglutamate CB"           6   12.0100  4
atom    332     34  HC    "Pyroglutamate HB"           1    1.0080  1
atom    333      1  CT    "Pyroglutamate CG"           6   12.0100  4
atom    334     34  HC    "Pyroglutamate HG"           1    1.0080  1
atom    335      2  C     "Pyroglutamate CD"           6   12.0100  3
atom    336     24  O     "Pyroglutamate OE"           8   16.0000  1
atom    337      2  C     "Formyl C"                   6   12.0100  3
atom    338      0  H     "Formyl H"                   1    1.0080  1
atom    339     24  O     "Formyl O"                   8   16.0000  1
atom    340      1  CT    "Acetyl CA"                  6   12.0100  4
atom    341     34  HC    "Acetyl HA"                  1    1.0080  1
atom    342      2  C     "Acetyl C"                   6   12.0100  3
atom    343     24  O     "Acetyl O"                   8   16.0000  1
atom    344     14  N     "C-Term Amide N"             7   14.0100  3
atom    345     29  H     "C-Term Amide HN"            1    1.0080  1
atom    346     14  N     "N-MeAmide N"                7   14.0100  3
atom    347     29  H     "N-MeAmide HN"               1    1.0080  1
atom    348      1  CT    "N-MeAmide C"                6   12.0100  4
atom    349     35  H1    "N-MeAmide HC"               1    1.0080  1
atom    350     20  N3    "N-Term GLY N"               7   14.0100  4
atom    351      1  CT    "N-Term GLY CA"              6   12.0100  4
atom    352      2  C     "N-Term GLY C"               6   12.0100  3
atom    353     29  H     "N-Term GLY HN"              1    1.0080  1
atom    354     24  O     "N-Term GLY O"               8   16.0000  1
atom    355     35  H1    "N-Term GLY HA"              1    1.0080  1
atom    356     20  N3    "N-Term ALA N"               7   14.0100  4
atom    357      1  CT    "N-Term ALA CA"              6   12.0100  4
atom    358      2  C     "N-Term ALA C"               6   12.0100  3
atom    359     29  H     "N-Term ALA HN"              1    1.0080  1
atom    360     24  O     "N-Term ALA O"               8   16.0000  1
atom    361     35  H1    "N-Term ALA HA"              1    1.0080  1
atom    362     20  N3    "N-Term VAL N"               7   14.0100  4
atom    363      1  CT    "N-Term VAL CA"              6   12.0100  4
atom    364      2  C     "N-Term VAL C"               6   12.0100  3
atom    365     29  H     "N-Term VAL HN"              1    1.0080  1
atom    366     24  O     "N-Term VAL O"               8   16.0000  1
atom    367     35  H1    "N-Term VAL HA"              1    1.0080  1
atom    368     20  N3    "N-Term LEU N"               7   14.0100  4
atom    369      1  CT    "N-Term LEU CA"              6   12.0100  4
atom    370      2  C     "N-Term LEU C"               6   12.0100  3
atom    371     29  H     "N-Term LEU HN"              1    1.0080  1
atom    372     24  O     "N-Term LEU O"               8   16.0000  1
atom    373     35  H1    "N-Term LEU HA"              1    1.0080  1
atom    374     20  N3    "N-Term ILE N"               7   14.0100  4
atom    375      1  CT    "N-Term ILE CA"              6   12.0100  4
atom    376      2  C     "N-Term ILE C"               6   12.0100  3
atom    377     29  H     "N-Term ILE HN"              1    1.0080  1
atom    378     24  O     "N-Term ILE O"               8   16.0000  1
atom    379     35  H1    "N-Term ILE HA"              1    1.0080  1
atom    380     20  N3    "N-Term SER N"               7   14.0100  4
atom    381      1  CT    "N-Term SER CA"              6   12.0100  4
atom    382      2  C     "N-Term SER C"               6   12.0100  3
atom    383     29  H     "N-Term SER HN"              1    1.0080  1
atom    384     24  O     "N-Term SER O"               8   16.0000  1
atom    385     35  H1    "N-Term SER HA"              1    1.0080  1
atom    386     20  N3    "N-Term THR N"               7   14.0100  4
atom    387      1  CT    "N-Term THR CA"              6   12.0100  4
atom    388      2  C     "N-Term THR C"               6   12.0100  3
atom    389     29  H     "N-Term THR HN"              1    1.0080  1
atom    390     24  O     "N-Term THR O"               8   16.0000  1
atom    391     35  H1    "N-Term THR HA"              1    1.0080  1
atom    392     20  N3    "N-Term CYS (-SH) N"         7   14.0100  4
atom    393      1  CT    "N-Term CYS (-SH) CA"        6   12.0100  4
atom    394      2  C     "N-Term CYS (-SH) C"         6   12.0100  3
atom    395     29  H     "N-Term CYS (-SH) HN"        1    1.0080  1
atom    396     24  O     "N-Term CYS (-SH) O"         8   16.0000  1
atom    397     35  H1    "N-Term CYS (-SH) HA"        1    1.0080  1
atom    398     20  N3    "N-Term CYS (-SS-) N"        7   14.0100  4
atom    399      1  CT    "N-Term CYS (-SS-) CA"       6   12.0100  4
atom    400      2  C     "N-Term CYS (-SS-) C"        6   12.0100  3
atom    401     29  H     "N-Term CYS (-SS-) HN"       1    1.0080  1
atom    402     24  O     "N-Term CYS (-SS-) O"        8   16.0000  1
atom    403     35  H1    "N-Term CYS (-SS-) HA"       1    1.0080  1
atom    404     20  N3    "N-Term PRO N"               7   14.0100  4
atom    405      1  CT    "N-Term PRO CA"              6   12.0100  4
atom    406      2  C     "N-Term PRO C"               6   12.0100  3
atom    407     29  H     "N-Term PRO HN"              1    1.0080  1
atom    408     24  O     "N-Term PRO O"               8   16.0000  1
atom    409     35  H1    "N-Term PRO HA"              1    1.0080  1
atom    410      1  CT    "N-Term PRO CD"              6   12.0100  4
atom    411     38  HP    "N-Term PRO HD"              1    1.0080  1
atom    412     20  N3    "N-Term PHE N"               7   14.0100  4
atom    413      1  CT    "N-Term PHE CA"              6   12.0100  4
atom    414      2  C     "N-Term PHE C"               6   12.0100  3
atom    415     29  H     "N-Term PHE HN"              1    1.0080  1
atom    416     24  O     "N-Term PHE O"               8   16.0000  1
atom    417     35  H1    "N-Term PHE HA"              1    1.0080  1
atom    418     20  N3    "N-Term TYR N"               7   14.0100  4
atom    419      1  CT    "N-Term TYR CA"              6   12.0100  4
atom    420      2  C     "N-Term TYR C"               6   12.0100  3
atom    421     29  H     "N-Term TYR HN"              1    1.0080  1
atom    422     24  O     "N-Term TYR O"               8   16.0000  1
atom    423     35  H1    "N-Term TYR HA"              1    1.0080  1
atom    424     20  N3    "N-Term TRP N"               7   14.0100  4
atom    425      1  CT    "N-Term TRP CA"              6   12.0100  4
atom    426      2  C     "N-Term TRP C"               6   12.0100  3
atom    427     29  H     "N-Term TRP HN"              1    1.0080  1
atom    428     24  O     "N-Term TRP O"               8   16.0000  1
atom    429     35  H1    "N-Term TRP HA"              1    1.0080  1
atom    430     20  N3    "N-Term HIS (+) N"           7   14.0100  4
atom    431      1  CT    "N-Term HIS (+) CA"          6   12.0100  4
atom    432      2  C     "N-Term HIS (+) C"           6   12.0100  3
atom    433     29  H     "N-Term HIS (+) HN"          1    1.0080  1
atom    434     24  O     "N-Term HIS (+) O"           8   16.0000  1
atom    435     35  H1    "N-Term HIS (+) HA"          1    1.0080  1
atom    436     20  N3    "N-Term HIS (HD) N"          7   14.0100  4
atom    437      1  CT    "N-Term HIS (HD) CA"         6   12.0100  4
atom    438      2  C     "N-Term HIS (HD) C"          6   12.0100  3
atom    439     29  H     "N-Term HIS (HD) HN"         1    1.0080  1
atom    440     24  O     "N-Term HIS (HD) O"          8   16.0000  1
atom    441     35  H1    "N-Term HIS (HD) HA"         1    1.0080  1
atom    442     20  N3    "N-Term HIS (HE) N"          7   14.0100  4
atom    443      1  CT    "N-Term HIS (HE) CA"         6   12.0100  4
atom    444      2  C     "N-Term HIS (HE) C"          6   12.0100  3
atom    445     29  H     "N-Term HIS (HE) HN"         1    1.0080  1
atom    446     24  O     "N-Term HIS (HE) O"          8   16.0000  1
atom    447     35  H1    "N-Term HIS (HE) HA"         1    1.0080  1
atom    448     20  N3    "N-Term ASP N"               7   14.0100  4
atom    449      1  CT    "N-Term ASP CA"              6   12.0100  4
atom    450      2  C     "N-Term ASP C"               6   12.0100  3
atom    451     29  H     "N-Term ASP HN"              1    1.0080  1
atom    452     24  O     "N-Term ASP O"               8   16.0000  1
atom    453     35  H1    "N-Term ASP HA"              1    1.0080  1
atom    454     20  N3    "N-Term ASN N"               7   14.0100  4
atom    455      1  CT    "N-Term ASN CA"              6   12.0100  4
atom    456      2  C     "N-Term ASN C"               6   12.0100  3
atom    457     29  H     "N-Term ASN HN"              1    1.0080  1
atom    458     24  O     "N-Term ASN O"               8   16.0000  1
atom    459     35  H1    "N-Term ASN HA"              1    1.0080  1
atom    460     20  N3    "N-Term GLU N"               7   14.0100  4
atom    461      1  CT    "N-Term GLU CA"              6   12.0100  4
atom    462      2  C     "N-Term GLU C"               6   12.0100  3
atom    463     29  H     "N-Term GLU HN"              1    1.0080  1
atom    464     24  O     "N-Term GLU O"               8   16.0000  1
atom    465     35  H1    "N-Term GLU HA"              1    1.0080  1
atom    466     20  N3    "N-Term GLN N"               7   14.0100  4
atom    467      1  CT    "N-Term GLN CA"              6   12.0100  4
atom    468      2  C     "N-Term GLN C"               6   12.0100  3
atom    469     29  H     "N-Term GLN HN"              1    1.0080  1
atom    470     24  O     "N-Term GLN O"               8   16.0000  1
atom    471     35  H1    "N-Term GLN HA"              1    1.0080  1
atom    472     20  N3    "N-Term MET N"               7   14.0100  4
atom    473      1  CT    "N-Term MET CA"              6   12.0100  4
atom    474      2  C     "N-Term MET C"               6   12.0100  3
atom    475     29  H     "N-Term MET HN"              1    1.0080  1
atom    476     24  O     "N-Term MET O"               8   16.0000  1
atom    477     35  H1    "N-Term MET HA"              1    1.0080  1
atom    478     20  N3    "N-Term LYS N"               7   14.0100  4
atom    479      1  CT    "N-Term LYS CA"              6   12.0100  4
atom    480      2  C     "N-Term LYS C"               6   12.0100  3
atom    481     29  H     "N-Term LYS HN"              1    1.0080  1
atom    482     24  O     "N-Term LYS O"               8   16.0000  1
atom    483     35  H1    "N-Term LYS HA"              1    1.0080  1
atom    484     20  N3    "N-Term ARG N"               7   14.0100  4
atom    485      1  CT    "N-Term ARG CA"              6   12.0100  4
atom    486      2  C     "N-Term ARG C"               6   12.0100  3
atom    487     29  H     "N-Term ARG HN"              1    1.0080  1
atom    488     24  O     "N-Term ARG O"               8   16.0000  1
atom    489     35  H1    "N-Term ARG HA"              1    1.0080  1
atom    490     20  N3    "N-Term ORN N"               7   14.0100  4
atom    491      1  CT    "N-Term ORN CA"              6   12.0100  4
atom    492      2  C     "N-Term ORN C"               6   12.0100  3
atom    493     29  H     "N-Term ORN HN"              1    1.0080  1
atom    494     24  O     "N-Term ORN O"               8   16.0000  1
atom    495     35  H1    "N-Term ORN HA"              1    1.0080  1
atom    496     20  N3    "N-Term AIB N"               7   14.0100  4
atom    497      1  CT    "N-Term AIB CA"              6   12.0100  4
atom    498      2  C     "N-Term AIB C"               6   12.0100  3
atom    499     29  H     "N-Term AIB HN"              1    1.0080  1
atom    500     24  O     "N-Term AIB O"               8   16.0000  1
atom    501     14  N     "C-Term GLY N"               7   14.0100  3
atom    502      1  CT    "C-Term GLY CA"              6   12.0100  4
atom    503      2  C     "C-Term GLY C"               6   12.0100  3
atom    504     29  H     "C-Term GLY HN"              1    1.0080  1
atom    505     25  O2    "C-Term GLY OXT"             8   16.0000  1
atom    506     35  H1    "C-Term GLY HA"              1    1.0080  1
atom    507     14  N     "C-Term ALA N"               7   14.0100  3
atom    508      1  CT    "C-Term ALA CA"              6   12.0100  4
atom    509      2  C     "C-Term ALA C"               6   12.0100  3
atom    510     29  H     "C-Term ALA HN"              1    1.0080  1
atom    511     25  O2    "C-Term ALA OXT"             8   16.0000  1
atom    512     35  H1    "C-Term ALA HA"              1    1.0080  1
atom    513     14  N     "C-Term VAL N"               7   14.0100  3
atom    514      1  CT    "C-Term VAL CA"              6   12.0100  4
atom    515      2  C     "C-Term VAL C"               6   12.0100  3
atom    516     29  H     "C-Term VAL HN"              1    1.0080  1
atom    517     25  O2    "C-Term VAL OXT"             8   16.0000  1
atom    518     35  H1    "C-Term VAL HA"              1    1.0080  1
atom    519     14  N     "C-Term LEU N"               7   14.0100  3
atom    520      1  CT    "C-Term LEU CA"              6   12.0100  4
atom    521      2  C     "C-Term LEU C"               6   12.0100  3
atom    522     29  H     "C-Term LEU HN"              1    1.0080  1
atom    523     25  O2    "C-Term LEU OXT"             8   16.0000  1
atom    524     35  H1    "C-Term LEU HA"              1    1.0080  1
atom    525     14  N     "C-Term ILE N"               7   14.0100  3
atom    526      1  CT    "C-Term ILE CA"              6   12.0100  4
atom    527      2  C     "C-Term ILE C"               6   12.0100  3
atom    528     29  H     "C-Term ILE HN"              1    1.0080  1
atom    529     25  O2    "C-Term ILE OXT"             8   16.0000  1
atom    530     35  H1    "C-Term ILE HA"              1    1.0080  1
atom    531     14  N     "C-Term SER N"               7   14.0100  3
atom    532      1  CT    "C-Term SER CA"              6   12.0100  4
atom    533      2  C     "C-Term SER C"               6   12.0100  3
atom    534     29  H     "C-Term SER HN"              1    1.0080  1
atom    535     25  O2    "C-Term SER OXT"             8   16.0000  1
atom    536     35  H1    "C-Term SER HA"              1    1.0080  1
atom    537     14  N     "C-Term THR N"               7   14.0100  3
atom    538      1  CT    "C-Term THR CA"              6   12.0100  4
atom    539      2  C     "C-Term THR C"               6   12.0100  3
atom    540     29  H     "C-Term THR HN"              1    1.0080  1
atom    541     25  O2    "C-Term THR OXT"             8   16.0000  1
atom    542     35  H1    "C-Term THR HA"              1    1.0080  1
atom    543     14  N     "C-Term CYS (-SH) N"         7   14.0100  3
atom    544      1  CT    "C-Term CYS (-SH) CA"        6   12.0100  4
atom    545      2  C     "C-Term CYS (-SH) C"         6   12.0100  3
atom    546     29  H     "C-Term CYS (-SH) HN"        1    1.0080  1
atom    547     25  O2    "C-Term CYS (-SH) OXT"       8   16.0000  1
atom    548     35  H1    "C-Term CYS (-SH) HA"        1    1.0080  1
atom    549     14  N     "C-Term CYS (-SS-) N"        7   14.0100  3
atom    550      1  CT    "C-Term CYS (-SS-) CA"       6   12.0100  4
atom    551      2  C     "C-Term CYS (-SS-) C"        6   12.0100  3
atom    552     29  H     "C-Term CYS (-SS-) HN"       1    1.0080  1
atom    553     25  O2    "C-Term CYS (-SS-) OXT"      8   16.0000  1
atom    554     35  H1    "C-Term CYS (-SS-) HA"       1    1.0080  1
atom    555     14  N     "C-Term PRO N"               7   14.0100  3
atom    556      1  CT    "C-Term PRO CA"              6   12.0100  4
atom    557      2  C     "C-Term PRO C"               6   12.0100  3
atom    558     25  O2    "C-Term PRO OXT"             8   16.0000  1
atom    559     35  H1    "C-Term PRO HA"              1    1.0080  1
atom    560     14  N     "C-Term PHE N"               7   14.0100  3
atom    561      1  CT    "C-Term PHE CA"              6   12.0100  4
atom    562      2  C     "C-Term PHE C"               6   12.0100  3
atom    563     29  H     "C-Term PHE HN"              1    1.0080  1
atom    564     25  O2    "C-Term PHE OXT"             8   16.0000  1
atom    565     35  H1    "C-Term PHE HA"              1    1.0080  1
atom    566     14  N     "C-Term TYR N"               7   14.0100  3
atom    567      1  CT    "C-Term TYR CA"              6   12.0100  4
atom    568      2  C     "C-Term TYR C"               6   12.0100  3
atom    569     29  H     "C-Term TYR HN"              1    1.0080  1
atom    570     25  O2    "C-Term TYR OXT"             8   16.0000  1
atom    571     35  H1    "C-Term TYR HA"              1    1.0080  1
atom    572     14  N     "C-Term TRP N"               7   14.0100  3
atom    573      1  CT    "C-Term TRP CA"              6   12.0100  4
atom    574      2  C     "C-Term TRP C"               6   12.0100  3
atom    575     29  H     "C-Term TRP HN"              1    1.0080  1
atom    576     25  O2    "C-Term TRP OXT"             8   16.0000  1
atom    577     35  H1    "C-Term TRP HA"              1    1.0080  1
atom    578     14  N     "C-Term HIS (+) N"           7   14.0100  3
atom    579      1  CT    "C-Term HIS (+) CA"          6   12.0100  4
atom    580      2  C     "C-Term HIS (+) C"           6   12.0100  3
atom    581     29  H     "C-Term HIS (+) HN"          1    1.0080  1
atom    582     25  O2    "C-Term HIS (+) OXT"         8   16.0000  1
atom    583     35  H1    "C-Term HIS (+) HA"          1    1.0080  1
atom    584     14  N     "C-Term HIS (HD) N"          7   14.0100  3
atom    585      1  CT    "C-Term HIS (HD) CA"         6   12.0100  4
atom    586      2  C     "C-Term HIS (HD) C"          6   12.0100  3
atom    587     29  H     "C-Term HIS (HD) HN"         1    1.0080  1
atom    588     25  O2    "C-Term HIS (HD) OXT"        8   16.0000  1
atom    589     35  H1    "C-Term HIS (HD) HA"         1    1.0080  1
atom    590     14  N     "C-Term HIS (HE) N"          7   14.0100  3
atom    591      1  CT    "C-Term HIS (HE) CA"         6   12.0100  4
atom    592      2  C     "C-Term HIS (HE) C"          6   12.0100  3
atom    593     29  H     "C-Term HIS (HE) HN"         1    1.0080  1
atom    594     25  O2    "C-Term HIS (HE) OXT"        8   16.0000  1
atom    595     35  H1    "C-Term HIS (HE) HA"         1    1.0080  1
atom    596     14  N     "C-Term ASP N"               7   14.0100  3
atom    597      1  CT    "C-Term ASP CA"              6   12.0100  4
atom    598      2  C     "C-Term ASP C"               6   12.0100  3
atom    599     29  H     "C-Term ASP HN"              1    1.0080  1
atom    600     25  O2    "C-Term ASP OXT"             8   16.0000  1
atom    601     35  H1    "C-Term ASP HA"              1    1.0080  1
atom    602     14  N     "C-Term ASN N"               7   14.0100  3
atom    603      1  CT    "C-Term ASN CA"              6   12.0100  4
atom    604      2  C     "C-Term ASN C"               6   12.0100  3
atom    605     29  H     "C-Term ASN HN"              1    1.0080  1
atom    606     25  O2    "C-Term ASN OXT"             8   16.0000  1
atom    607     35  H1    "C-Term ASN HA"              1    1.0080  1
atom    608     14  N     "C-Term GLU N"               7   14.0100  3
atom    609      1  CT    "C-Term GLU CA"              6   12.0100  4
atom    610      2  C     "C-Term GLU C"               6   12.0100  3
atom    611     29  H     "C-Term GLU HN"              1    1.0080  1
atom    612     25  O2    "C-Term GLU OXT"             8   16.0000  1
atom    613     35  H1    "C-Term GLU HA"              1    1.0080  1
atom    614     14  N     "C-Term GLN N"               7   14.0100  3
atom    615      1  CT    "C-Term GLN CA"              6   12.0100  4
atom    616      2  C     "C-Term GLN C"               6   12.0100  3
atom    617     29  H     "C-Term GLN HN"              1    1.0080  1
atom    618     25  O2    "C-Term GLN OXT"             8   16.0000  1
atom    619     35  H1    "C-Term GLN HA"              1    1.0080  1
atom    620     14  N     "C-Term MET N"               7   14.0100  3
atom    621      1  CT    "C-Term MET CA"              6   12.0100  4
atom    622      2  C     "C-Term MET C"               6   12.0100  3
atom    623     29  H     "C-Term MET HN"              1    1.0080  1
atom    624     25  O2    "C-Term MET OXT"             8   16.0000  1
atom    625     35  H1    "C-Term MET HA"              1    1.0080  1
atom    626     14  N     "C-Term LYS N"               7   14.0100  3
atom    627      1  CT    "C-Term LYS CA"              6   12.0100  4
atom    628      2  C     "C-Term LYS C"               6   12.0100  3
atom    629     29  H     "C-Term LYS HN"              1    1.0080  1
atom    630     25  O2    "C-Term LYS OXT"             8   16.0000  1
atom    631     35  H1    "C-Term LYS HA"              1    1.0080  1
atom    632     14  N     "C-Term ARG N"               7   14.0100  3
atom    633      1  CT    "C-Term ARG CA"              6   12.0100  4
atom    634      2  C     "C-Term ARG C"               6   12.0100  3
atom    635     29  H     "C-Term ARG HN"              1    1.0080  1
atom    636     25  O2    "C-Term ARG OXT"             8   16.0000  1
atom    637     35  H1    "C-Term ARG HA"              1    1.0080  1
atom    638     14  N     "C-Term ORN N"               7   14.0100  3
atom    639      1  CT    "C-Term ORN CA"              6   12.0100  4
atom    640      2  C     "C-Term ORN C"               6   12.0100  3
atom    641     29  H     "C-Term ORN HN"              1    1.0080  1
atom    642     25  O2    "C-Term ORN OXT"             8   16.0000  1
atom    643     35  H1    "C-Term ORN HA"              1    1.0080  1
atom    644     14  N     "C-Term AIB N"               7   14.0100  3
atom    645      1  CT    "C-Term AIB CA"              6   12.0100  4
atom    646      2  C     "C-Term AIB C"               6   12.0100  3
atom    647     29  H     "C-Term AIB HN"              1    1.0080  1
atom    648     25  O2    "C-Term AIB OXT"             8   16.0000  1
atom   1001     23  OS    "R-Adenosine O5"            8   16.0000  2
atom   1002      1  CT    "R-Adenosine C5"            6   12.0100  4
atom   1003     35  H1    "R-Adenosine H51"           1    1.0080  1
atom   1004     35  H1    "R-Adenosine H52"           1    1.0080  1
atom   1005      1  CT    "R-Adenosine C4"            6   12.0100  4
atom   1006     35  H1    "R-Adenosine H4"            1    1.0080  1
atom   1007     23  OS    "R-Adenosine O4"            8   16.0000  2
atom   1008      1  CT    "R-Adenosine C1"            6   12.0100  4
atom   1009     36  H2    "R-Adenosine H1"            1    1.0080  1
atom   1010      1  CT    "R-Adenosine C3"            6   12.0100  4
atom   1011     35  H1    "R-Adenosine H3"            1    1.0080  1
atom   1012      1  CT    "R-Adenosine C2"            6   12.0100  4
atom   1013     35  H1    "R-Adenosine H21"           1    1.0080  1
atom   1014     22  OH    "R-Adenosine O2"            8   16.0000  2
atom   1015     31  HO    "R-Adenosine HO2"           1    1.0080  1
atom   1016     23  OS    "R-Adenosine O3"            8   16.0000  2
atom   1017     18  N*    "R-Adenosine N9"             7   14.0100  3
atom   1018      9  CB    "R-Adenosine C4"             6   12.0100  3
atom   1019      9  CB    "R-Adenosine C5"             6   12.0100  3
atom   1020     16  NB    "R-Adenosine N7"             7   14.0100  2
atom   1021     12  CK    "R-Adenosine C8"             6   12.0100  3
atom   1022     17  NC    "R-Adenosine N3"             7   14.0100  2
atom   1023     13  CQ    "R-Adenosine C2"             6   12.0100  3
atom   1024     17  NC    "R-Adenosine N1"             7   14.0100  2
atom   1025      3  CA    "R-Adenosine C6"             6   12.0100  3
atom   1026     40  H5    "R-Adenosine H2"             1    1.0080  1
atom   1027     19  N2    "R-Adenosine N6"             7   14.0100  3
atom   1028     29  H     "R-Adenosine H61"            1    1.0080  1
atom   1029     29  H     "R-Adenosine H62"            1    1.0080  1
atom   1030     40  H5    "R-Adenosine H8"             1    1.0080  1
atom   1031     23  OS    "R-Guanosine O5"            8   16.0000  2
atom   1032      1  CT    "R-Guanosine C5"            6   12.0100  4
atom   1033     35  H1    "R-Guanosine H51"           1    1.0080  1
atom   1034     35  H1    "R-Guanosine H52"           1    1.0080  1
atom   1035      1  CT    "R-Guanosine C4"            6   12.0100  4
atom   1036     35  H1    "R-Guanosine H4"            1    1.0080  1
atom   1037     23  OS    "R-Guanosine O4"            8   16.0000  2
atom   1038      1  CT    "R-Guanosine C1"            6   12.0100  4
atom   1039     36  H2    "R-Guanosine H1"            1    1.0080  1
atom   1040      1  CT    "R-Guanosine C3"            6   12.0100  4
atom   1041     35  H1    "R-Guanosine H3"            1    1.0080  1
atom   1042      1  CT    "R-Guanosine C2"            6   12.0100  4
atom   1043     35  H1    "R-Guanosine H21"           1    1.0080  1
atom   1044     22  OH    "R-Guanosine O2"            8   16.0000  2
atom   1045     31  HO    "R-Guanosine HO2"           1    1.0080  1
atom   1046     23  OS    "R-Guanosine O3"            8   16.0000  2
atom   1047     18  N*    "R-Guanosine N9"             7   14.0100  3
atom   1048      9  CB    "R-Guanosine C4"             6   12.0100  3
atom   1049      9  CB    "R-Guanosine C5"             6   12.0100  3
atom   1050     16  NB    "R-Guanosine N7"             7   14.0100  2
atom   1051     12  CK    "R-Guanosine C8"             6   12.0100  3
atom   1052     17  NC    "R-Guanosine N3"             7   14.0100  2
atom   1053      3  CA    "R-Guanosine C2"             6   12.0100  3
atom   1054     15  NA    "R-Guanosine N1"             7   14.0100  3
atom   1055      2  C     "R-Guanosine C6"             6   12.0100  3
atom   1056     29  H     "R-Guanosine H1"             1    1.0080  1
atom   1057     19  N2    "R-Guanosine N2"             7   14.0100  3
atom   1058     29  H     "R-Guanosine H21"            1    1.0080  1
atom   1059     29  H     "R-Guanosine H22"            1    1.0080  1
atom   1060     24  O     "R-Guanosine O6"             8   16.0000  1
atom   1061     40  H5    "R-Guanosine H8"             1    1.0080  1
atom   1062     23  OS    "R-Cytosine O5"             8   16.0000  2
atom   1063      1  CT    "R-Cytosine C5"             6   12.0100  4
atom   1064     35  H1    "R-Cytosine H51"            1    1.0080  1
atom   1065     35  H1    "R-Cytosine H52"            1    1.0080  1
atom   1066      1  CT    "R-Cytosine C4"             6   12.0100  4
atom   1067     35  H1    "R-Cytosine H4"             1    1.0080  1
atom   1068     23  OS    "R-Cytosine O4"             8   16.0000  2
atom   1069      1  CT    "R-Cytosine C1"             6   12.0100  4
atom   1070     36  H2    "R-Cytosine H1"             1    1.0080  1
atom   1071      1  CT    "R-Cytosine C3"             6   12.0100  4
atom   1072     35  H1    "R-Cytosine H3"             1    1.0080  1
atom   1073      1  CT    "R-Cytosine C2"             6   12.0100  4
atom   1074     35  H1    "R-Cytosine H21"            1    1.0080  1
atom   1075     22  OH    "R-Cytosine O2"             8   16.0000  2
atom   1076     31  HO    "R-Cytosine HO2"            1    1.0080  1
atom   1077     23  OS    "R-Cytosine O3"             8   16.0000  2
atom   1078     18  N*    "R-Cytosine N1"              7   14.0100  3
atom   1079      2  C     "R-Cytosine C2"              6   12.0100  3
atom   1080     17  NC    "R-Cytosine N3"              7   14.0100  2
atom   1081      3  CA    "R-Cytosine C4"              6   12.0100  3
atom   1082      4  CM    "R-Cytosine C5"              6   12.0100  3
atom   1083      4  CM    "R-Cytosine C6"              6   12.0100  3
atom   1084     24  O     "R-Cytosine O2"              8   16.0000  1
atom   1085     19  N2    "R-Cytosine N4"              7   14.0100  3
atom   1086     29  H     "R-Cytosine H41"             1    1.0080  1
atom   1087     29  H     "R-Cytosine H42"             1    1.0080  1
atom   1088     33  HA    "R-Cytosine H5"              1    1.0080  1
atom   1089     39  H4    "R-Cytosine H6"              1    1.0080  1
atom   1090     23  OS    "R-Uracil O5"               8   16.0000  2
atom   1091      1  CT    "R-Uracil C5"               6   12.0100  4
atom   1092     35  H1    "R-Uracil H51"              1    1.0080  1
atom   1093     35  H1    "R-Uracil H52"              1    1.0080  1
atom   1094      1  CT    "R-Uracil C4"               6   12.0100  4
atom   1095     35  H1    "R-Uracil H4"               1    1.0080  1
atom   1096     23  OS    "R-Uracil O4"               8   16.0000  2
atom   1097      1  CT    "R-Uracil C1"               6   12.0100  4
atom   1098     36  H2    "R-Uracil H1"               1    1.0080  1
atom   1099      1  CT    "R-Uracil C3"               6   12.0100  4
atom   1100     35  H1    "R-Uracil H3"               1    1.0080  1
atom   1101      1  CT    "R-Uracil C2"               6   12.0100  4
atom   1102     35  H1    "R-Uracil H21"              1    1.0080  1
atom   1103     22  OH    "R-Uracil O2"               8   16.0000  2
atom   1104     31  HO    "R-Uracil HO2"              1    1.0080  1
atom   1105     23  OS    "R-Uracil O3"               8   16.0000  2
atom   1106     18  N*    "R-Uracil N1"                7   14.0100  3
atom   1107      2  C     "R-Uracil C2"                6   12.0100  3
atom   1108     15  NA    "R-Uracil N3"                7   14.0100  3
atom   1109      2  C     "R-Uracil C4"                6   12.0100  3
atom   1110      4  CM    "R-Uracil C5"                6   12.0100  3
atom   1111      4  CM    "R-Uracil C6"                6   12.0100  3
atom   1112     24  O     "R-Uracil O2"                8   16.0000  1
atom   1113     29  H     "R-Uracil H3"                1    1.0080  1
atom   1114     24  O     "R-Uracil O4"                8   16.0000  1
atom   1115     33  HA    "R-Uracil H5"                1    1.0080  1
atom   1116     39  H4    "R-Uracil H6"                1    1.0080  1
atom   1117     23  OS    "D-Adenosine O5"            8   16.0000  2
atom   1118      1  CT    "D-Adenosine C5"            6   12.0100  4
atom   1119     35  H1    "D-Adenosine H51"           1    1.0080  1
atom   1120     35  H1    "D-Adenosine H52"           1    1.0080  1
atom   1121      1  CT    "D-Adenosine C4"            6   12.0100  4
atom   1122     35  H1    "D-Adenosine H4"            1    1.0080  1
atom   1123     23  OS    "D-Adenosine O4"            8   16.0000  2
atom   1124      1  CT    "D-Adenosine C1"            6   12.0100  4
atom   1125     36  H2    "D-Adenosine H1"            1    1.0080  1
atom   1126      1  CT    "D-Adenosine C3"            6   12.0100  4
atom   1127     35  H1    "D-Adenosine H3"            1    1.0080  1
atom   1128      1  CT    "D-Adenosine C2"            6   12.0100  4
atom   1129     34  HC    "D-Adenosine H21"           1    1.0080  1
atom   1130     34  HC    "D-Adenosine H22"           1    1.0080  1
atom   1131     23  OS    "D-Adenosine O3"            8   16.0000  2
atom   1132     18  N*    "D-Adenosine N9"             7   14.0100  3
atom   1133      9  CB    "D-Adenosine C4"             6   12.0100  3
atom   1134      9  CB    "D-Adenosine C5"             6   12.0100  3
atom   1135     16  NB    "D-Adenosine N7"             7   14.0100  2
atom   1136     12  CK    "D-Adenosine C8"             6   12.0100  3
atom   1137     17  NC    "D-Adenosine N3"             7   14.0100  2
atom   1138     13  CQ    "D-Adenosine C2"             6   12.0100  3
atom   1139     17  NC    "D-Adenosine N1"             7   14.0100  2
atom   1140      3  CA    "D-Adenosine C6"             6   12.0000  3
atom   1141     40  H5    "D-Adenosine H2"             1    1.0080  1
atom   1142     19  N2    "D-Adenosine N6"             7   14.0100  3
atom   1143     29  H     "D-Adenosine H61"            1    1.0080  1
atom   1144     29  H     "D-Adenosine H62"            1    1.0080  1
atom   1145     40  H5    "D-Adenosine H8"             1    1.0080  1
atom   1146     23  OS    "D-Guanosine O5"            8   16.0000  2
atom   1147      1  CT    "D-Guanosine C5"            6   12.0100  4
atom   1148     35  H1    "D-Guanosine H51"           1    1.0080  1
atom   1149     35  H1    "D-Guanosine H52"           1    1.0080  1
atom   1150      1  CT    "D-Guanosine C4"            6   12.0100  4
atom   1151     35  H1    "D-Guanosine H4"            1    1.0080  1
atom   1152     23  OS    "D-Guanosine O4"            8   16.0000  2
atom   1153      1  CT    "D-Guanosine C1"            6   12.0100  4
atom   1154     36  H2    "D-Guanosine H1"            1    1.0080  1
atom   1155      1  CT    "D-Guanosine C3"            6   12.0100  4
atom   1156     35  H1    "D-Guanosine H3"            1    1.0080  1
atom   1157      1  CT    "D-Guanosine C2"            6   12.0100  4
atom   1158     34  HC    "D-Guanosine H21"           1    1.0080  1
atom   1159     34  HC    "D-Guanosine H22"           1    1.0080  1
atom   1160     23  OS    "D-Guanosine O3"            8   16.0000  2
atom   1161     18  N*    "D-Guanosine N9"             7   14.0100  3
atom   1162      9  CB    "D-Guanosine C4"             6   12.0100  3
atom   1163      9  CB    "D-Guanosine C5"             6   12.0100  3
atom   1164     16  NB    "D-Guanosine N7"             7   14.0100  2
atom   1165     12  CK    "D-Guanosine C8"             6   12.0100  3
atom   1166     17  NC    "D-Guanosine N3"             7   14.0100  2
atom   1167      3  CA    "D-Guanosine C2"             6   12.0100  3
atom   1168     15  NA    "D-Guanosine N1"             7   14.0100  3
atom   1169      2  C     "D-Guanosine C6"             6   12.0100  3
atom   1170     29  H     "D-Guanosine H1"             1    1.0080  1
atom   1171     19  N2    "D-Guanosine N2"             7   14.0100  3
atom   1172     29  H     "D-Guanosine H21"            1    1.0080  1
atom   1173     29  H     "D-Guanosine H22"            1    1.0080  1
atom   1174     24  O     "D-Guanosine O6"             8   16.0000  1
atom   1175     40  H5    "D-Guanosine H8"             1    1.0080  1
atom   1176     23  OS    "D-Cytosine O5"             8   16.0000  2
atom   1177      1  CT    "D-Cytosine C5"             6   12.0100  4
atom   1178     35  H1    "D-Cytosine H51"            1    1.0080  1
atom   1179     35  H1    "D-Cytosine H52"            1    1.0080  1
atom   1180      1  CT    "D-Cytosine C4"             6   12.0100  4
atom   1181     35  H1    "D-Cytosine H4"             1    1.0080  1
atom   1182     23  OS    "D-Cytosine O4"             8   16.0000  2
atom   1183      1  CT    "D-Cytosine C1"             6   12.0100  4
atom   1184     36  H2    "D-Cytosine H1"             1    1.0080  1
atom   1185      1  CT    "D-Cytosine C3"             6   12.0100  4
atom   1186     35  H1    "D-Cytosine H3"             1    1.0080  1
atom   1187      1  CT    "D-Cytosine C2"             6   12.0100  4
atom   1188     34  HC    "D-Cytosine H21"            1    1.0080  1
atom   1189     34  HC    "D-Cytosine H22"            1    1.0080  1
atom   1190     23  OS    "D-Cytosine O3"             8   16.0000  2
atom   1191     18  N*    "D-Cytosine N1"              7   14.0100  3
atom   1192      2  C     "D-Cytosine C2"              6   12.0100  3
atom   1193     17  NC    "D-Cytosine N3"              7   14.0100  2
atom   1194      3  CA    "D-Cytosine C4"              6   12.0100  3
atom   1195      4  CM    "D-Cytosine C5"              6   12.0100  3
atom   1196      4  CM    "D-Cytosine C6"              6   12.0100  3
atom   1197     24  O     "D-Cytosine O2"              8   16.0000  1
atom   1198     19  N2    "D-Cytosine N4"              7   14.0100  3
atom   1199     29  H     "D-Cytosine H41"             1    1.0080  1
atom   1200     29  H     "D-Cytosine H42"             1    1.0080  1
atom   1201     33  HA    "D-Cytosine H5"              1    1.0080  1
atom   1202     39  H4    "D-Cytosine H6"              1    1.0080  1
atom   1203     23  OS    "D-Thymine O5"              8   16.0000  2
atom   1204      1  CT    "D-Thymine C5"              6   12.0100  4
atom   1205     35  H1    "D-Thymine H51"             1    1.0080  1
atom   1206     35  H1    "D-Thymine H52"             1    1.0080  1
atom   1207      1  CT    "D-Thymine C4"              6   12.0100  4
atom   1208     35  H1    "D-Thymine H4"              1    1.0080  1
atom   1209     23  OS    "D-Thymine O4"              8   16.0000  2
atom   1210      1  CT    "D-Thymine C1"              6   12.0100  4
atom   1211     36  H2    "D-Thymine H1"              1    1.0080  1
atom   1212      1  CT    "D-Thymine C3"              6   12.0100  4
atom   1213     35  H1    "D-Thymine H3"              1    1.0080  1
atom   1214      1  CT    "D-Thymine C2"              6   12.0100  4
atom   1215     34  HC    "D-Thymine H21"             1    1.0080  1
atom   1216     34  HC    "D-Thymine H22"             1    1.0080  1
atom   1217     23  OS    "D-Thymine O3"              8   16.0000  2
atom   1218     18  N*    "D-Thymine N1"               7   14.0100  3
atom   1219      2  C     "D-Thymine C2"               6   12.0100  3
atom   1220     15  NA    "D-Thymine N3"               7   14.0100  3
atom   1221      2  C     "D-Thymine C4"               6   12.0100  3
atom   1222      4  CM    "D-Thymine C5"               6   12.0100  3
atom   1223      4  CM    "D-Thymine C6"               6   12.0100  3
atom   1224     24  O     "D-Thymine O2"               8   16.0000  1
atom   1225     29  H     "D-Thymine H3"               1    1.0080  1
atom   1226     24  O     "D-Thymine O4"               8   16.0000  1
atom   1227      1  CT    "D-Thymine C7"               6   12.0100  4
atom   1228     34  HC    "D-Thymine H7"               1    1.0080  1
atom   1229     39  H4    "D-Thymine H6"               1    1.0080  1
atom   1230     28  P     "R-Phosphodiester P"        15   30.9700  4
atom   1231     25  O2    "R-Phosphodiester OP"        8   16.0000  1
atom   1232     22  OH    "R-5-Hydroxyl O5"          8   16.0000  2
atom   1233     31  HO    "R-5-Hydroxyl H5T"          1    1.0080  1
atom   1234     23  OS    "R-5-Phosphate O5"         8   16.0000  2
atom   1235     28  P     "R-5-Phosphate P"          15   30.9700  4
atom   1236     25  O2    "R-5-Phosphate OP"          8   16.0000  1
atom   1237     22  OH    "R-3-Hydroxyl O3"          8   16.0000  2
atom   1238     31  HO    "R-3-Hydroxyl H3T"          1    1.0080  1
atom   1239     23  OS    "R-3-Phosphate O3"         8   16.0000  2
atom   1240     28  P     "R-3-Phosphate P"          15   30.9700  4
atom   1241     25  O2    "R-3-Phosphate OP"          8   16.0000  1
atom   1242     28  P     "D-Phosphodiester P"        15   30.9700  4
atom   1243     25  O2    "D-Phosphodiester OP"        8   16.0000  1
atom   1244     22  OH    "D-5-Hydroxyl O5"          8   16.0000  2
atom   1245     31  HO    "D-5-Hydroxyl H5T"          1    1.0080  1
atom   1246     23  OS    "D-5-Phosphate O5"         8   16.0000  2
atom   1247     28  P     "D-5-Phosphate P"          15   30.9700  4
atom   1248     25  O2    "D-5-Phosphate OP"          8   16.0000  1
atom   1249     22  OH    "D-3-Hydroxyl O3"          8   16.0000  2
atom   1250     31  HO    "D-3-Hydroxyl H3T"          1    1.0080  1
atom   1251     23  OS    "D-3-Phosphate O3"         8   16.0000  2
atom   1252     28  P     "D-3-Phosphate P"          15   30.9700  4
atom   1253     25  O2    "D-3-Phosphate OP"          8   16.0000  1
atom   2001     21  OW    "TIP3P Oxygen"               8   16.0000  2
atom   2002     30  HW    "TIP3P Hydrogen"             1    1.0080  1
atom   2003     41  Li+   "Li+ Lithium Ion"            3    6.9400  0
atom   2004     42  Na+   "Na+ Sodium Ion"            11   22.9900  0
atom   2005     43  K+    "K+ Potassium Ion"          19   39.1000  0
atom   2006     44  Rb+   "Rb+ Rubidium Ion"          37   85.4700  0
atom   2007     45  Cs+   "Cs+ Cesium Ion"            55  132.9100  0
atom   2008     46  Mg+   "Mg+2 Magnesium Ion"        12   24.3050  0
atom   2009     47  Ca+   "Ca+2 Calcium Ion"          20   40.0800  0
atom   2010     48  Sr+   "Sr+2 Strontium Ion"        38   87.6200  0
atom   2011     49  Ba+   "Ba+2 Barium Ion"           56  137.3300  0
atom   2012     50  Cl-   "Cl- Chloride Ion"          17   35.4500  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-)          "     -1
biotype     97  CA    "Cysteine (S-)          "     -1
biotype     98  C     "Cysteine (S-)          "     -1
biotype     99  HN    "Cysteine (S-)          "     -1
biotype    100  O     "Cysteine (S-)          "     -1
biotype    101  HA    "Cysteine (S-)          "     -1
biotype    102  CB    "Cysteine (S-)          "     -1
biotype    103  HB    "Cysteine (S-)          "     -1
biotype    104  SG    "Cysteine (S-)          "     -1
biotype    105  N     "Proline                "     96
biotype    106  CA    "Proline                "     97
biotype    107  C     "Proline                "     98
biotype    108  O     "Proline                "     99
biotype    109  HA    "Proline                "    100
biotype    110  CB    "Proline                "    101
biotype    111  HB    "Proline                "    102
biotype    112  CG    "Proline                "    103
biotype    113  HG    "Proline                "    104
biotype    114  CD    "Proline                "    105
biotype    115  HD    "Proline                "    106
biotype    116  N     "Phenylalanine          "    107
biotype    117  CA    "Phenylalanine          "    108
biotype    118  C     "Phenylalanine          "    109
biotype    119  HN    "Phenylalanine          "    110
biotype    120  O     "Phenylalanine          "    111
biotype    121  HA    "Phenylalanine          "    112
biotype    122  CB    "Phenylalanine          "    113
biotype    123  HB    "Phenylalanine          "    114
biotype    124  CG    "Phenylalanine          "    115
biotype    125  CD    "Phenylalanine          "    116
biotype    126  HD    "Phenylalanine          "    117
biotype    127  CE    "Phenylalanine          "    118
biotype    128  HE    "Phenylalanine          "    119
biotype    129  CZ    "Phenylalanine          "    120
biotype    130  HZ    "Phenylalanine          "    121
biotype    131  N     "Tyrosine               "    122
biotype    132  CA    "Tyrosine               "    123
biotype    133  C     "Tyrosine               "    124
biotype    134  HN    "Tyrosine               "    125
biotype    135  O     "Tyrosine               "    126
biotype    136  HA    "Tyrosine               "    127
biotype    137  CB    "Tyrosine               "    128
biotype    138  HB    "Tyrosine               "    129
biotype    139  CG    "Tyrosine               "    130
biotype    140  CD    "Tyrosine               "    131
biotype    141  HD    "Tyrosine               "    132
biotype    142  CE    "Tyrosine               "    133
biotype    143  HE    "Tyrosine               "    134
biotype    144  CZ    "Tyrosine               "    135
biotype    145  OH    "Tyrosine               "    136
biotype    146  HH    "Tyrosine               "    137
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             "    138
biotype    163  CA    "Tryptophan             "    139
biotype    164  C     "Tryptophan             "    140
biotype    165  HN    "Tryptophan             "    141
biotype    166  O     "Tryptophan             "    142
biotype    167  HA    "Tryptophan             "    143
biotype    168  CB    "Tryptophan             "    144
biotype    169  HB    "Tryptophan             "    145
biotype    170  CG    "Tryptophan             "    146
biotype    171  CD1   "Tryptophan             "    147
biotype    172  HD1   "Tryptophan             "    148
biotype    173  CD2   "Tryptophan             "    149
biotype    174  NE1   "Tryptophan             "    150
biotype    175  HE1   "Tryptophan             "    151
biotype    176  CE2   "Tryptophan             "    152
biotype    177  CE3   "Tryptophan             "    153
biotype    178  HE3   "Tryptophan             "    154
biotype    179  CZ2   "Tryptophan             "    155
biotype    180  HZ2   "Tryptophan             "    156
biotype    181  CZ3   "Tryptophan             "    157
biotype    182  HZ3   "Tryptophan             "    158
biotype    183  CH2   "Tryptophan             "    159
biotype    184  HH2   "Tryptophan             "    160
biotype    185  N     "Histidine (+)          "    161
biotype    186  CA    "Histidine (+)          "    162
biotype    187  C     "Histidine (+)          "    163
biotype    188  HN    "Histidine (+)          "    164
biotype    189  O     "Histidine (+)          "    165
biotype    190  HA    "Histidine (+)          "    166
biotype    191  CB    "Histidine (+)          "    167
biotype    192  HB    "Histidine (+)          "    168
biotype    193  CG    "Histidine (+)          "    169
biotype    194  ND1   "Histidine (+)          "    170
biotype    195  HD1   "Histidine (+)          "    171
biotype    196  CD2   "Histidine (+)          "    172
biotype    197  HD2   "Histidine (+)          "    173
biotype    198  CE1   "Histidine (+)          "    174
biotype    199  HE1   "Histidine (+)          "    175
biotype    200  NE2   "Histidine (+)          "    176
biotype    201  HE2   "Histidine (+)          "    177
biotype    202  N     "Histidine (HD)         "    178
biotype    203  CA    "Histidine (HD)         "    179
biotype    204  C     "Histidine (HD)         "    180
biotype    205  HN    "Histidine (HD)         "    181
biotype    206  O     "Histidine (HD)         "    182
biotype    207  HA    "Histidine (HD)         "    183
biotype    208  CB    "Histidine (HD)         "    184
biotype    209  HB    "Histidine (HD)         "    185
biotype    210  CG    "Histidine (HD)         "    186
biotype    211  ND1   "Histidine (HD)         "    187
biotype    212  HD1   "Histidine (HD)         "    188
biotype    213  CD2   "Histidine (HD)         "    189
biotype    214  HD2   "Histidine (HD)         "    190
biotype    215  CE1   "Histidine (HD)         "    191
biotype    216  HE1   "Histidine (HD)         "    192
biotype    217  NE2   "Histidine (HD)         "    193
biotype    218  N     "Histidine (HE)         "    194
biotype    219  CA    "Histidine (HE)         "    195
biotype    220  C     "Histidine (HE)         "    196
biotype    221  HN    "Histidine (HE)         "    197
biotype    222  O     "Histidine (HE)         "    198
biotype    223  HA    "Histidine (HE)         "    199
biotype    224  CB    "Histidine (HE)         "    200
biotype    225  HB    "Histidine (HE)         "    201
biotype    226  CG    "Histidine (HE)         "    202
biotype    227  ND1   "Histidine (HE)         "    203
biotype    228  CD2   "Histidine (HE)         "    204
biotype    229  HD2   "Histidine (HE)         "    205
biotype    230  CE1   "Histidine (HE)         "    206
biotype    231  HE1   "Histidine (HE)         "    207
biotype    232  NE2   "Histidine (HE)         "    208
biotype    233  HE2   "Histidine (HE)         "    209
biotype    234  N     "Aspartic Acid          "    210
biotype    235  CA    "Aspartic Acid          "    211
biotype    236  C     "Aspartic Acid          "    212
biotype    237  HN    "Aspartic Acid          "    213
biotype    238  O     "Aspartic Acid          "    214
biotype    239  HA    "Aspartic Acid          "    215
biotype    240  CB    "Aspartic Acid          "    216
biotype    241  HB    "Aspartic Acid          "    217
biotype    242  CG    "Aspartic Acid          "    218
biotype    243  OD    "Aspartic Acid          "    219
biotype    244  N     "Aspartic Acid (COOH)   "     -1
biotype    245  CA    "Aspartic Acid (COOH)   "     -1
biotype    246  C     "Aspartic Acid (COOH)   "     -1
biotype    247  HN    "Aspartic Acid (COOH)   "     -1
biotype    248  O     "Aspartic Acid (COOH)   "     -1
biotype    249  HA    "Aspartic Acid (COOH)   "     -1
biotype    250  CB    "Aspartic Acid (COOH)   "     -1
biotype    251  HB    "Aspartic Acid (COOH)   "     -1
biotype    252  CG    "Aspartic Acid (COOH)   "     -1
biotype    253  OD1   "Aspartic Acid (COOH)   "     -1
biotype    254  OD2   "Aspartic Acid (COOH)   "     -1
biotype    255  HD2   "Aspartic Acid (COOH)   "     -1
biotype    256  N     "Asparagine             "    220
biotype    257  CA    "Asparagine             "    221
biotype    258  C     "Asparagine             "    222
biotype    259  HN    "Asparagine             "    223
biotype    260  O     "Asparagine             "    224
biotype    261  HA    "Asparagine             "    225
biotype    262  CB    "Asparagine             "    226
biotype    263  HB    "Asparagine             "    227
biotype    264  CG    "Asparagine             "    228
biotype    265  OD1   "Asparagine             "    229
biotype    266  ND2   "Asparagine             "    230
biotype    267  HD2   "Asparagine             "    231
biotype    268  N     "Glutamic Acid          "    232
biotype    269  CA    "Glutamic Acid          "    233
biotype    270  C     "Glutamic Acid          "    234
biotype    271  HN    "Glutamic Acid          "    235
biotype    272  O     "Glutamic Acid          "    236
biotype    273  HA    "Glutamic Acid          "    237
biotype    274  CB    "Glutamic Acid          "    238
biotype    275  HB    "Glutamic Acid          "    239
biotype    276  CG    "Glutamic Acid          "    240
biotype    277  HG    "Glutamic Acid          "    241
biotype    278  CD    "Glutamic Acid          "    242
biotype    279  OE    "Glutamic Acid          "    243
biotype    280  N     "Glutamic Acid (COOH)   "     -1
biotype    281  CA    "Glutamic Acid (COOH)   "     -1
biotype    282  C     "Glutamic Acid (COOH)   "     -1
biotype    283  HN    "Glutamic Acid (COOH)   "     -1
biotype    284  O     "Glutamic Acid (COOH)   "     -1
biotype    285  HA    "Glutamic Acid (COOH)   "     -1
biotype    286  CB    "Glutamic Acid (COOH)   "     -1
biotype    287  HB    "Glutamic Acid (COOH)   "     -1
biotype    288  CG    "Glutamic Acid (COOH)   "     -1
biotype    289  HG    "Glutamic Acid (COOH)   "     -1
biotype    290  CD    "Glutamic Acid (COOH)   "     -1
biotype    291  OE1   "Glutamic Acid (COOH)   "     -1
biotype    292  OE2   "Glutamic Acid (COOH)   "     -1
biotype    293  HE2   "Glutamic Acid (COOH)   "     -1
biotype    294  N     "Glutamine              "    244
biotype    295  CA    "Glutamine              "    245
biotype    296  C     "Glutamine              "    246
biotype    297  HN    "Glutamine              "    247
biotype    298  O     "Glutamine              "    248
biotype    299  HA    "Glutamine              "    249
biotype    300  CB    "Glutamine              "    250
biotype    301  HB    "Glutamine              "    251
biotype    302  CG    "Glutamine              "    252
biotype    303  HG    "Glutamine              "    253
biotype    304  CD    "Glutamine              "    254
biotype    305  OE1   "Glutamine              "    255
biotype    306  NE2   "Glutamine              "    256
biotype    307  HE2   "Glutamine              "    257
biotype    308  N     "Methionine             "    258
biotype    309  CA    "Methionine             "    259
biotype    310  C     "Methionine             "    260
biotype    311  HN    "Methionine             "    261
biotype    312  O     "Methionine             "    262
biotype    313  HA    "Methionine             "    263
biotype    314  CB    "Methionine             "    264
biotype    315  HB    "Methionine             "    265
biotype    316  CG    "Methionine             "    266
biotype    317  HG    "Methionine             "    267
biotype    318  SD    "Methionine             "    268
biotype    319  CE    "Methionine             "    269
biotype    320  HE    "Methionine             "    270
biotype    321  N     "Lysine                 "    271
biotype    322  CA    "Lysine                 "    272
biotype    323  C     "Lysine                 "    273
biotype    324  HN    "Lysine                 "    274
biotype    325  O     "Lysine                 "    275
biotype    326  HA    "Lysine                 "    276
biotype    327  CB    "Lysine                 "    277
biotype    328  HB    "Lysine                 "    278
biotype    329  CG    "Lysine                 "    279
biotype    330  HG    "Lysine                 "    280
biotype    331  CD    "Lysine                 "    281
biotype    332  HD    "Lysine                 "    282
biotype    333  CE    "Lysine                 "    283
biotype    334  HE    "Lysine                 "    284
biotype    335  NZ    "Lysine                 "    285
biotype    336  HZ    "Lysine                 "    286
biotype    337  N     "Lysine (NH2)           "     -1
biotype    338  CA    "Lysine (NH2)           "     -1
biotype    339  C     "Lysine (NH2)           "     -1
biotype    340  HN    "Lysine (NH2)           "     -1
biotype    341  O     "Lysine (NH2)           "     -1
biotype    342  HA    "Lysine (NH2)           "     -1
biotype    343  CB    "Lysine (NH2)           "     -1
biotype    344  HB    "Lysine (NH2)           "     -1
biotype    345  CG    "Lysine (NH2)           "     -1
biotype    346  HG    "Lysine (NH2)           "     -1
biotype    347  CD    "Lysine (NH2)           "     -1
biotype    348  HD    "Lysine (NH2)           "     -1
biotype    349  CE    "Lysine (NH2)           "     -1
biotype    350  HE    "Lysine (NH2)           "     -1
biotype    351  NZ    "Lysine (NH2)           "     -1
biotype    352  HZ    "Lysine (NH2)           "     -1
biotype    353  N     "Arginine               "    287
biotype    354  CA    "Arginine               "    288
biotype    355  C     "Arginine               "    289
biotype    356  HN    "Arginine               "    290
biotype    357  O     "Arginine               "    291
biotype    358  HA    "Arginine               "    292
biotype    359  CB    "Arginine               "    293
biotype    360  HB    "Arginine               "    294
biotype    361  CG    "Arginine               "    295
biotype    362  HG    "Arginine               "    296
biotype    363  CD    "Arginine               "    297
biotype    364  HD    "Arginine               "    298
biotype    365  NE    "Arginine               "    299
biotype    366  HE    "Arginine               "    300
biotype    367  CZ    "Arginine               "    301
biotype    368  NH    "Arginine               "    302
biotype    369  HH    "Arginine               "    303
biotype    370  N     "Ornithine              "    304
biotype    371  CA    "Ornithine              "    305
biotype    372  C     "Ornithine              "    306
biotype    373  HN    "Ornithine              "    307
biotype    374  O     "Ornithine              "    308
biotype    375  HA    "Ornithine              "    309
biotype    376  CB    "Ornithine              "    310
biotype    377  HB    "Ornithine              "    311
biotype    378  CG    "Ornithine              "    312
biotype    379  HG    "Ornithine              "    313
biotype    380  CD    "Ornithine              "    314
biotype    381  HD    "Ornithine              "    315
biotype    382  NE    "Ornithine              "    316
biotype    383  HE    "Ornithine              "    317
biotype    384  N     "MethylAlanine (AIB)    "    318
biotype    385  CA    "MethylAlanine (AIB)    "    319
biotype    386  C     "MethylAlanine (AIB)    "    320
biotype    387  HN    "MethylAlanine (AIB)    "    321
biotype    388  O     "MethylAlanine (AIB)    "    322
biotype    389  CB    "MethylAlanine (AIB)    "    323
biotype    390  HB    "MethylAlanine (AIB)    "    324
biotype    391  N     "Pyroglutamic Acid      "    325
biotype    392  CA    "Pyroglutamic Acid      "    326
biotype    393  C     "Pyroglutamic Acid      "    327
biotype    394  HN    "Pyroglutamic Acid      "    328
biotype    395  O     "Pyroglutamic Acid      "    329
biotype    396  HA    "Pyroglutamic Acid      "    330
biotype    397  CB    "Pyroglutamic Acid      "    331
biotype    398  HB    "Pyroglutamic Acid      "    332
biotype    399  CG    "Pyroglutamic Acid      "    333
biotype    400  HG    "Pyroglutamic Acid      "    334
biotype    401  CD    "Pyroglutamic Acid      "    335
biotype    402  OE    "Pyroglutamic Acid      "    336
biotype    403  N     "N-Terminal GLY         "    350
biotype    404  CA    "N-Terminal GLY         "    351
biotype    405  C     "N-Terminal GLY         "    352
biotype    406  HN    "N-Terminal GLY         "    353
biotype    407  O     "N-Terminal GLY         "    354
biotype    408  HA    "N-Terminal GLY         "    355
biotype    409  N     "N-Terminal ALA         "    356
biotype    410  CA    "N-Terminal ALA         "    357
biotype    411  C     "N-Terminal ALA         "    358
biotype    412  HN    "N-Terminal ALA         "    359
biotype    413  O     "N-Terminal ALA         "    360
biotype    414  HA    "N-Terminal ALA         "    361
biotype    415  N     "N-Terminal VAL         "    362
biotype    416  CA    "N-Terminal VAL         "    363
biotype    417  C     "N-Terminal VAL         "    364
biotype    418  HN    "N-Terminal VAL         "    365
biotype    419  O     "N-Terminal VAL         "    366
biotype    420  HA    "N-Terminal VAL         "    367
biotype    421  N     "N-Terminal LEU         "    368
biotype    422  CA    "N-Terminal LEU         "    369
biotype    423  C     "N-Terminal LEU         "    370
biotype    424  HN    "N-Terminal LEU         "    371
biotype    425  O     "N-Terminal LEU         "    372
biotype    426  HA    "N-Terminal LEU         "    373
biotype    427  N     "N-Terminal ILE         "    374
biotype    428  CA    "N-Terminal ILE         "    375
biotype    429  C     "N-Terminal ILE         "    376
biotype    430  HN    "N-Terminal ILE         "    377
biotype    431  O     "N-Terminal ILE         "    378
biotype    432  HA    "N-Terminal ILE         "    379
biotype    433  N     "N-Terminal SER         "    380
biotype    434  CA    "N-Terminal SER         "    381
biotype    435  C     "N-Terminal SER         "    382
biotype    436  HN    "N-Terminal SER         "    383
biotype    437  O     "N-Terminal SER         "    384
biotype    438  HA    "N-Terminal SER         "    385
biotype    439  N     "N-Terminal THR         "    386
biotype    440  CA    "N-Terminal THR         "    387
biotype    441  C     "N-Terminal THR         "    388
biotype    442  HN    "N-Terminal THR         "    389
biotype    443  O     "N-Terminal THR         "    390
biotype    444  HA    "N-Terminal THR         "    391
biotype    445  N     "N-Terminal CYS (SH)    "    392
biotype    446  CA    "N-Terminal CYS (SH)    "    393
biotype    447  C     "N-Terminal CYS (SH)    "    394
biotype    448  HN    "N-Terminal CYS (SH)    "    395
biotype    449  O     "N-Terminal CYS (SH)    "    396
biotype    450  HA    "N-Terminal CYS (SH)    "    397
biotype    451  N     "N-Terminal CYX (SS)    "    398
biotype    452  CA    "N-Terminal CYX (SS)    "    399
biotype    453  C     "N-Terminal CYX (SS)    "    400
biotype    454  HN    "N-Terminal CYX (SS)    "    401
biotype    455  O     "N-Terminal CYX (SS)    "    402
biotype    456  HA    "N-Terminal CYX (SS)    "    403
biotype    457  N     "N-Terminal CYD (S-)    "     -1
biotype    458  CA    "N-Terminal CYD (S-)    "     -1
biotype    459  C     "N-Terminal CYD (S-)    "     -1
biotype    460  HN    "N-Terminal CYD (S-)    "     -1
biotype    461  O     "N-Terminal CYD (S-)    "     -1
biotype    462  HA    "N-Terminal CYD (S-)    "     -1
biotype    463  N     "N-Terminal PRO         "    404
biotype    464  CA    "N-Terminal PRO         "    405
biotype    465  C     "N-Terminal PRO         "    406
biotype    466  HN    "N-Terminal PRO         "    407
biotype    467  O     "N-Terminal PRO         "    408
biotype    468  HA    "N-Terminal PRO         "    409
biotype    469  CD    "N-Terminal PRO         "    410
biotype    470  HD    "N-Terminal PRO         "    411
biotype    471  N     "N-Terminal PHE         "    412
biotype    472  CA    "N-Terminal PHE         "    413
biotype    473  C     "N-Terminal PHE         "    414
biotype    474  HN    "N-Terminal PHE         "    415
biotype    475  O     "N-Terminal PHE         "    416
biotype    476  HA    "N-Terminal PHE         "    417
biotype    477  N     "N-Terminal TYR         "    418
biotype    478  CA    "N-Terminal TYR         "    419
biotype    479  C     "N-Terminal TYR         "    420
biotype    480  HN    "N-Terminal TYR         "    421
biotype    481  O     "N-Terminal TYR         "    422
biotype    482  HA    "N-Terminal TYR         "    423
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         "    424
biotype    490  CA    "N-Terminal TRP         "    425
biotype    491  C     "N-Terminal TRP         "    426
biotype    492  HN    "N-Terminal TRP         "    427
biotype    493  O     "N-Terminal TRP         "    428
biotype    494  HA    "N-Terminal TRP         "    429
biotype    495  N     "N-Terminal HIS (+)     "    430
biotype    496  CA    "N-Terminal HIS (+)     "    431
biotype    497  C     "N-Terminal HIS (+)     "    432
biotype    498  HN    "N-Terminal HIS (+)     "    433
biotype    499  O     "N-Terminal HIS (+)     "    434
biotype    500  HA    "N-Terminal HIS (+)     "    435
biotype    501  N     "N-Terminal HIS (HD)    "    436
biotype    502  CA    "N-Terminal HIS (HD)    "    437
biotype    503  C     "N-Terminal HIS (HD)    "    438
biotype    504  HN    "N-Terminal HIS (HD)    "    439
biotype    505  O     "N-Terminal HIS (HD)    "    440
biotype    506  HA    "N-Terminal HIS (HD)    "    441
biotype    507  N     "N-Terminal HIS (HE)    "    442
biotype    508  CA    "N-Terminal HIS (HE)    "    443
biotype    509  C     "N-Terminal HIS (HE)    "    444
biotype    510  HN    "N-Terminal HIS (HE)    "    445
biotype    511  O     "N-Terminal HIS (HE)    "    446
biotype    512  HA    "N-Terminal HIS (HE)    "    447
biotype    513  N     "N-Terminal ASP         "    448
biotype    514  CA    "N-Terminal ASP         "    449
biotype    515  C     "N-Terminal ASP         "    450
biotype    516  HN    "N-Terminal ASP         "    451
biotype    517  O     "N-Terminal ASP         "    452
biotype    518  HA    "N-Terminal ASP         "    453
biotype    519  N     "N-Terminal ASH (COOH)  "     -1
biotype    520  CA    "N-Terminal ASH (COOH)  "     -1
biotype    521  C     "N-Terminal ASH (COOH)  "     -1
biotype    522  HN    "N-Terminal ASH (COOH)  "     -1
biotype    523  O     "N-Terminal ASH (COOH)  "     -1
biotype    524  HA    "N-Terminal ASH (COOH)  "     -1
biotype    525  N     "N-Terminal ASN         "    454
biotype    526  CA    "N-Terminal ASN         "    455
biotype    527  C     "N-Terminal ASN         "    456
biotype    528  HN    "N-Terminal ASN         "    457
biotype    529  O     "N-Terminal ASN         "    458
biotype    530  HA    "N-Terminal ASN         "    459
biotype    531  N     "N-Terminal GLU         "    460
biotype    532  CA    "N-Terminal GLU         "    461
biotype    533  C     "N-Terminal GLU         "    462
biotype    534  HN    "N-Terminal GLU         "    463
biotype    535  O     "N-Terminal GLU         "    464
biotype    536  HA    "N-Terminal GLU         "    465
biotype    537  N     "N-Terminal GLH (COOH)  "     -1
biotype    538  CA    "N-Terminal GLH (COOH)  "     -1
biotype    539  C     "N-Terminal GLH (COOH)  "     -1
biotype    540  HN    "N-Terminal GLH (COOH)  "     -1
biotype    541  O     "N-Terminal GLH (COOH)  "     -1
biotype    542  HA    "N-Terminal GLH (COOH)  "     -1
biotype    543  N     "N-Terminal GLN         "    466
biotype    544  CA    "N-Terminal GLN         "    467
biotype    545  C     "N-Terminal GLN         "    468
biotype    546  HN    "N-Terminal GLN         "    469
biotype    547  O     "N-Terminal GLN         "    470
biotype    548  HA    "N-Terminal GLN         "    471
biotype    549  N     "N-Terminal MET         "    472
biotype    550  CA    "N-Terminal MET         "    473
biotype    551  C     "N-Terminal MET         "    474
biotype    552  HN    "N-Terminal MET         "    475
biotype    553  O     "N-Terminal MET         "    476
biotype    554  HA    "N-Terminal MET         "    477
biotype    555  N     "N-Terminal LYS         "    478
biotype    556  CA    "N-Terminal LYS         "    479
biotype    557  C     "N-Terminal LYS         "    480
biotype    558  HN    "N-Terminal LYS         "    481
biotype    559  O     "N-Terminal LYS         "    482
biotype    560  HA    "N-Terminal LYS         "    483
biotype    561  N     "N-Terminal LYD (NH2)   "     -1
biotype    562  CA    "N-Terminal LYD (NH2)   "     -1
biotype    563  C     "N-Terminal LYD (NH2)   "     -1
biotype    564  HN    "N-Terminal LYD (NH2)   "     -1
biotype    565  O     "N-Terminal LYD (NH2)   "     -1
biotype    566  HA    "N-Terminal LYD (NH2)   "     -1
biotype    567  N     "N-Terminal ARG         "    484
biotype    568  CA    "N-Terminal ARG         "    485
biotype    569  C     "N-Terminal ARG         "    486
biotype    570  HN    "N-Terminal ARG         "    487
biotype    571  O     "N-Terminal ARG         "    488
biotype    572  HA    "N-Terminal ARG         "    489
biotype    573  N     "N-Terminal ORN         "    490
biotype    574  CA    "N-Terminal ORN         "    491
biotype    575  C     "N-Terminal ORN         "    492
biotype    576  HN    "N-Terminal ORN         "    493
biotype    577  O     "N-Terminal ORN         "    494
biotype    578  HA    "N-Terminal ORN         "    495
biotype    579  N     "N-Terminal AIB         "    496
biotype    580  CA    "N-Terminal AIB         "    497
biotype    581  C     "N-Terminal AIB         "    498
biotype    582  HN    "N-Terminal AIB         "    499
biotype    583  O     "N-Terminal AIB         "    500
biotype    584  N     "C-Terminal GLY         "    501
biotype    585  CA    "C-Terminal GLY         "    502
biotype    586  C     "C-Terminal GLY         "    503
biotype    587  HN    "C-Terminal GLY         "    504
biotype    588  OXT   "C-Terminal GLY         "    505
biotype    589  HA    "C-Terminal GLY         "    506
biotype    590  N     "C-Terminal ALA         "    507
biotype    591  CA    "C-Terminal ALA         "    508
biotype    592  C     "C-Terminal ALA         "    509
biotype    593  HN    "C-Terminal ALA         "    510
biotype    594  OXT   "C-Terminal ALA         "    511
biotype    595  HA    "C-Terminal ALA         "    512
biotype    596  N     "C-Terminal VAL         "    513
biotype    597  CA    "C-Terminal VAL         "    514
biotype    598  C     "C-Terminal VAL         "    515
biotype    599  HN    "C-Terminal VAL         "    516
biotype    600  OXT   "C-Terminal VAL         "    517
biotype    601  HA    "C-Terminal VAL         "    518
biotype    602  N     "C-Terminal LEU         "    519
biotype    603  CA    "C-Terminal LEU         "    520
biotype    604  C     "C-Terminal LEU         "    521
biotype    605  HN    "C-Terminal LEU         "    522
biotype    606  OXT   "C-Terminal LEU         "    523
biotype    607  HA    "C-Terminal LEU         "    524
biotype    608  N     "C-Terminal ILE         "    525
biotype    609  CA    "C-Terminal ILE         "    526
biotype    610  C     "C-Terminal ILE         "    527
biotype    611  HN    "C-Terminal ILE         "    528
biotype    612  OXT   "C-Terminal ILE         "    529
biotype    613  HA    "C-Terminal ILE         "    530
biotype    614  N     "C-Terminal SER         "    531
biotype    615  CA    "C-Terminal SER         "    532
biotype    616  C     "C-Terminal SER         "    533
biotype    617  HN    "C-Terminal SER         "    534
biotype    618  OXT   "C-Terminal SER         "    535
biotype    619  HA    "C-Terminal SER         "    536
biotype    620  N     "C-Terminal THR         "    537
biotype    621  CA    "C-Terminal THR         "    538
biotype    622  C     "C-Terminal THR         "    539
biotype    623  HN    "C-Terminal THR         "    540
biotype    624  OXT   "C-Terminal THR         "    541
biotype    625  HA    "C-Terminal THR         "    542
biotype    626  N     "C-Terminal CYS (SH)    "    543
biotype    627  CA    "C-Terminal CYS (SH)    "    544
biotype    628  C     "C-Terminal CYS (SH)    "    545
biotype    629  HN    "C-Terminal CYS (SH)    "    546
biotype    630  OXT   "C-Terminal CYS (SH)    "    547
biotype    631  HA    "C-Terminal CYS (SH)    "    548
biotype    632  N     "C-Terminal CYX (SS)    "    549
biotype    633  CA    "C-Terminal CYX (SS)    "    550
biotype    634  C     "C-Terminal CYX (SS)    "    551
biotype    635  HN    "C-Terminal CYX (SS)    "    552
biotype    636  OXT   "C-Terminal CYX (SS)    "    553
biotype    637  HA    "C-Terminal CYX (SS)    "    554
biotype    638  N     "C-Terminal CYD (S-)    "     -1
biotype    639  CA    "C-Terminal CYD (S-)    "     -1
biotype    640  C     "C-Terminal CYD (S-)    "     -1
biotype    641  HN    "C-Terminal CYD (S-)    "     -1
biotype    642  OXT   "C-Terminal CYD (S-)    "     -1
biotype    643  HA    "C-Terminal CYD (S-)    "     -1
biotype    644  N     "C-Terminal PRO         "    555
biotype    645  CA    "C-Terminal PRO         "    556
biotype    646  C     "C-Terminal PRO         "    557
biotype    647  OXT   "C-Terminal PRO         "    558
biotype    648  HA    "C-Terminal PRO         "    559
biotype    649  N     "C-Terminal PHE         "    560
biotype    650  CA    "C-Terminal PHE         "    561
biotype    651  C     "C-Terminal PHE         "    562
biotype    652  HN    "C-Terminal PHE         "    563
biotype    653  OXT   "C-Terminal PHE         "    564
biotype    654  HA    "C-Terminal PHE         "    565
biotype    655  N     "C-Terminal TYR         "    566
biotype    656  CA    "C-Terminal TYR         "    567
biotype    657  C     "C-Terminal TYR         "    568
biotype    658  HN    "C-Terminal TYR         "    569
biotype    659  OXT   "C-Terminal TYR         "    570
biotype    660  HA    "C-Terminal TYR         "    571
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         "    572
biotype    668  CA    "C-Terminal TRP         "    573
biotype    669  C     "C-Terminal TRP         "    574
biotype    670  HN    "C-Terminal TRP         "    575
biotype    671  OXT   "C-Terminal TRP         "    576
biotype    672  HA    "C-Terminal TRP         "    577
biotype    673  N     "C-Terminal HIS (+)     "    578
biotype    674  CA    "C-Terminal HIS (+)     "    579
biotype    675  C     "C-Terminal HIS (+)     "    580
biotype    676  HN    "C-Terminal HIS (+)     "    581
biotype    677  OXT   "C-Terminal HIS (+)     "    582
biotype    678  HA    "C-Terminal HIS (+)     "    583
biotype    679  N     "C-Terminal HIS (HD)    "    584
biotype    680  CA    "C-Terminal HIS (HD)    "    585
biotype    681  C     "C-Terminal HIS (HD)    "    586
biotype    682  HN    "C-Terminal HIS (HD)    "    587
biotype    683  OXT   "C-Terminal HIS (HD)    "    588
biotype    684  HA    "C-Terminal HIS (HD)    "    589
biotype    685  N     "C-Terminal HIS (HE)    "    590
biotype    686  CA    "C-Terminal HIS (HE)    "    591
biotype    687  C     "C-Terminal HIS (HE)    "    592
biotype    688  HN    "C-Terminal HIS (HE)    "    593
biotype    689  OXT   "C-Terminal HIS (HE)    "    594
biotype    690  HA    "C-Terminal HIS (HE)    "    595
biotype    691  N     "C-Terminal ASP         "    596
biotype    692  CA    "C-Terminal ASP         "    597
biotype    693  C     "C-Terminal ASP         "    598
biotype    694  HN    "C-Terminal ASP         "    599
biotype    695  OXT   "C-Terminal ASP         "    600
biotype    696  HA    "C-Terminal ASP         "    601
biotype    697  N     "C-Terminal ASH (COOH)  "     -1
biotype    698  CA    "C-Terminal ASH (COOH)  "     -1
biotype    699  C     "C-Terminal ASH (COOH)  "     -1
biotype    700  HN    "C-Terminal ASH (COOH)  "     -1
biotype    701  OXT   "C-Terminal ASH (COOH)  "     -1
biotype    702  HA    "C-Terminal ASH (COOH)  "     -1
biotype    703  N     "C-Terminal ASN         "    602
biotype    704  CA    "C-Terminal ASN         "    603
biotype    705  C     "C-Terminal ASN         "    604
biotype    706  HN    "C-Terminal ASN         "    605
biotype    707  OXT   "C-Terminal ASN         "    606
biotype    708  HA    "C-Terminal ASN         "    607
biotype    709  N     "C-Terminal GLU         "    608
biotype    710  CA    "C-Terminal GLU         "    609
biotype    711  C     "C-Terminal GLU         "    610
biotype    712  HN    "C-Terminal GLU         "    611
biotype    713  OXT   "C-Terminal GLU         "    612
biotype    714  HA    "C-Terminal GLU         "    613
biotype    715  N     "C-Terminal GLH (COOH)  "     -1
biotype    716  CA    "C-Terminal GLH (COOH)  "     -1
biotype    717  C     "C-Terminal GLH (COOH)  "     -1
biotype    718  HN    "C-Terminal GLH (COOH)  "     -1
biotype    719  OXT   "C-Terminal GLH (COOH)  "     -1
biotype    720  HA    "C-Terminal GLH (COOH)  "     -1
biotype    721  N     "C-Terminal GLN         "    614
biotype    722  CA    "C-Terminal GLN         "    615
biotype    723  C     "C-Terminal GLN         "    616
biotype    724  HN    "C-Terminal GLN         "    617
biotype    725  OXT   "C-Terminal GLN         "    618
biotype    726  HA    "C-Terminal GLN         "    619
biotype    727  N     "C-Terminal MET         "    620
biotype    728  CA    "C-Terminal MET         "    621
biotype    729  C     "C-Terminal MET         "    622
biotype    730  HN    "C-Terminal MET         "    623
biotype    731  OXT   "C-Terminal MET         "    624
biotype    732  HA    "C-Terminal MET         "    625
biotype    733  N     "C-Terminal LYS         "    626
biotype    734  CA    "C-Terminal LYS         "    627
biotype    735  C     "C-Terminal LYS         "    628
biotype    736  HN    "C-Terminal LYS         "    629
biotype    737  OXT   "C-Terminal LYS         "    630
biotype    738  HA    "C-Terminal LYS         "    631
biotype    739  N     "C-Terminal LYD (NH2)   "     -1
biotype    740  CA    "C-Terminal LYD (NH2)   "     -1
biotype    741  C     "C-Terminal LYD (NH2)   "     -1
biotype    742  HN    "C-Terminal LYD (NH2)   "     -1
biotype    743  OXT   "C-Terminal LYD (NH2)   "     -1
biotype    744  HA    "C-Terminal LYD (NH2)   "     -1
biotype    745  N     "C-Terminal ARG         "    632
biotype    746  CA    "C-Terminal ARG         "    633
biotype    747  C     "C-Terminal ARG         "    634
biotype    748  HN    "C-Terminal ARG         "    635
biotype    749  OXT   "C-Terminal ARG         "    636
biotype    750  HA    "C-Terminal ARG         "    637
biotype    751  N     "C-Terminal ORN         "    638
biotype    752  CA    "C-Terminal ORN         "    639
biotype    753  C     "C-Terminal ORN         "    640
biotype    754  HN    "C-Terminal ORN         "    641
biotype    755  OXT   "C-Terminal ORN         "    642
biotype    756  HA    "C-Terminal ORN         "    643
biotype    757  N     "C-Terminal AIB         "    644
biotype    758  CA    "C-Terminal AIB         "    645
biotype    759  C     "C-Terminal AIB         "    646
biotype    760  HN    "C-Terminal AIB         "    647
biotype    761  OXT   "C-Terminal AIB         "    648
biotype    762  N     "Deprotonated N-Terminus"     -1
biotype    763  H     "Deprotonated N-Terminus"     -1
biotype    764  C     "Formyl N-Terminus      "    337
biotype    765  H     "Formyl N-Terminus      "    338
biotype    766  O     "Formyl N-Terminus      "    339
biotype    767  CH3   "Acetyl N-Terminus      "    340
biotype    768  H     "Acetyl N-Terminus      "    341
biotype    769  C     "Acetyl N-Terminus      "    342
biotype    770  O     "Acetyl N-Terminus      "    343
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       "    344
biotype    776  HN    "Amide C-Terminus       "    345
biotype    777  N     "N-MeAmide C-Terminus   "    346
biotype    778  HN    "N-MeAmide C-Terminus   "    347
biotype    779  CH3   "N-MeAmide C-Terminus   "    348
biotype    780  H     "N-MeAmide C-Terminus   "    349
biotype   1001  O5*   "Adenosine              "   1001
biotype   1002  C5*   "Adenosine              "   1002
biotype   1003  H5*1  "Adenosine              "   1003
biotype   1004  H5*2  "Adenosine              "   1004
biotype   1005  C4*   "Adenosine              "   1005
biotype   1006  H4*   "Adenosine              "   1006
biotype   1007  O4*   "Adenosine              "   1007
biotype   1008  C1*   "Adenosine              "   1008
biotype   1009  H1*   "Adenosine              "   1009
biotype   1010  C3*   "Adenosine              "   1010
biotype   1011  H3*   "Adenosine              "   1011
biotype   1012  C2*   "Adenosine              "   1012
biotype   1013  H2*   "Adenosine              "   1013
biotype   1014  O2*   "Adenosine              "   1014
biotype   1015  HO*   "Adenosine              "   1015
biotype   1016  O3*   "Adenosine              "   1016
biotype   1017  N9    "Adenosine              "   1017
biotype   1018  C4    "Adenosine              "   1018
biotype   1019  C5    "Adenosine              "   1019
biotype   1020  N7    "Adenosine              "   1020
biotype   1021  C8    "Adenosine              "   1021
biotype   1022  N3    "Adenosine              "   1022
biotype   1023  C2    "Adenosine              "   1023
biotype   1024  N1    "Adenosine              "   1024
biotype   1025  C6    "Adenosine              "   1025
biotype   1026  H2    "Adenosine              "   1026
biotype   1027  N6    "Adenosine              "   1027
biotype   1028  H61   "Adenosine              "   1028
biotype   1029  H62   "Adenosine              "   1029
biotype   1030  H8    "Adenosine              "   1030
biotype   1031  O5*   "Guanosine              "   1031
biotype   1032  C5*   "Guanosine              "   1032
biotype   1033  H5*1  "Guanosine              "   1033
biotype   1034  H5*2  "Guanosine              "   1034
biotype   1035  C4*   "Guanosine              "   1035
biotype   1036  H4*   "Guanosine              "   1036
biotype   1037  O4*   "Guanosine              "   1037
biotype   1038  C1*   "Guanosine              "   1038
biotype   1039  H1*   "Guanosine              "   1039
biotype   1040  C3*   "Guanosine              "   1040
biotype   1041  H3*   "Guanosine              "   1041
biotype   1042  C2*   "Guanosine              "   1042
biotype   1043  H2*   "Guanosine              "   1043
biotype   1044  O2*   "Guanosine              "   1044
biotype   1045  HO*   "Guanosine              "   1045
biotype   1046  O3*   "Guanosine              "   1046
biotype   1047  N9    "Guanosine              "   1047
biotype   1048  C4    "Guanosine              "   1048
biotype   1049  C5    "Guanosine              "   1049
biotype   1050  N7    "Guanosine              "   1050
biotype   1051  C8    "Guanosine              "   1051
biotype   1052  N3    "Guanosine              "   1052
biotype   1053  C2    "Guanosine              "   1053
biotype   1054  N1    "Guanosine              "   1054
biotype   1055  C6    "Guanosine              "   1055
biotype   1056  H1    "Guanosine              "   1056
biotype   1057  N2    "Guanosine              "   1057
biotype   1058  H21   "Guanosine              "   1058
biotype   1059  H22   "Guanosine              "   1059
biotype   1060  O6    "Guanosine              "   1060
biotype   1061  H8    "Guanosine              "   1061
biotype   1062  O5*   "Cytidine               "   1062
biotype   1063  C5*   "Cytidine               "   1063
biotype   1064  H5*1  "Cytidine               "   1064
biotype   1065  H5*2  "Cytidine               "   1065
biotype   1066  C4*   "Cytidine               "   1066
biotype   1067  H4*   "Cytidine               "   1067
biotype   1068  O4*   "Cytidine               "   1068
biotype   1069  C1*   "Cytidine               "   1069
biotype   1070  H1*   "Cytidine               "   1070
biotype   1071  C3*   "Cytidine               "   1071
biotype   1072  H3*   "Cytidine               "   1072
biotype   1073  C2*   "Cytidine               "   1073
biotype   1074  H2*   "Cytidine               "   1074
biotype   1075  O2*   "Cytidine               "   1075
biotype   1076  HO*   "Cytidine               "   1076
biotype   1077  O3*   "Cytidine               "   1077
biotype   1078  N1    "Cytidine               "   1078
biotype   1079  C2    "Cytidine               "   1079
biotype   1080  N3    "Cytidine               "   1080
biotype   1081  C4    "Cytidine               "   1081
biotype   1082  C5    "Cytidine               "   1082
biotype   1083  C6    "Cytidine               "   1083
biotype   1084  O2    "Cytidine               "   1084
biotype   1085  N4    "Cytidine               "   1085
biotype   1086  H41   "Cytidine               "   1086
biotype   1087  H42   "Cytidine               "   1087
biotype   1088  H5    "Cytidine               "   1088
biotype   1089  H6    "Cytidine               "   1089
biotype   1090  O5*   "Uridine                "   1090
biotype   1091  C5*   "Uridine                "   1091
biotype   1092  H5*1  "Uridine                "   1092
biotype   1093  H5*2  "Uridine                "   1093
biotype   1094  C4*   "Uridine                "   1094
biotype   1095  H4*   "Uridine                "   1095
biotype   1096  O4*   "Uridine                "   1096
biotype   1097  C1*   "Uridine                "   1097
biotype   1098  H1*   "Uridine                "   1098
biotype   1099  C3*   "Uridine                "   1099
biotype   1100  H3*   "Uridine                "   1100
biotype   1101  C2*   "Uridine                "   1101
biotype   1102  H2*   "Uridine                "   1102
biotype   1103  O2*   "Uridine                "   1103
biotype   1104  HO*   "Uridine                "   1104
biotype   1105  O3*   "Uridine                "   1105
biotype   1106  N1    "Uridine                "   1106
biotype   1107  C2    "Uridine                "   1107
biotype   1108  N3    "Uridine                "   1108
biotype   1109  C4    "Uridine                "   1109
biotype   1110  C5    "Uridine                "   1110
biotype   1111  C6    "Uridine                "   1111
biotype   1112  O2    "Uridine                "   1112
biotype   1113  H3    "Uridine                "   1113
biotype   1114  O4    "Uridine                "   1114
biotype   1115  H5    "Uridine                "   1115
biotype   1116  H6    "Uridine                "   1116
biotype   1117  O5*   "Deoxyadenosine         "   1117
biotype   1118  C5*   "Deoxyadenosine         "   1118
biotype   1119  H5*1  "Deoxyadenosine         "   1119
biotype   1120  H5*2  "Deoxyadenosine         "   1120
biotype   1121  C4*   "Deoxyadenosine         "   1121
biotype   1122  H4*   "Deoxyadenosine         "   1122
biotype   1123  O4*   "Deoxyadenosine         "   1123
biotype   1124  C1*   "Deoxyadenosine         "   1124
biotype   1125  H1*   "Deoxyadenosine         "   1125
biotype   1126  C3*   "Deoxyadenosine         "   1126
biotype   1127  H3*   "Deoxyadenosine         "   1127
biotype   1128  C2*   "Deoxyadenosine         "   1128
biotype   1129  H2*1  "Deoxyadenosine         "   1129
biotype   1130  H2*2  "Deoxyadenosine         "   1130
biotype   1131  O3*   "Deoxyadenosine         "   1131
biotype   1132  N9    "Deoxyadenosine         "   1132
biotype   1133  C4    "Deoxyadenosine         "   1133
biotype   1134  C5    "Deoxyadenosine         "   1134
biotype   1135  N7    "Deoxyadenosine         "   1135
biotype   1136  C8    "Deoxyadenosine         "   1136
biotype   1137  N3    "Deoxyadenosine         "   1137
biotype   1138  C2    "Deoxyadenosine         "   1138
biotype   1139  N1    "Deoxyadenosine         "   1139
biotype   1140  C6    "Deoxyadenosine         "   1140
biotype   1141  H2    "Deoxyadenosine         "   1141
biotype   1142  N6    "Deoxyadenosine         "   1142
biotype   1143  H61   "Deoxyadenosine         "   1143
biotype   1144  H62   "Deoxyadenosine         "   1144
biotype   1145  H8    "Deoxyadenosine         "   1145
biotype   1146  O5*   "Deoxyguanosine         "   1146
biotype   1147  C5*   "Deoxyguanosine         "   1147
biotype   1148  H5*1  "Deoxyguanosine         "   1148
biotype   1149  H5*2  "Deoxyguanosine         "   1149
biotype   1150  C4*   "Deoxyguanosine         "   1150
biotype   1151  H4*   "Deoxyguanosine         "   1151
biotype   1152  O4*   "Deoxyguanosine         "   1152
biotype   1153  C1*   "Deoxyguanosine         "   1153
biotype   1154  H1*   "Deoxyguanosine         "   1154
biotype   1155  C3*   "Deoxyguanosine         "   1155
biotype   1156  H3*   "Deoxyguanosine         "   1156
biotype   1157  C2*   "Deoxyguanosine         "   1157
biotype   1158  H2*1  "Deoxyguanosine         "   1158
biotype   1159  H2*2  "Deoxyguanosine         "   1159
biotype   1160  O3*   "Deoxyguanosine         "   1160
biotype   1161  N9    "Deoxyguanosine         "   1161
biotype   1162  C4    "Deoxyguanosine         "   1162
biotype   1163  C5    "Deoxyguanosine         "   1163
biotype   1164  N7    "Deoxyguanosine         "   1164
biotype   1165  C8    "Deoxyguanosine         "   1165
biotype   1166  N3    "Deoxyguanosine         "   1166
biotype   1167  C2    "Deoxyguanosine         "   1167
biotype   1168  N1    "Deoxyguanosine         "   1168
biotype   1169  C6    "Deoxyguanosine         "   1169
biotype   1170  H1    "Deoxyguanosine         "   1170
biotype   1171  N2    "Deoxyguanosine         "   1171
biotype   1172  H21   "Deoxyguanosine         "   1172
biotype   1173  H22   "Deoxyguanosine         "   1173
biotype   1174  O6    "Deoxyguanosine         "   1174
biotype   1175  H8    "Deoxyguanosine         "   1175
biotype   1176  O5*   "Deoxycytidine          "   1176
biotype   1177  C5*   "Deoxycytidine          "   1177
biotype   1178  H5*1  "Deoxycytidine          "   1178
biotype   1179  H5*2  "Deoxycytidine          "   1179
biotype   1180  C4*   "Deoxycytidine          "   1180
biotype   1181  H4*   "Deoxycytidine          "   1181
biotype   1182  O4*   "Deoxycytidine          "   1182
biotype   1183  C1*   "Deoxycytidine          "   1183
biotype   1184  H1*   "Deoxycytidine          "   1184
biotype   1185  C3*   "Deoxycytidine          "   1185
biotype   1186  H3*   "Deoxycytidine          "   1186
biotype   1187  C2*   "Deoxycytidine          "   1187
biotype   1188  H2*1  "Deoxycytidine          "   1188
biotype   1189  H2*2  "Deoxycytidine          "   1189
biotype   1190  O3*   "Deoxycytidine          "   1190
biotype   1191  N1    "Deoxycytidine          "   1191
biotype   1192  C2    "Deoxycytidine          "   1192
biotype   1193  N3    "Deoxycytidine          "   1193
biotype   1194  C4    "Deoxycytidine          "   1194
biotype   1195  C5    "Deoxycytidine          "   1195
biotype   1196  C6    "Deoxycytidine          "   1196
biotype   1197  O2    "Deoxycytidine          "   1197
biotype   1198  N4    "Deoxycytidine          "   1198
biotype   1199  H41   "Deoxycytidine          "   1199
biotype   1200  H42   "Deoxycytidine          "   1200
biotype   1201  H5    "Deoxycytidine          "   1201
biotype   1202  H6    "Deoxycytidine          "   1202
biotype   1203  O5*   "Deoxythymidine         "   1203
biotype   1204  C5*   "Deoxythymidine         "   1204
biotype   1205  H5*1  "Deoxythymidine         "   1205
biotype   1206  H5*2  "Deoxythymidine         "   1206
biotype   1207  C4*   "Deoxythymidine         "   1207
biotype   1208  H4*   "Deoxythymidine         "   1208
biotype   1209  O4*   "Deoxythymidine         "   1209
biotype   1210  C1*   "Deoxythymidine         "   1210
biotype   1211  H1*   "Deoxythymidine         "   1211
biotype   1212  C3*   "Deoxythymidine         "   1212
biotype   1213  H3*   "Deoxythymidine         "   1213
biotype   1214  C2*   "Deoxythymidine         "   1214
biotype   1215  H2*1  "Deoxythymidine         "   1215
biotype   1216  H2*2  "Deoxythymidine         "   1216
biotype   1217  O3*   "Deoxythymidine         "   1217
biotype   1218  N1    "Deoxythymidine         "   1218
biotype   1219  C2    "Deoxythymidine         "   1219
biotype   1220  N3    "Deoxythymidine         "   1220
biotype   1221  C4    "Deoxythymidine         "   1221
biotype   1222  C5    "Deoxythymidine         "   1222
biotype   1223  C6    "Deoxythymidine         "   1223
biotype   1224  O2    "Deoxythymidine         "   1224
biotype   1225  H3    "Deoxythymidine         "   1225
biotype   1226  O4    "Deoxythymidine         "   1226
biotype   1227  C7    "Deoxythymidine         "   1227
biotype   1228  H7    "Deoxythymidine         "   1228
biotype   1229  H6    "Deoxythymidine         "   1229
biotype   1230  P     "Phosphodiester RNA     "   1230
biotype   1231  OP    "Phosphodiester RNA     "   1231
biotype   1232  O5*   "5-Hydroxyl RNA        "   1232
biotype   1233  H5T   "5-Hydroxyl RNA        "   1233
biotype   1234  O5*   "5-Monophosphate OS RNA"   1234
biotype   1235  P     "5-Monophosphate P RNA "   1235
biotype   1236  OP    "5-Monophosphate OP RNA"   1236
biotype   1237  O3*   "3-Hydroxyl RNA        "   1237
biotype   1238  H3T   "3-Hydroxyl RNA        "   1238
biotype   1239  O3*   "3-Monophosphate OS RNA"   1239
biotype   1240  P     "3-Monophosphate P RNA "   1240
biotype   1241  OP    "3-Monophosphate OP RNA"   1241
biotype   1242  P     "Phosphodiester DNA     "   1242
biotype   1243  OP    "Phosphodiester DNA     "   1243
biotype   1244  O5*   "5-Hydroxyl DNA        "   1244
biotype   1245  H5T   "5-Hydroxyl DNA        "   1245
biotype   1246  O5*   "5-Monophosphate OS DNA"   1246
biotype   1247  P     "5-Monophosphate P DNA "   1247
biotype   1248  OP    "5-Monophosphate OP DNA"   1248
biotype   1249  O3*   "3-Hydroxyl DNA        "   1249
biotype   1250  H3T   "3-Hydroxyl DNA        "   1250
biotype   1251  O3*   "3-Monophosphate OS DNA"   1251
biotype   1252  P     "3-Monophosphate P DNA "   1252
biotype   1253  OP    "3-Monophosphate OP DNA"   1253
biotype   2001  O     "Water                  "   2001
biotype   2002  H     "Water                  "   2002
biotype   2003  LI    "Lithium Ion            "   2003
biotype   2004  NA    "Sodium Ion             "   2004
biotype   2005  K     "Potassium Ion          "   2005
biotype   2006  RB    "Rubidium Ion           "   2006
biotype   2007  CS    "Cesium Ion             "   2007
biotype   2008  MG    "Magnesium Ion          "   2008
biotype   2009  CA    "Calcium Ion            "   2009
biotype   2010  SR    "Strontium Ion          "   2010
biotype   2011  BA    "Barium Ion             "   2011
biotype   2013  CL    "Chloride Ion           "   2012

bond      1      1   310.00   1.5260
bond      1      2   317.00   1.5220
bond      1      3   317.00   1.5100
bond      1      4   317.00   1.5100
bond      1      5   317.00   1.5040
bond      1     10   317.00   1.4950
bond      1     14   337.00   1.4490
bond      1     18   337.00   1.4750
bond      1     19   337.00   1.4630
bond      1     20   367.00   1.4710
bond      1     22   320.00   1.4100
bond      1     23   320.00   1.4100
bond      1     26   227.00   1.8100
bond      1     27   237.00   1.8100
bond      1     34   340.00   1.0900
bond      1     35   340.00   1.0900
bond      1     36   340.00   1.0900
bond      1     37   340.00   1.0900
bond      1     38   340.00   1.0900
bond      2      3   469.00   1.4090
bond      2      4   410.00   1.4440
bond      2      9   447.00   1.4190
bond      2     14   490.00   1.3350
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charge   1043   0.09720
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charge   1049   0.17440
charge   1050  -0.57090
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charge   1052  -0.63230
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charge   1057  -0.96720
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charge   1060  -0.55970
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charge   1068  -0.35480
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charge   1072   0.06150
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charge   1074   0.09720
charge   1075  -0.61390
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charge   1077  -0.52460
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charge   1079   0.75380
charge   1080  -0.75840
charge   1081   0.81850
charge   1082  -0.52150
charge   1083   0.00530
charge   1084  -0.62520
charge   1085  -0.95300
charge   1086   0.42340
charge   1087   0.42340
charge   1088   0.19280
charge   1089   0.19580
charge   1090  -0.49890
charge   1091   0.05580
charge   1092   0.06790
charge   1093   0.06790
charge   1094   0.10650
charge   1095   0.11740
charge   1096  -0.35480
charge   1097   0.06740
charge   1098   0.18240
charge   1099   0.20220
charge   1100   0.06150
charge   1101   0.06700
charge   1102   0.09720
charge   1103  -0.61390
charge   1104   0.41860
charge   1105  -0.52460
charge   1106   0.04180
charge   1107   0.46870
charge   1108  -0.35490
charge   1109   0.59520
charge   1110  -0.36350
charge   1111  -0.11260
charge   1112  -0.54770
charge   1113   0.31540
charge   1114  -0.57610
charge   1115   0.18110
charge   1116   0.21880
charge   1117  -0.49540
charge   1118  -0.00690
charge   1119   0.07540
charge   1120   0.07540
charge   1121   0.16290
charge   1122   0.11760
charge   1123  -0.36910
charge   1124   0.04310
charge   1125   0.18380
charge   1126   0.07130
charge   1127   0.09850
charge   1128  -0.08540
charge   1129   0.07180
charge   1130   0.07180
charge   1131  -0.52320
charge   1132  -0.02680
charge   1133   0.38000
charge   1134   0.07250
charge   1135  -0.61750
charge   1136   0.16070
charge   1137  -0.74170
charge   1138   0.57160
charge   1139  -0.76240
charge   1140   0.68970
charge   1141   0.05980
charge   1142  -0.91230
charge   1143   0.41670
charge   1144   0.41670
charge   1145   0.18770
charge   1146  -0.49540
charge   1147  -0.00690
charge   1148   0.07540
charge   1149   0.07540
charge   1150   0.16290
charge   1151   0.11760
charge   1152  -0.36910
charge   1153   0.03580
charge   1154   0.17460
charge   1155   0.07130
charge   1156   0.09850
charge   1157  -0.08540
charge   1158   0.07180
charge   1159   0.07180
charge   1160  -0.52320
charge   1161   0.05770
charge   1162   0.18140
charge   1163   0.19910
charge   1164  -0.57250
charge   1165   0.07360
charge   1166  -0.66360
charge   1167   0.74320
charge   1168  -0.50530
charge   1169   0.49180
charge   1170   0.35200
charge   1171  -0.92300
charge   1172   0.42350
charge   1173   0.42350
charge   1174  -0.56990
charge   1175   0.19970
charge   1176  -0.49540
charge   1177  -0.00690
charge   1178   0.07540
charge   1179   0.07540
charge   1180   0.16290
charge   1181   0.11760
charge   1182  -0.36910
charge   1183  -0.01160
charge   1184   0.19630
charge   1185   0.07130
charge   1186   0.09850
charge   1187  -0.08540
charge   1188   0.07180
charge   1189   0.07180
charge   1190  -0.52320
charge   1191  -0.03390
charge   1192   0.79590
charge   1193  -0.77480
charge   1194   0.84390
charge   1195  -0.52220
charge   1196  -0.01830
charge   1197  -0.65480
charge   1198  -0.97730
charge   1199   0.43140
charge   1200   0.43140
charge   1201   0.18630
charge   1202   0.22930
charge   1203  -0.49540
charge   1204  -0.00690
charge   1205   0.07540
charge   1206   0.07540
charge   1207   0.16290
charge   1208   0.11760
charge   1209  -0.36910
charge   1210   0.06800
charge   1211   0.18040
charge   1212   0.07130
charge   1213   0.09850
charge   1214  -0.08540
charge   1215   0.07180
charge   1216   0.07180
charge   1217  -0.52320
charge   1218  -0.02390
charge   1219   0.56770
charge   1220  -0.43400
charge   1221   0.51940
charge   1222   0.00250
charge   1223  -0.22090
charge   1224  -0.58810
charge   1225   0.34200
charge   1226  -0.55630
charge   1227  -0.22690
charge   1228   0.07700
charge   1229   0.26070
charge   1230   1.16620
charge   1231  -0.77600
charge   1232  -0.62230
charge   1233   0.42950
charge   1234  -0.63280
charge   1235   0.90000
charge   1236  -0.82000
charge   1237  -0.65410
charge   1238   0.43760
charge   1239  -0.65650
charge   1240   0.90000
charge   1241  -0.82000
charge   1242   1.16590
charge   1243  -0.77610
charge   1244  -0.63180
charge   1245   0.44220
charge   1246  -0.62960
charge   1247   0.90000
charge   1248  -0.82000
charge   1249  -0.65490
charge   1250   0.43960
charge   1251  -0.65530
charge   1252   0.90000
charge   1253  -0.82000
charge   2001  -0.83400
charge   2002   0.41700
charge   2003   1.00000
charge   2004   1.00000
charge   2005   1.00000
charge   2006   1.00000
charge   2007   1.00000
charge   2008   2.00000
charge   2009   2.00000
charge   2010   2.00000
charge   2011   2.00000
charge   2012  -1.00000

imptors     1    14     2    24  10.500 180.000 2
imptors     1    25     2    25  10.500 180.000 2
imptors     3     3     2    22   1.100 180.000 2
imptors     4    15     2    24  10.500 180.000 2
imptors     9    15     2    24  10.500 180.000 2
imptors    18    15     2    24  10.500 180.000 2
imptors     3     2     3    33   1.100 180.000 2
imptors     3     3     3     1   1.100 180.000 2
imptors     3     3     3    33   1.100 180.000 2
imptors     3     9     3    33   1.100 180.000 2
imptors     9    17     3    19   1.100 180.000 2
imptors    11     3     3    33   1.100 180.000 2
imptors    15    17     3    19   1.100 180.000 2
imptors    17     4     3    19   1.100 180.000 2
imptors    19    19     3    19  10.500 180.000 2
imptors     2     4     4     1   1.100 180.000 2
imptors     2     4     4    33   1.100 180.000 2
imptors     4     3     4    33   1.100 180.000 2
imptors    18     4     4    39   1.100 180.000 2
imptors    15     6     5     1   1.100 180.000 2
imptors    15     7     5     1   1.100 180.000 2
imptors    16     7     5     1   1.100 180.000 2
imptors     5    16     6    39   1.100 180.000 2
imptors     5    15     7    39   1.100 180.000 2
imptors    10    15     7    39   1.100 180.000 2
imptors    15    15     8    40   1.100 180.000 2
imptors    15    16     8    40   1.100 180.000 2
imptors    16    15     8    40   1.100 180.000 2
imptors     7     9    10     1   1.100 180.000 2
imptors    16    18    12    40   1.100 180.000 2
imptors    17    17    13    40   1.100 180.000 2
imptors     2     1    14     1   1.000 180.000 2
imptors     2     1    14    29   1.000 180.000 2
imptors     2    29    14    29   1.000 180.000 2
imptors     2     2    15    29   1.000 180.000 2
imptors     2     3    15    29   1.000 180.000 2
imptors     5     8    15    29   1.000 180.000 2
imptors     7    11    15    29   1.000 180.000 2
imptors     8     7    15    29   1.000 180.000 2
imptors     4     2    18     1   1.000 180.000 2
imptors    12     9    18     1   1.000 180.000 2
imptors     1     3    19    29   1.000 180.000 2
imptors     3    29    19    29   1.000 180.000 2

torsion     1     1     1     1   0.156   0.000 3
torsion     1     1     1     2   0.156   0.000 3
torsion     1     1     1    14   0.156   0.000 3
torsion     1     1     1    18   0.156   0.000 3
torsion     1     1     1    19   0.156   0.000 3
torsion     1     1     1    20   0.156   0.000 3
torsion     1     1     1    22   0.156   0.000 3
torsion     1     1     1    23   0.156   0.000 3
torsion     1     1     1    26   0.156   0.000 3
torsion     1     1     1    34   0.156   0.000 3
torsion     1     1     1    35   0.156   0.000 3
torsion     1     1     1    36   0.156   0.000 3
torsion     1     1     1    38   0.156   0.000 3
torsion     2     1     1     2   0.156   0.000 3
torsion     2     1     1     3   0.156   0.000 3
torsion     2     1     1     5   0.156   0.000 3
torsion     2     1     1    10   0.156   0.000 3
torsion     2     1     1    14   0.156   0.000 3
torsion     2     1     1    20   0.156   0.000 3
torsion     2     1     1    22   0.156   0.000 3
torsion     2     1     1    26   0.156   0.000 3
torsion     2     1     1    27   0.156   0.000 3
torsion     2     1     1    34   0.156   0.000 3
torsion     2     1     1    35   0.156   0.000 3
torsion     2     1     1    38   0.156   0.000 3
torsion     3     1     1    14   0.156   0.000 3
torsion     3     1     1    20   0.156   0.000 3
torsion     3     1     1    35   0.156   0.000 3
torsion     3     1     1    38   0.156   0.000 3
torsion     5     1     1    14   0.156   0.000 3
torsion     5     1     1    20   0.156   0.000 3
torsion     5     1     1    35   0.156   0.000 3
torsion     5     1     1    38   0.156   0.000 3
torsion    10     1     1    14   0.156   0.000 3
torsion    10     1     1    20   0.156   0.000 3
torsion    10     1     1    35   0.156   0.000 3
torsion    10     1     1    38   0.156   0.000 3
torsion    14     1     1    22   0.156   0.000 3
torsion    14     1     1    26   0.156   0.000 3
torsion    14     1     1    27   0.156   0.000 3
torsion    14     1     1    34   0.156   0.000 3
torsion    14     1     1    35   0.156   0.000 3
torsion    18     1     1    22   0.156   0.000 3
torsion    18     1     1    34   0.156   0.000 3
torsion    18     1     1    35   0.156   0.000 3
torsion    19     1     1    34   0.156   0.000 3
torsion    20     1     1    22   0.156   0.000 3
torsion    20     1     1    26   0.156   0.000 3
torsion    20     1     1    27   0.156   0.000 3
torsion    20     1     1    34   0.156   0.000 3
torsion    20     1     1    35   0.156   0.000 3
torsion    22     1     1    22   1.000   0.000 2   0.144   0.000 3
torsion    22     1     1    23   1.000   0.000 2   0.144   0.000 3
torsion    22     1     1    34   0.156   0.000 3
torsion    22     1     1    35   0.156   0.000 3
torsion    22     1     1    36   0.156   0.000 3
torsion    22     1     1    38   0.156   0.000 3
torsion    23     1     1    23   1.000   0.000 2   0.144   0.000 3
torsion    23     1     1    34   0.156   0.000 3
torsion    23     1     1    35   0.156   0.000 3
torsion    26     1     1    34   0.156   0.000 3
torsion    26     1     1    35   0.156   0.000 3
torsion    26     1     1    38   0.156   0.000 3
torsion    27     1     1    35   0.156   0.000 3
torsion    27     1     1    38   0.156   0.000 3
torsion    34     1     1    34   0.156   0.000 3
torsion    34     1     1    35   0.156   0.000 3
torsion    34     1     1    36   0.156   0.000 3
torsion    34     1     1    38   0.156   0.000 3
torsion    35     1     1    35   0.156   0.000 3
torsion    35     1     1    36   0.156   0.000 3
torsion    35     1     1    38   0.156   0.000 3
torsion     1     1     2    14   0.070   0.000 2   0.100   0.000 4
torsion     1     1     2    24   0.000   0.000 1
torsion     1     1     2    25   0.000   0.000 1
torsion    14     1     2    14   0.750 180.000 1   1.350 180.000 2   0.400 180.000 4
torsion    14     1     2    24   0.000   0.000 1
torsion    14     1     2    25   0.000   0.000 1
torsion    20     1     2    14   0.000   0.000 1
torsion    20     1     2    24   0.000   0.000 1
torsion    20     1     2    25   0.000   0.000 1
torsion    34     1     2    14   0.000   0.000 1
torsion    34     1     2    24   0.000   0.000 1
torsion    34     1     2    25   0.000   0.000 1
torsion    35     1     2    14   0.000   0.000 1
torsion    35     1     2    24   0.000   0.000 1
torsion    35     1     2    25   0.000   0.000 1
torsion     1     1     3     3   0.000   0.000 1
torsion    34     1     3     3   0.000   0.000 1
torsion    34     1     4     2   0.000   0.000 1
torsion    34     1     4     4   0.000   0.000 1
torsion     1     1     5     6   0.000   0.000 1
torsion     1     1     5     7   0.000   0.000 1
torsion     1     1     5    15   0.000   0.000 1
torsion     1     1     5    16   0.000   0.000 1
torsion    34     1     5     6   0.000   0.000 1
torsion    34     1     5     7   0.000   0.000 1
torsion    34     1     5    15   0.000   0.000 1
torsion    34     1     5    16   0.000   0.000 1
torsion     1     1    10     7   0.000   0.000 1
torsion     1     1    10     9   0.000   0.000 1
torsion    34     1    10     7   0.000   0.000 1
torsion    34     1    10     9   0.000   0.000 1
torsion     1     1    14     1   0.000   0.000 1
torsion     1     1    14     2   0.530   0.000 1   0.150 180.000 3   0.500 180.000 4
torsion     1     1    14    29   0.000   0.000 1
torsion     2     1    14     1   0.000   0.000 1
torsion     2     1    14     2   0.200 180.000 2
torsion     2     1    14    29   0.000   0.000 1
torsion    35     1    14     1   0.000   0.000 1
torsion    35     1    14     2   0.000   0.000 1
torsion    35     1    14    29   0.000   0.000 1
torsion     1     1    18     2   0.000   0.000 1
torsion     1     1    18     4   0.000   0.000 1
torsion     1     1    18     9   0.000   0.000 1
torsion     1     1    18    12   0.000   0.000 1
torsion    23     1    18     2   0.000   0.000 1
torsion    23     1    18     4   2.500   0.000 1   0.500 180.000 2
torsion    23     1    18     9   0.000   0.000 1
torsion    23     1    18    12   2.500   0.000 1   0.500 180.000 2
torsion    36     1    18     2   0.000   0.000 1
torsion    36     1    18     4   0.000   0.000 1
torsion    36     1    18     9   0.000   0.000 1
torsion    36     1    18    12   0.000   0.000 1
torsion     1     1    19     3   0.000   0.000 1
torsion     1     1    19    29   0.000   0.000 1
torsion    35     1    19     3   0.000   0.000 1
torsion    35     1    19    29   0.000   0.000 1
torsion     1     1    20     1   0.156   0.000 3
torsion     1     1    20    29   0.156   0.000 3
torsion     2     1    20     1   0.156   0.000 3
torsion     2     1    20    29   0.156   0.000 3
torsion    35     1    20     1   0.156   0.000 3
torsion    35     1    20    29   0.156   0.000 3
torsion    38     1    20     1   0.156   0.000 3
torsion    38     1    20    29   0.156   0.000 3
torsion     1     1    22    31   0.167   0.000 3
torsion    35     1    22    31   0.167   0.000 3
torsion     1     1    23     1   0.100 180.000 2   0.383   0.000 3
torsion     1     1    23    28   0.383   0.000 3
torsion    18     1    23     1   0.383   0.000 3
torsion    35     1    23     1   0.383   0.000 3
torsion    35     1    23    28   0.383   0.000 3
torsion    36     1    23     1   0.383   0.000 3
torsion     1     1    26     1   0.333   0.000 3
torsion     1     1    26    26   0.333   0.000 3
torsion    35     1    26     1   0.333   0.000 3
torsion    35     1    26    26   0.333   0.000 3
torsion     1     1    27    32   0.250   0.000 3
torsion    35     1    27    32   0.250   0.000 3
torsion     3     2     3     3   3.625 180.000 2
torsion     3     2     3    33   3.625 180.000 2
torsion    22     2     3     3   3.625 180.000 2
torsion    22     2     3    33   3.625 180.000 2
torsion    15     2     4     1   2.175 180.000 2
torsion    15     2     4     4   2.175 180.000 2
torsion    15     2     4    33   2.175 180.000 2
torsion    24     2     4     1   2.175 180.000 2
torsion    24     2     4     4   2.175 180.000 2
torsion    24     2     4    33   2.175 180.000 2
torsion    15     2     9     9   3.000 180.000 2
torsion    15     2     9    16   3.000 180.000 2
torsion    24     2     9     9   3.000 180.000 2
torsion    24     2     9    16   3.000 180.000 2
torsion     1     2    14     1   2.500 180.000 2
torsion     1     2    14    29   2.500 180.000 2
torsion    24     2    14     1   2.500 180.000 2
torsion    24     2    14    29   2.000   0.000 1   2.500 180.000 2
torsion     4     2    15     2   1.350 180.000 2
torsion     4     2    15    29   1.350 180.000 2
torsion     9     2    15     3   1.350 180.000 2
torsion     9     2    15    29   1.350 180.000 2
torsion    18     2    15     2   1.350 180.000 2
torsion    18     2    15    29   1.350 180.000 2
torsion    24     2    15     2   1.350 180.000 2
torsion    24     2    15     3   1.350 180.000 2
torsion    24     2    15    29   1.350 180.000 2
torsion    18     2    17     3   4.000 180.000 2
torsion    24     2    17     3   4.000 180.000 2
torsion    15     2    18     1   1.450 180.000 2
torsion    15     2    18     4   1.450 180.000 2
torsion    17     2    18     1   1.450 180.000 2
torsion    17     2    18     4   1.450 180.000 2
torsion    24     2    18     1   1.450 180.000 2
torsion    24     2    18     4   1.450 180.000 2
torsion     3     2    22    31   0.900 180.000 2
torsion     1     3     3     3   3.625 180.000 2
torsion     1     3     3    33   3.625 180.000 2
torsion     2     3     3     3   3.625 180.000 2
torsion     2     3     3    33   3.625 180.000 2
torsion     3     3     3     3   3.625 180.000 2
torsion     3     3     3     9   3.625 180.000 2
torsion     3     3     3    11   3.625 180.000 2
torsion     3     3     3    33   3.625 180.000 2
torsion     9     3     3    33   3.625 180.000 2
torsion    11     3     3    33   3.625 180.000 2
torsion    33     3     3    33   3.625 180.000 2
torsion    17     3     4     4   2.550 180.000 2
torsion    17     3     4    33   2.550 180.000 2
torsion    19     3     4     4   2.550 180.000 2
torsion    19     3     4    33   2.550 180.000 2
torsion     3     3     9    10   3.500 180.000 2
torsion     3     3     9    11   3.500 180.000 2
torsion    17     3     9     9   3.500 180.000 2
torsion    17     3     9    16   3.500 180.000 2
torsion    19     3     9     9   3.500 180.000 2
torsion    19     3     9    16   3.500 180.000 2
torsion    33     3     9    10   3.500 180.000 2
torsion    33     3     9    11   3.500 180.000 2
torsion     3     3    11     9   3.625 180.000 2
torsion     3     3    11    15   3.625 180.000 2
torsion    33     3    11     9   3.625 180.000 2
torsion    33     3    11    15   3.625 180.000 2
torsion    17     3    15     2   1.500 180.000 2
torsion    17     3    15    29   1.500 180.000 2
torsion    19     3    15     2   1.500 180.000 2
torsion    19     3    15    29   1.500 180.000 2
torsion     4     3    17     2   4.800 180.000 2
torsion     9     3    17    13   4.800 180.000 2
torsion    15     3    17     9   4.800 180.000 2
torsion    19     3    17     2   4.800 180.000 2
torsion    19     3    17     9   4.800 180.000 2
torsion    19     3    17    13   4.800 180.000 2
torsion     4     3    19    29   2.400 180.000 2
torsion     9     3    19    29   2.400 180.000 2
torsion    15     3    19    29   2.400 180.000 2
torsion    17     3    19    29   2.400 180.000 2
torsion    19     3    19     1   2.400 180.000 2
torsion    19     3    19    29   2.400 180.000 2
torsion     1     4     4    18   6.650 180.000 2
torsion     1     4     4    39   6.650 180.000 2
torsion     2     4     4    18   6.650 180.000 2
torsion     2     4     4    39   6.650 180.000 2
torsion     3     4     4    18   6.650 180.000 2
torsion     3     4     4    39   6.650 180.000 2
torsion    18     4     4    33   6.650 180.000 2
torsion    33     4     4    39   6.650 180.000 2
torsion     4     4    18     1   1.850 180.000 2
torsion     4     4    18     2   1.850 180.000 2
torsion    39     4    18     1   1.850 180.000 2
torsion    39     4    18     2   1.850 180.000 2
torsion     1     5     6    16   5.150 180.000 2
torsion     1     5     6    39   5.150 180.000 2
torsion    15     5     6    16   5.150 180.000 2
torsion    15     5     6    39   5.150 180.000 2
torsion     1     5     7    15   5.375 180.000 2
torsion     1     5     7    39   5.375 180.000 2
torsion    15     5     7    15   5.375 180.000 2
torsion    15     5     7    39   5.375 180.000 2
torsion    16     5     7    15   5.375 180.000 2
torsion    16     5     7    39   5.375 180.000 2
torsion     1     5    15     8   1.400 180.000 2
torsion     1     5    15    29   1.400 180.000 2
torsion     6     5    15     8   1.400 180.000 2
torsion     6     5    15    29   1.400 180.000 2
torsion     7     5    15     8   1.400 180.000 2
torsion     7     5    15    29   1.400 180.000 2
torsion     1     5    16     8   2.400 180.000 2
torsion     7     5    16     8   2.400 180.000 2
torsion     5     6    16     8   2.400 180.000 2
torsion    39     6    16     8   2.400 180.000 2
torsion    15     7    10     1   6.525 180.000 2
torsion    15     7    10     9   6.525 180.000 2
torsion    39     7    10     1   6.525 180.000 2
torsion    39     7    10     9   6.525 180.000 2
torsion     5     7    15     8   1.500 180.000 2
torsion     5     7    15    29   1.500 180.000 2
torsion    10     7    15    11   1.500 180.000 2
torsion    10     7    15    29   1.500 180.000 2
torsion    39     7    15     8   1.500 180.000 2
torsion    39     7    15    11   1.500 180.000 2
torsion    39     7    15    29   1.500 180.000 2
torsion    15     8    15     5   2.325 180.000 2
torsion    15     8    15     7   2.325 180.000 2
torsion    15     8    15    29   2.325 180.000 2
torsion    16     8    15     5   2.325 180.000 2
torsion    16     8    15     7   2.325 180.000 2
torsion    16     8    15    29   2.325 180.000 2
torsion    40     8    15     5   2.325 180.000 2
torsion    40     8    15     7   2.325 180.000 2
torsion    40     8    15    29   2.325 180.000 2
torsion    15     8    16     5   5.000 180.000 2
torsion    15     8    16     6   5.000 180.000 2
torsion    40     8    16     5   5.000 180.000 2
torsion    40     8    16     6   5.000 180.000 2
torsion     2     9     9    17   5.450 180.000 2
torsion     2     9     9    18   5.450 180.000 2
torsion     3     9     9    17   5.450 180.000 2
torsion     3     9     9    18   5.450 180.000 2
torsion    16     9     9    17   5.450 180.000 2
torsion    16     9     9    18   5.450 180.000 2
torsion     3     9    10     1   1.675 180.000 2
torsion     3     9    10     7   1.675 180.000 2
torsion    11     9    10     1   1.675 180.000 2
torsion    11     9    10     7   1.675 180.000 2
torsion     3     9    11     3   3.000 180.000 2
torsion     3     9    11    15   3.000 180.000 2
torsion    10     9    11     3   3.000 180.000 2
torsion    10     9    11    15   3.000 180.000 2
torsion     2     9    16    12   2.550 180.000 2
torsion     3     9    16    12   2.550 180.000 2
torsion     9     9    16    12   2.550 180.000 2
torsion     9     9    17     3   4.150 180.000 2
torsion     9     9    17    13   4.150 180.000 2
torsion    18     9    17     3   4.150 180.000 2
torsion    18     9    17    13   4.150 180.000 2
torsion     9     9    18     1   1.650 180.000 2
torsion     9     9    18    12   1.650 180.000 2
torsion    17     9    18     1   1.650 180.000 2
torsion    17     9    18    12   1.650 180.000 2
torsion     3    11    15     7   1.525 180.000 2
torsion     3    11    15    29   1.525 180.000 2
torsion     9    11    15     7   1.525 180.000 2
torsion     9    11    15    29   1.525 180.000 2
torsion    18    12    16     9  10.000 180.000 2
torsion    40    12    16     9  10.000 180.000 2
torsion    16    12    18     1   1.700 180.000 2
torsion    16    12    18     9   1.700 180.000 2
torsion    40    12    18     1   1.700 180.000 2
torsion    40    12    18     9   1.700 180.000 2
torsion    17    13    17     3   6.800 180.000 2
torsion    17    13    17     9   6.800 180.000 2
torsion    40    13    17     3   6.800 180.000 2
torsion    40    13    17     9   6.800 180.000 2
torsion    31    22    28    23   0.250   0.000 3
torsion    31    22    28    25   0.250   0.000 3
torsion     1    23    28    22   1.200   0.000 2   0.250   0.000 3
torsion     1    23    28    23   1.200   0.000 2   0.250   0.000 3
torsion     1    23    28    25   0.250   0.000 3
torsion     1    26    26     1   3.500   0.000 2   0.600   0.000 3

vdw      0  0.000000000  0.000000000
vdw      1  1.908000000  0.109400000
vdw      2  1.908000000  0.086000000
vdw      3  1.908000000  0.086000000
vdw      4  1.908000000  0.086000000
vdw      5  1.908000000  0.086000000
vdw      6  1.908000000  0.086000000
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  1.824000000  0.170000000
vdw     15  1.824000000  0.170000000
vdw     16  1.824000000  0.170000000
vdw     17  1.824000000  0.170000000
vdw     18  1.824000000  0.170000000
vdw     19  1.824000000  0.170000000
vdw     20  1.875000000  0.170000000
vdw     21  1.768300000  0.152000000
vdw     22  1.721000000  0.210400000
vdw     23  1.683700000  0.170000000
vdw     24  1.661200000  0.210000000
vdw     25  1.661200000  0.210000000
vdw     26  2.000000000  0.250000000
vdw     27  2.000000000  0.250000000
vdw     28  2.100000000  0.200000000
vdw     29  0.600000000  0.015700000
vdw     30  0.000000000  0.000000000
vdw     31  0.000000000  0.000000000
vdw     32  0.600000000  0.015700000
vdw     33  1.459000000  0.015000000
vdw     34  1.487000000  0.015700000
vdw     35  1.387000000  0.015700000
vdw     36  1.287000000  0.015700000
vdw     37  1.187000000  0.015700000
vdw     38  1.100000000  0.015700000
vdw     39  1.409000000  0.015000000
vdw     40  1.359000000  0.015000000
vdw     41  1.137100000  0.018279000
vdw     42  1.867800000  0.002772000
vdw     43  2.657600000  0.000328000
vdw     44  2.955800000  0.000171000
vdw     45  3.395100000  0.000081000
vdw     46  0.786700000  0.875044000
vdw     47  1.326000000  0.449657000
vdw     48  1.741200000  0.118226000
vdw     49  2.124100000  0.047096000
vdw     50  2.470000000  0.100000000

