NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
580745 2ms0 25100 cing 1-original 2 AMBER distance NOE simple


#  73  RG H8      113  RA H2          5.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1399,2694, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  73  RG H1      113  RA H8          5.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1405,2685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73  RG H8      112  RA H2          5.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1399,2661, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73  RG H1      112  RA H8          5.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1405,2652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 112  RA H2       74  RG H8          4.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2661,1433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 112  RA H2       74  RG H1          4.5    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2661,1439, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 112  RA H8      111  RC H6          4.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2652,2621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 114  RA H8      115  RU H6          4.5    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,2751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 114  RA H8      115  RU H5          5.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,2753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#
#  66  RG H1       80  RU O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1635, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  66  RG N1       80  RU O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1635, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  66  RG O6       80  RU H3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1633, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  66  RG O6       80  RU N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1632, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  67  RU H3       79  RA N1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1213,1601, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  67  RU N3       79  RA N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1601, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  67  RU O4       79  RA H61        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1599, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  67  RU O4       79  RA N6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1211,1598, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  68  RC N3       78  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1566, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  68  RC N3       78  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1244,1565, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  68  RC O2       78  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1569, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  68  RC O2       78  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1568, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  68  RC H41      78  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1242,1564, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  68  RC N4       78  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1564, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  69  RU H3       77  RU O4         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1534, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  69  RU N3       77  RU O4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1273,1534, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  69  RU O2       77  RU H3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1536, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  69  RU O2       77  RU N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1535, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101  RG H1       77  RU O4         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2308,1534, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 101  RG N1       77  RU O4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2307,1534, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101  RG H21      69  RU O4         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2311,1272, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 101  RG N2       69  RU O4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2310,1272, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 100  RG H22      66  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2278,1177, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 100  RG N2       66  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2276,1177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 100  RG H21      80  RU O4         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2277,1631, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 100  RG N2       80  RU O4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2276,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  66  RG H8       66  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  66  RG H8       66  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1187, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  66  RG H3'      66  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1165, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  66  RG H8       67  RU H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1209, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66  RG H8       67  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66  RG H2'      67  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1207, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  66  RG H3'      67  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1207, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  67  RU H6       67  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  67  RU H6       67  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1217, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  67  RU H3'      67  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1199, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  67  RU H4'      67  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1198, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  67  RU H4'      67  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1199, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  67  RU H6       68  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1207,1237, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  67  RU H2'      68  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1237, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  67  RU H3'      68  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1237, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  68  RC H6       68  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  68  RC H6       68  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  68  RC H3'      68  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1229, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  68  RC H4'      68  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1228, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  68  RC H4'      68  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1231,1229, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  68  RC H6       69  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1268, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  68  RC H2'      69  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1250,1268, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  68  RC H3'      69  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1268, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  69  RU H6       69  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1268,1280, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  69  RU H6       69  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1268,1278, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  69  RU H3'      69  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1260, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  69  RU H4'      69  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1259, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  69  RU H4'      69  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  69  RU H6       70  RA H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1268,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69  RU H2'      70  RA H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1298, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  69  RU H3'      70  RA H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1298, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  70  RA H8       70  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1313, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  70  RA H8       70  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1311, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  70  RA H3'      70  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1290, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  70  RA H4'      70  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1289, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70  RA H4'      70  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1290, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70  RA H8       71  RG H8         4.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  70  RA H2'      71  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1313,1331, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70  RA H3'      71  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1331, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70  RA N6       76  RA H2         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1302,1506, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  70  RA H61      76  RA H2         2.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1303,1506, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  71  RG H8       71  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  71  RG H8       71  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  71  RG H3'      71  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1345,1323, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  71  RG H4'      71  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1322, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  71  RG H4'      71  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1323, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  72  RG H8       72  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1381, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  72  RG H8       72  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1379, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72  RG H3'      72  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1357, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  73  RG H8       73  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1415, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  73  RG H8       73  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1399,1413, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  73  RG H3'      73  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1413,1391, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  73  RG H4'      73  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1390, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  74  RG H8       74  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1449, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  74  RG H8       74  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1433,1447, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  74  RG H3'      74  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1447,1425, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  74  RG H4'      74  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1424, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  74  RG H4'      74  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1425, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  75  RU H6       75  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1467,1479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  75  RU H6       75  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1467,1477, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  75  RU H3'      75  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1477,1459, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  76  RA H8       76  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1512, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76  RA H8       76  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1510, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  76  RA H3'      76  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1489, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  76  RA H4'      76  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1488, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  76  RA H4'      76  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1491,1489, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  76  RA H2       71  RG H1'        7.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1506,1328, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  76  RA H2       77  RU H1'        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1506,1527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76  RA H8       77  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1530, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76  RA H2'      77  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1512,1530, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  76  RA H3'      77  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1510,1530, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  76  RA H8      103  RC H5         4.60    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1497,2368, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  76  RA H8      103  RC H6         6.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1497,2366, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  77  RU H6       77  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1530,1542, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  77  RU H6       77  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1530,1540, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  77  RU H3'      77  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1522, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  77  RU H4'      77  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1524,1521, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  77  RU H4'      77  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1524,1522, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  77  RU H6       78  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1530,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77  RU H2'      78  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1542,1560, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  77  RU H3'      78  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1560, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  78  RG H8       78  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1560,1576, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  78  RG H8       78  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1560,1574, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  78  RG H3'      78  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1552, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  78  RG H4'      78  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1551, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  78  RG H4'      78  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1552, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  78  RG H8       79  RA H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1560,1594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78  RG H2'      79  RA H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1594, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  78  RG H3'      79  RA H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1594, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  79  RA H8       79  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1609, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  79  RA H8       79  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1607, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  79  RA H3'      79  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1607,1586, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  79  RA H4'      79  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1588,1585, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  79  RA H4'      79  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1588,1586, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  79  RA H8       80  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1627, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  79  RA H2'      80  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1609,1627, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  79  RA H3'      80  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1607,1627, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  80  RU H6       80  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1639, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  80  RU H6       80  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1637, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80  RU H3'      80  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1619, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  80  RU H4'      80  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1618, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  80  RU H4'      80  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1621,1619, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  80  RU H6       81  RU H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80  RU H6       81  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80  RU H2'      81  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1657, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  80  RU H3'      81  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1637,1657, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 104  RC N3      120  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2404,2914, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 104  RC N3      120  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2404,2913, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 104  RC O2      120  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2406,2917, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 104  RC O2      120  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2406,2916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 104  RC H41     120  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2402,2912, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 104  RC N4      120  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2401,2912, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105  RC N3      119  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2435,2880, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 105  RC N3      119  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2435,2879, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105  RC O2      119  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2437,2883, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 105  RC O2      119  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2437,2882, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105  RC H41     119  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2433,2878, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 105  RC N4      119  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2432,2878, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106  RG H1      118  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2465,2850, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 106  RG N1      118  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2464,2850, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106  RG H21     118  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2468,2852, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 106  RG N2      118  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2467,2852, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106  RG O6      118  RC H41        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2848, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 106  RG O6      118  RC N4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2463,2847, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107  RG H1      117  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2499,2819, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 107  RG N1      117  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2498,2819, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107  RG H21     117  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2502,2821, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 107  RG N2      117  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2501,2821, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107  RG O6      117  RC H41        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2497,2817, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 107  RG O6      117  RC N4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2497,2816, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108  RG H1      116  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2533,2788, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 108  RG N1      116  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2532,2788, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108  RG H21     116  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2536,2790, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 108  RG N2      116  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2535,2790, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108  RG O6      116  RC H41        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2531,2786, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 108  RG O6      116  RC N4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2531,2785, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 109  RU O2      113  RA H62        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2569,2691, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 109  RU O2      113  RA N6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2569,2689, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 109  RU H3      113  RA N7         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2567,2686, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
# 109  RU N3      113  RA N7         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2566,2686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 104  RC H6      104  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2410, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 104  RC H6      104  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2408, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 104  RC H3'     104  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2408,2389, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 104  RC H4'     104  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2391,2388, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 104  RC H4'     104  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2391,2389, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 104  RC H6      105  RC H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2430, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104  RC H6      105  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2397,2428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104  RC H2'     105  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2410,2428, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 104  RC H3'     105  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2408,2428, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 105  RC H6      105  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2428,2441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 105  RC H6      105  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2428,2439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105  RC H3'     105  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2439,2420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 105  RC H4'     105  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2419, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 105  RC H4'     105  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2422,2420, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 105  RC H6      106  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2428,2459, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105  RC H2'     106  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2441,2459, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 105  RC H3'     106  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2439,2459, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 106  RG H8      106  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2459,2475, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 106  RG H8      106  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2459,2473, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106  RG H3'     106  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2473,2451, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 106  RG H4'     106  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2453,2450, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 106  RG H4'     106  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2453,2451, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 106  RG H8      107  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2459,2493, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106  RG H2'     107  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2475,2493, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 106  RG H3'     107  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2473,2493, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107  RG H8      107  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2493,2509, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 107  RG H8      107  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2493,2507, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107  RG H3'     107  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2507,2485, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 107  RG H4'     107  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2484, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 107  RG H4'     107  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2487,2485, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 107  RG H8      108  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2493,2527, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107  RG H2'     108  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2509,2527, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 107  RG H3'     108  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2507,2527, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 108  RG H8      108  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2527,2543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 108  RG H8      108  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2527,2541, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108  RG H3'     108  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2541,2519, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 108  RG H4'     108  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2521,2518, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 108  RG H4'     108  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2521,2519, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 108  RG H8      109  RU H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2527,2563, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 108  RG H8      109  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2527,2561, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 108  RG H2'     109  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2543,2561, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 108  RG H3'     109  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2541,2561, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109  RU H6      109  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2561,2573, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 109  RU H6      109  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2561,2571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 109  RU H3'     109  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2571,2553, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 109  RU H4'     109  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2555,2552, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 109  RU H4'     109  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2555,2553, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 110  RU H6      110  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2591,2603, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 110  RU H6      110  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2591,2601, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 110  RU H3'     110  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2601,2583, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 110  RU H4'     110  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2585,2582, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 110  RU H4'     110  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2585,2583, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 111  RC H6      111  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2621,2634, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 111  RC H6      111  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2621,2632, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 111  RC H3'     111  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2632,2613, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 111  RC H4'     111  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2615,2612, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 111  RC H4'     111  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2615,2613, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 112  RA H8      112  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2652,2667, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 112  RA H8      112  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2652,2665, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 112  RA H3'     112  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2665,2644, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 112  RA H4'     112  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2646,2643, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 112  RA H4'     112  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2646,2644, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 113  RA H8      113  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2685,2700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 113  RA H8      113  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2685,2698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 113  RA H3'     113  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2698,2677, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 113  RA H4'     113  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2679,2676, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 113  RA H4'     113  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2679,2677, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 113  RA H8      116  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2685,2781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 113  RA H2'     116  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2700,2781, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 113  RA H3'     116  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2698,2781, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 113  RA H2      116  RC H1'        5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2694,2778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 114  RA H8      114  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,2733, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 114  RA H8      114  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,2731, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 114  RA H3'     114  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2731,2710, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 114  RA H4'     114  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2712,2709, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 114  RA H4'     114  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2712,2710, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 114  RA H8       71  RG H2'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,1347, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 114  RA H8       71  RG H3'        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,1345, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 114  RA H2'     115  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2733,2751, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 114  RA H3'     115  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2731,2751, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 114  RA H8      115  RU H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,2753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 114  RA H8      115  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2718,2751, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 115  RU H6      115  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2751,2763, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 115  RU H6      115  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2751,2761, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 115  RU H3'     115  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2761,2743, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 115  RU H4'     115  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2745,2742, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 115  RU H4'     115  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2745,2743, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 116  RC H6      116  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2781,2794, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 116  RC H6      116  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2781,2792, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 116  RC H3'     116  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2792,2773, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 116  RC H4'     116  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2775,2772, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 116  RC H4'     116  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2775,2773, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 116  RC H6      117  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2781,2812, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 116  RC H2'     117  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2794,2812, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 116  RC H3'     117  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2792,2812, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 117  RC H6      117  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2812,2825, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 117  RC H6      117  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2812,2823, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 117  RC H3'     117  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2823,2804, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 117  RC H4'     117  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2806,2803, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 117  RC H4'     117  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2806,2804, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 117  RC H6      118  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2812,2843, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117  RC H2'     118  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2825,2843, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 117  RC H3'     118  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2823,2843, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 118  RC H6      118  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2843,2856, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 118  RC H6      118  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2843,2854, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 118  RC H3'     118  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2854,2835, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 118  RC H4'     118  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2837,2834, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 118  RC H4'     118  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2837,2835, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 118  RC H6      119  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2843,2874, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 118  RC H2'     119  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2856,2874, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 118  RC H3'     119  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2854,2874, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 119  RG H8      119  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2874,2890, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 119  RG H8      119  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2874,2888, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 119  RG H3'     119  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2888,2866, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 119  RG H4'     119  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2868,2865, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 119  RG H4'     119  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2868,2866, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 119  RG H8      120  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2874,2908, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119  RG H2'     120  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2890,2908, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 119  RG H3'     120  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2888,2908, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 120  RG H8      120  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2908,2924, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 120  RG H8      120  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2908,2922, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 120  RG H3'     120  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2922,2900, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 120  RG H4'     120  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2902,2899, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 120  RG H4'     120  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2902,2900, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  73  RG H21     110  RU O4         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1408,2595, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  73  RG N2      110  RU O4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1407,2595, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  74  RG H1      111  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1439,2628, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  74  RG N1      111  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1438,2628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  74  RG H21     111  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1442,2630, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  74  RG N2      111  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1441,2630, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  74  RG O6      111  RC H41        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1437,2626, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  74  RG O6      111  RC N4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1437,2625, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  71  RG H21     103  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1340,2373, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  71  RG N2      103  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1339,2373, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  71  RG H1      103  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1337,2375, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  71  RG N1      103  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1336,2375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57  RG H1      127  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 891,3145, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  57  RG N1      127  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 890,3145, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57  RG H21     127  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 894,3147, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  57  RG N2      127  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 893,3147, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57  RG O6      127  RC H41        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 889,3143, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  57  RG O6      127  RC N4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 889,3142, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58  RG H1      126  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 925,3114, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  58  RG N1      126  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 924,3114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58  RG H21     126  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 928,3116, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  58  RG N2      126  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 927,3116, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58  RG O6      126  RC H41        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 923,3112, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  58  RG O6      126  RC N4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 923,3111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59  RC N3      125  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 960,3079, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  59  RC N3      125  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 960,3078, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59  RC O2      125  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 962,3082, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  59  RC O2      125  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 962,3081, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59  RC H41     125  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 958,3077, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  59  RC N4      125  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 957,3077, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  60  RU H3      124  RA N1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 990,3047, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  60  RU N3      124  RA N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 989,3047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  60  RU O4      124  RA H61        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 988,3045, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  60  RU O4      124  RA N6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 988,3044, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61  RC N3      123  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1021,3012, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  61  RC N3      123  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1021,3011, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61  RC O2      123  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1023,3015, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  61  RC O2      123  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1023,3014, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61  RC H41     123  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1019,3010, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  61  RC N4      123  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1018,3010, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57  RG H8       57  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 901, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  57  RG H8       57  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 899, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  57  RG H3'      57  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 877, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  57  RG H4'      57  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 876, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  57  RG H4'      57  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 877, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  57  RG H8       58  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57  RG H2'      58  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 919, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  57  RG H3'      58  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 899, 919, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  58  RG H8       58  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 935, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  58  RG H8       58  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 933, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58  RG H3'      58  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 911, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  58  RG H4'      58  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 910, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  58  RG H4'      58  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 913, 911, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  58  RG H8       59  RC H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58  RG H8       59  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 953, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58  RG H2'      59  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 935, 953, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  58  RG H3'      59  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 933, 953, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  59  RC H6       59  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 966, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  59  RC H6       59  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 964, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59  RC H3'      59  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 945, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  59  RC H4'      59  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 944, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  59  RC H4'      59  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 945, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  59  RC H6       60  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59  RC H2'      60  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 966, 984, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  59  RC H3'      60  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 984, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  60  RU H6       60  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 996, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  60  RU H6       60  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 994, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  60  RU H3'      60  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 994, 976, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  60  RU H4'      60  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 975, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  60  RU H4'      60  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 978, 976, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  60  RU H6       61  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1014, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  60  RU H2'      61  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1014, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  60  RU H3'      61  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1014, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  61  RC H6       61  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  61  RC H6       61  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61  RC H3'      61  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1006, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  61  RC H4'      61  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1005, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  61  RC H4'      61  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1006, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 121  RA H8      121  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2942,2957, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 121  RA H8      121  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2942,2955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 121  RA H3'     121  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2955,2934, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 121  RA H4'     121  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2936,2933, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 121  RA H4'     121  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2936,2934, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 122  RC H6      122  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2975,2988, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 122  RC H6      122  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2975,2986, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 122  RC H3'     122  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2986,2967, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 122  RC H4'     122  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2969,2966, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 122  RC H4'     122  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2969,2967, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 123  RG H8      123  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3006,3022, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 123  RG H8      123  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3006,3020, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 123  RG H3'     123  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3020,2998, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 123  RG H4'     123  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3000,2997, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 123  RG H4'     123  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3000,2998, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 123  RG H8      124  RA H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3006,3040, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 123  RG H2'     124  RA H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3022,3040, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 123  RG H3'     124  RA H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3020,3040, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 124  RA H8      124  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3040,3055, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 124  RA H8      124  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3040,3053, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 124  RA H3'     124  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3053,3032, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 124  RA H4'     124  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3034,3031, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 124  RA H4'     124  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3034,3032, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 124  RA H8      125  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3040,3073, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 124  RA H2'     125  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3055,3073, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 124  RA H3'     125  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3053,3073, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 124  RA H2      125  RG H1'        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3049,3070, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 124  RA H2       61  RC H1'        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3049,1011, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125  RG H8      125  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3073,3089, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 125  RG H8      125  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3073,3087, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 125  RG H3'     125  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3087,3065, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 125  RG H4'     125  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3067,3064, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 125  RG H4'     125  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3067,3065, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 125  RG H8      126  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3073,3107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125  RG H2'     126  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3089,3107, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 125  RG H3'     126  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3087,3107, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 126  RC H6      126  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3107,3120, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 126  RC H6      126  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3107,3118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 126  RC H3'     126  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3118,3099, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 126  RC H4'     126  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3101,3098, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 126  RC H4'     126  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3101,3099, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 126  RC H6      127  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3107,3138, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 126  RC H2'     127  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3120,3138, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 126  RC H3'     127  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3118,3138, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 127  RC H6      127  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3138,3151, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 127  RC H6      127  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3138,3149, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 127  RC H3'     127  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3149,3130, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 127  RC H4'     127  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3132,3129, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 127  RC H4'     127  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3132,3130, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  81  RU H3       99  RA N1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1663,2242, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  81  RU N3       99  RA N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1662,2242, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  81  RU O4       99  RA H61        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1661,2240, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  81  RU O4       99  RA N6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1661,2239, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82  RC N3       98  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1694,2207, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  82  RC N3       98  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1694,2206, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82  RC O2       98  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1696,2210, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  82  RC O2       98  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1696,2209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82  RC H41      98  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1692,2205, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  82  RC N4       98  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1691,2205, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  83  RU H3       97  RA N1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1724,2175, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  83  RU N3       97  RA N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1723,2175, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  83  RU O4       97  RA H61        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1722,2173, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  83  RU O4       97  RA N6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1722,2172, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  84  RC N3       96  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1755,2140, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  84  RC N3       96  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1755,2139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  84  RC O2       96  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2143, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  84  RC O2       96  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1757,2142, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  84  RC H41      96  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1753,2138, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  84  RC N4       96  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1752,2138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  85  RG H1       95  RC N3         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1785,2110, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  85  RG N1       95  RC N3         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1784,2110, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  85  RG H21      95  RC O2         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1788,2112, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  85  RG N2       95  RC O2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1787,2112, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  85  RG O6       95  RC H41        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1783,2108, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  85  RG O6       95  RC N4         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1783,2107, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  86  RC N3       94  RG H1         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1820,2075, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  86  RC N3       94  RG N1         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1820,2074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  86  RC O2       94  RG H21        1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1822,2078, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  86  RC O2       94  RG N2         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1822,2077, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  86  RC H41      94  RG O6         1.89    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1818,2073, r1= 1.30, r2= 1.80, r3= 1.89, r4= 2.39,  &end
#
#  86  RC N4       94  RG O6         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1817,2073, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  81  RU H6       81  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1669, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  81  RU H6       81  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1667, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  81  RU H3'      81  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1667,1649, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  81  RU H4'      81  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1648, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  81  RU H4'      81  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1651,1649, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  81  RU H6       82  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  81  RU H2'      82  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1669,1687, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  81  RU H3'      82  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1667,1687, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  82  RC H6       82  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  82  RC H6       82  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82  RC H3'      82  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1698,1679, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  82  RC H4'      82  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1678, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  82  RC H4'      82  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1679, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  82  RC H6       83  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1718, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82  RC H2'      83  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1700,1718, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  82  RC H3'      83  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1698,1718, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  83  RU H6       83  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1730, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  83  RU H6       83  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  83  RU H3'      83  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1710, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  83  RU H4'      83  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1712,1709, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  83  RU H4'      83  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1712,1710, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  83  RU H6       84  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1718,1748, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83  RU H2'      84  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1748, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  83  RU H3'      84  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1748, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  84  RC H6       84  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1761, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  84  RC H6       84  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1759, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  84  RC H3'      84  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1740, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  84  RC H4'      84  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1739, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  84  RC H4'      84  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1740, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  84  RC H6       85  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1779, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84  RC H2'      85  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1779, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  84  RC H3'      85  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1779, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  85  RG H8       85  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1779,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  85  RG H8       85  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1779,1793, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  85  RG H3'      85  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1793,1771, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  85  RG H4'      85  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1773,1770, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  85  RG H4'      85  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1773,1771, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  85  RG H8       86  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1779,1813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85  RG H2'      86  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1795,1813, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  85  RG H3'      86  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1793,1813, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  86  RC H6       86  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1813,1826, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  86  RC H6       86  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1813,1824, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  86  RC H3'      86  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1805, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  86  RC H4'      86  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1807,1804, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  86  RC H4'      86  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1807,1805, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  86  RC H6       87  RU H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1813,1846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86  RC H6       87  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1813,1844, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86  RC H2'      87  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1844, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  86  RC H3'      87  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1824,1844, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  87  RU H6       87  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1844,1856, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  87  RU H6       87  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1844,1854, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  87  RU H3'      87  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1854,1836, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  87  RU H4'      87  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1838,1835, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  87  RU H4'      87  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1838,1836, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  87  RU H6       88  RU H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1844,1876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87  RU H6       88  RU H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1844,1874, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87  RU H2'      88  RU H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1856,1874, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  87  RU H3'      88  RU H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1854,1874, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  88  RU H6       88  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1874,1886, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  88  RU H6       88  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1874,1884, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  88  RU H3'      88  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1884,1866, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  88  RU H4'      88  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1868,1865, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  88  RU H4'      88  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1868,1866, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  93  RU H6       93  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2051, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  93  RU H6       93  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2049, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  93  RU H3'      93  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2049,2031, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  93  RU H4'      93  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2030, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  93  RU H4'      93  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2031, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  93  RU H6       94  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2039,2069, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93  RU H2'      94  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2051,2069, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  93  RU H3'      94  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2049,2069, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  94  RG H8       94  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2069,2085, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  94  RG H8       94  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2069,2083, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  94  RG H3'      94  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2083,2061, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  94  RG H4'      94  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2060, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  94  RG H4'      94  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2061, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  94  RG H8       95  RC H5         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2069,2105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  94  RG H8       95  RC H6         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2069,2103, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  94  RG H2'      95  RC H6         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2085,2103, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  94  RG H3'      95  RC H6         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2083,2103, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  95  RC H6       95  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2103,2116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  95  RC H6       95  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2103,2114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  95  RC H3'      95  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2114,2095, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  95  RC H4'      95  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2097,2094, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  95  RC H4'      95  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2097,2095, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  95  RC H6       96  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2103,2134, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  95  RC H2'      96  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2116,2134, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  95  RC H3'      96  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2114,2134, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  96  RG H8       96  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2150, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  96  RG H8       96  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2148, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  96  RG H3'      96  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2148,2126, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  96  RG H4'      96  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2125, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  96  RG H4'      96  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2128,2126, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  96  RG H8       97  RA H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2134,2168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96  RG H2'      97  RA H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2150,2168, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  96  RG H3'      97  RA H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2148,2168, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  97  RA H8       97  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2168,2183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  97  RA H8       97  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2168,2181, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  97  RA H3'      97  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2181,2160, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  97  RA H4'      97  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2162,2159, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  97  RA H4'      97  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2162,2160, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  97  RA H8       98  RG H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2168,2201, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97  RA H2'      98  RG H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2183,2201, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  97  RA H3'      98  RG H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2181,2201, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  97  RA H2       98  RG H1'        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2177,2198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97  RA H2       84  RC H1'        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2177,1745, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98  RG H8       98  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2201,2217, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  98  RG H8       98  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2201,2215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  98  RG H3'      98  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2215,2193, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  98  RG H4'      98  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2192, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  98  RG H4'      98  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2193, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  98  RG H8       99  RA H8         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2201,2235, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  98  RG H2'      99  RA H8         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2217,2235, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  98  RG H3'      99  RA H8         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2215,2235, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  99  RA H8       99  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2235,2250, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  99  RA H8       99  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2235,2248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  99  RA H3'      99  RA H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2248,2227, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  99  RA H4'      99  RA H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2229,2226, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  99  RA H4'      99  RA H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2229,2227, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  99  RA H2       82  RC H1'        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2244,1684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 100  RG H8      100  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2268,2284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 100  RG H8      100  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2268,2282, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 100  RG H3'     100  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2282,2260, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 100  RG H4'     100  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2262,2259, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 100  RG H4'     100  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2262,2260, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 101  RG H8      101  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2302,2318, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 101  RG H8      101  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2302,2316, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101  RG H3'     101  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2316,2294, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 101  RG H4'     101  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2296,2293, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 101  RG H4'     101  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2296,2294, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 102  RU H6      102  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2336,2348, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102  RU H6      102  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2336,2346, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 102  RU H3'     102  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2346,2328, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 102  RU H4'     102  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2330,2327, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 102  RU H4'     102  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2330,2328, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 103  RC H6      103  RC H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2379, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 103  RC H6      103  RC H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2366,2377, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 103  RC H3'     103  RC H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2377,2358, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 103  RC H4'     103  RC H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2360,2357, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 103  RC H4'     103  RC H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2360,2358, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  39 CYX SG       26 CYX SG         3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 406, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  39 CYX SG       29 CYX SG         3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 447, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  26 CYX SG       29 CYX SG         3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 447, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  39 CYX SG       34 HID NE2        3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 528, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  26 CYX SG       34 HID NE2        3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 528, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  29 CYX SG       34 HID NE2        3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 528, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  25 GLN N        22 ASP O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 GLN H        22 ASP O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 345, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  33 GLY N        24 ASP O          3.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 381, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  33 GLY H        24 ASP O          2.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 381, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
#  26 CYX N        31 GLU O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 486, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 CYX H        31 GLU O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 486, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  28 TYR H        26 CYX SG         2.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 406, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#  28 TYR N        26 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 406, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  31 GLU H        29 CYX SG         2.55    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 447, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
#  31 GLU N        29 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 447, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  29 CYX H        26 CYX SG         2.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 406, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#  29 CYX N        26 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 440, 406, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  38 ASP N        35 TRP O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 556, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 ASP H        35 TRP O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 556, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 CYX N        36 ALA O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 566, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 CYX H        36 ALA O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 566, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  41 LYS H        39 CYX SG         2.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 608, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#  41 LYS N        39 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 608, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  42 LYS H        39 CYX O          2.20    (#   # Longer due to Proline turn )
 &rst
  ixpk= 0, nxpk= 0, iat= 648, 610, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  42 LYS N        39 CYX O          3.20    (#   # Longer due to Proline turn )
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 610, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  23 ARG O        35 TRP HE1        2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 544, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 ARG O        35 TRP NE1        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 543, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  18 ARG QD       21 LEU QD1         4.6    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 274, 275,
 igr2= 325, 326, 327,
 &end
#
#  18 ARG QB       21 LEU QD1         4.6    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 268, 269,
 igr2= 325, 326, 327,
 &end
#
#  19 SER QB       30 LYS QE          6.3    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 292, 293,
 igr2= 464, 465,
 &end
#
#  20 GLN HA       21 LEU H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 316, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  21 LEU HA       22 ASP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 335, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  21 LEU HA       21 LEU QD2        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 329, 330, 331,
 &end
#
#  21 LEU QD2      22 ASP H          3.80    (#   #LEU 21 QD2 upfield )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 329, 330, 331,
 &end
#
#  21 LEU QD2      23 ARG HA         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 329, 330, 331,
 &end
#
#  21 LEU QD2      25 GLN QB         4.60    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 329, 330, 331,
 igr2= 387, 388,
 &end
#
#  21 LEU QD1      27 ALA HA         5.50    (#   #SD via QB )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 325, 326, 327,
 &end
#
#  21 LEU QD2      27 ALA HA         5.50    (#   #SD via QB )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 329, 330, 331,
 &end
#
#  21 LEU QD1      27 ALA QB         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 325, 326, 327,
 igr2= 414, 415, 416,
 &end
#
#  21 LEU QD2      27 ALA QB         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 329, 330, 331,
 igr2= 414, 415, 416,
 &end
#
#  21 LEU QD2      30 LYS QE         6.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 329, 330, 331,
 igr2= 464, 465,
 &end
#
#  22 ASP HA       23 ARG H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  22 ASP H        25 GLN QB         3.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 387, 388,
 &end
#
#  23 ARG H        24 ASP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 371, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  23 ARG HA       25 GLN H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 ARG HA       35 TRP HE1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 ARG HA       35 TRP HZ2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 ARG QG       35 TRP HZ2        5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 354, 355,
 &end
#
#  23 ARG QD       35 TRP HZ2        5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 357, 358,
 &end
#
#  24 ASP H        25 GLN H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 383, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  24 ASP HA       35 TRP HE1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ASP HA       35 TRP HD1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 542, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 ASP QB       33 GLY H          5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 375, 376,
 &end
#
#  25 GLN HA       26 CYX H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  25 GLN HA       32 LYS HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 GLN HA       33 GLY H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  25 GLN H        35 TRP HE1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 ALA H        26 CYX HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 402, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  26 CYX HA       26 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 405, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  26 CYX H        26 CYX HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  26 CYX HA       28 TYR H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 420, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 CYX HA       35 TRP HA         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 536, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  26 CYX H        32 LYS HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 490, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 CYX HB3      30 LYS H          3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 451, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  26 CYX HB3      31 GLU H          3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 473, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  26 CYX HB3      29 CYX H          3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 441, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  26 CYX HB2      34 HID HD2        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 530, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  26 CYX HA       36 ALA H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 ALA H        28 TYR H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 420, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  27 ALA QB       28 TYR H          5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 414, 415, 416,
 &end
#
#  27 ALA QB       36 ALA QB         4.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 414, 415, 416,
 igr2= 562, 563, 564,
 &end
#
#  27 ALA H        36 ALA QB         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 562, 563, 564,
 &end
#
#  27 ALA HA       30 LYS H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 451, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 ALA HA       30 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 464, 465,
 &end
#
#  28 TYR H        29 CYX H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 441, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  28 TYR H        28 TYR HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  28 TYR H        36 ALA HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  28 TYR H        36 ALA QB         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 562, 563, 564,
 &end
#
#  28 TYR HB2      36 ALA QB         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 562, 563, 564,
 &end
#
#  28 TYR QD       41 LYS QB         5.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 428, 437,
 igr2= 630, 631,
 &end
#
#  28 TYR QE       41 LYS QD         5.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 430, 435,
 igr2= 636, 637,
 &end
#
#  28 TYR QE       41 LYS QE         5.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1= 430, 435,
 igr2= 639, 640,
 &end
#
#  28 TYR QE       42 LYS HA         5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 430, 435,
 &end
#
#  28 TYR QE       43 PRO HD2        5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 430, 435,
 &end
#
#  28 TYR QE       43 PRO HD3        5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 430, 435,
 &end
#
#  28 TYR HD1      42 LYS QG         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 655, 656,
 &end
#
#  28 TYR HD1      42 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 661, 662,
 &end
#
#  28 TYR HE1      42 LYS QG         5.80    (#   # SD via Ha )
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 655, 656,
 &end
#
#  28 TYR HE1      42 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 661, 662,
 &end
#
#  29 CYX H        30 LYS H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 451, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  29 CYX H        28 TYR HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 425, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  29 CYX H        29 CYX HB3        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  29 CYX HB2      31 GLU H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 CYX HA       29 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 446, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  29 CYX HA       29 CYX HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 445, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  29 CYX HB2      41 LYS QD         4.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 636, 637,
 &end
#
#  29 CYX HB3      41 LYS QD         4.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 636, 637,
 &end
#
#  30 LYS H        31 GLU H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 473, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  32 LYS H        31 GLU HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 475, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  31 GLU H        31 GLU HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 477, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  31 GLU HB2      34 HID HE1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 477, 527, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  31 GLU HB3      34 HID HE1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 527, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  33 GLY H        32 LYS HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 490, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  33 GLY H        34 HID H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 517, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  34 HID HA       35 TRP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 534, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  34 HID HA       34 HID HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 521, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  34 HID HA       34 HID HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 522, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  34 HID HD2      34 HID HB2        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 521, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  34 HID HB2      35 TRP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 534, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  34 HID HD2      36 ALA HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 HID HD2      39 CYX HA         3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 604, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  34 HID HD2      39 CYX HB2        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 607, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  34 HID HD2      39 CYX H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 HID HB2      39 CYX HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 HID HB2      38 ASP HB3        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 595, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  34 HID HE1      40 PRO HD2        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 613, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  34 HID HE1      40 PRO HD3        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 614, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  35 TRP H        35 TRP HD1        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 542, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  35 TRP HA       35 TRP HD1        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 542, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  35 TRP HB2      35 TRP HD1        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  35 TRP HA       36 ALA H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 558, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  35 TRP H        38 ASP HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 TRP H        38 ASP HB3        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 595, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 TRP HE3      37 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 581, 582,
 &end
#
#  36 ALA H        37 LYS H          3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 568, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  36 ALA HA       39 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 607, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  36 ALA HA       39 CYX H          3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 602, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  36 ALA QB       37 LYS H          3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 562, 563, 564,
 &end
#
#  37 LYS H        38 ASP H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 590, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  37 LYS HB2      37 LYS H          3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 568, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  37 LYS HB3      37 LYS HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 570, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  37 LYS HA       42 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 661, 662,
 &end
#
#  38 ASP H        39 CYX H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 602, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  38 ASP H        38 ASP HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 594, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  40 PRO HD2      39 CYX HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 604, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  40 PRO HD3      39 CYX HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 604, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  39 CYX H        39 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 607, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  39 CYX HA       39 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 607, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  39 CYX HA       40 PRO HD2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 613, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  39 CYX HA       40 PRO HD3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 614, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  39 CYX QB       42 LYS QG         4.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 607, 606,
 igr2= 655, 656,
 &end
#
#  40 PRO HD2      41 LYS H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 613, 626, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  41 LYS H        42 LYS H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 648, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  42 LYS HA       43 PRO HD2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 671, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  42 LYS HA       43 PRO HD3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 672, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  44 ARG HA       45 GLY H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 708, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  47 ARG HA       48 GLY H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 753, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  48 GLY QA       49 PRO HD2       3.220    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 761, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 755, 756,
 &end
#
#  48 GLY QA       49 PRO HD3       3.220    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 755, 756,
 &end
#
#  49 PRO HA       50 ARG H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 774, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  50 ARG HA       51 PRO HD2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 799, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  50 ARG HA       51 PRO HD3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 800, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  62  RG H8       62  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1061, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  62  RG H8       62  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62  RG H3'      62  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1059,1037, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  63  RU H6       63  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1091, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  63  RU H6       63  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1089, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  63  RU H3'      63  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1089,1071, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  63  RU H4'      63  RU H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1073,1070, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  63  RU H4'      63  RU H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1073,1071, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  64  RU H6       64  RU H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1121, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  64  RU H6       64  RU H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64  RU H3'      64  RU H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1101, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  65  RG H8       65  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1155, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  65  RG H8       65  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  65  RG H3'      65  RG H5"        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1131, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  65  RG O6       27 ALA H          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1143, 410, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  65  RG O6       27 ALA N          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1143, 409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  65  RG O6       36 ALA H          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1143, 558, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  65  RG O6       36 ALA N          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1143, 557, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  65  RG H1       25 GLN O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1145, 398, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  65  RG N1       25 GLN O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1144, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  65  RG H21      25 GLN O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1148, 398, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  65  RG N2       25 GLN O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1147, 398, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  65  RG H22      22 ASP O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1149, 345, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  65  RG O2'      23 ARG HH21       2.00    (#   #Likely )
 &rst
  ixpk= 0, nxpk= 0, iat=1156, 366, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  65  RG O2'      23 ARG NH2        3.00    (#   #Likely )
 &rst
  ixpk= 0, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 366, 367,
 &end
#
#  63  RU O2       42 LYS HZ1        2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1087, 664, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  63  RU O2       42 LYS NZ         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 664, 665, 666,
 &end
#
#  62  RG H1'      30 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 464, 465,
 &end
#
#  62  RG H2'      28 TYR HA         5.00    (#   #was 3.3 )
 &rst
  ixpk= 0, nxpk= 0, iat=1061, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62  RG H2'      28 TYR QD         3.20    (#   #was 4.5 )
 &rst
  ixpk= 0, nxpk= 0, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 428, 437,
 &end
#
#  62  RG H2'      28 TYR QE         3.20    (#   #was 4.5 )
 &rst
  ixpk= 0, nxpk= 0, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 430, 435,
 &end
#
#  62  RG H8       28 TYR QE         5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 430, 435,
 &end
#
#  62  RG H8       29 CYX HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1045, 443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62  RG H8       29 CYX QB         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 446, 445,
 &end
#
#  62  RG H8       41 LYS QE         5.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2= 639, 640,
 &end
#
#  62  RG H8       41 LYS QD         5.80    (#   #SD via QE )
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 636, 637,
 &end
#
#  63  RU H1'      27 ALA QB         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 414, 415, 416,
 &end
#
#  63  RU H4'      27 ALA QB         3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 414, 415, 416,
 &end
#
#  63  RU H1'      36 ALA QB         3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 562, 563, 564,
 &end
#
#  63  RU H1'      28 TYR QB         5.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 424, 425,
 &end
#
#  63  RU H1'      28 TYR HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1076, 422, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  63  RU H1'      28 TYR QD         5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 428, 437,
 &end
#
#  63  RU H6       28 TYR HD1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1079, 428, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  63  RU H5       28 TYR HE1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1081, 430, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  63  RU H1'      42 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 661, 662,
 &end
#
#  64  RU H6       27 ALA QB         3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 414, 415, 416,
 &end
#
#  64  RU H5       27 ALA QB         3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 414, 415, 416,
 &end
#
#  64  RU H6       21 LEU QD1        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 325, 326, 327,
 &end
#
#  64  RU H5       21 LEU QD1        3.30    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 325, 326, 327,
 &end
#
#  64  RU H5       30 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 464, 465,
 &end
#
#  64  RU H5       18 ARG HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1111, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64  RU H5       18 ARG QB         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 268, 269,
 &end
#
#  64  RU H5       18 ARG QG         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 271, 272,
 &end
#
#  65  RG H8       35 TRP HZ3        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1139, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65  RG H8       27 ALA QB         6.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 414, 415, 416,
 &end
#
#  65  RG H8       36 ALA QB         6.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 562, 563, 564,
 &end
#
#  65  RG H8       21 LEU QD1        6.50    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 325, 326, 327,
 &end
#
#  65  RG H1'      21 LEU QD1        4.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 325, 326, 327,
 &end
#
#  65  RG H8       37 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 581, 582,
 &end
#
#  65  RG H2'      35 TRP HZ3        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1155, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65  RG H1'      35 TRP HH2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1136, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65  RG H2'      35 TRP HH2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1155, 549, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  65  RG H1'      23 ARG QD         4.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 357, 358,
 &end
#
# 166 CYX SG      153 CYX SG         3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3763,3561, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 166 CYX SG      156 CYX SG         3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3763,3602, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 153 CYX SG      156 CYX SG         3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3561,3602, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 166 CYX SG      161 HID NE2        3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3763,3683, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 153 CYX SG      161 HID NE2        3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3561,3683, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 156 CYX SG      161 HID NE2        3.85    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3602,3683, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 148 LEU N       145 ARG O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3470,3441, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 148 LEU H       145 ARG O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3471,3441, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 152 GLN N       149 ASP O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3537,3500, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 152 GLN H       149 ASP O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3538,3500, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 160 GLY N       151 ASP O          3.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3664,3536, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 160 GLY H       151 ASP O          2.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3665,3536, r1= 1.30, r2= 1.80, r3= 2.10, r4= 2.60,  &end
#
# 153 CYX N       158 GLU O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3554,3641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 153 CYX H       158 GLU O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3555,3641, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 155 TYR H       153 CYX SG         2.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3575,3561, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 155 TYR N       153 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3574,3561, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 158 GLU H       156 CYX SG         2.55    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3628,3602, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05,  &end
#
# 158 GLU N       156 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3627,3602, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 156 CYX H       153 CYX SG         2.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3596,3561, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 156 CYX N       153 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3595,3561, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 165 ASP N       162 TRP O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3744,3711, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 165 ASP H       162 TRP O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3745,3711, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 166 CYX N       163 ALA O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3756,3721, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 166 CYX H       163 ALA O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3757,3721, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 168 LYS H       166 CYX SG         2.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3781,3763, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 168 LYS N       166 CYX SG         3.65    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3780,3763, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 169 LYS H       166 CYX O         2.220    (#   # Longer due to Proline turn )
 &rst
  ixpk= 0, nxpk= 0, iat=3803,3765, r1= 1.30, r2= 1.80, r3= 2.22, r4= 2.72,  &end
#
# 169 LYS N       166 CYX O         3.220    (#   # Longer due to Proline turn )
 &rst
  ixpk= 0, nxpk= 0, iat=3802,3765, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 150 ARG O       162 TRP HE1        2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3524,3699, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 150 ARG O       162 TRP NE1        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3524,3698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 145 ARG QD      148 LEU QD1         4.6    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=3429,3430,
 igr2=3480,3481,3482,
 &end
#
# 145 ARG QB      148 LEU QD1         4.6    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=3423,3424,
 igr2=3480,3481,3482,
 &end
#
# 146 SER QB      157 LYS QE          6.3    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=3447,3448,
 igr2=3619,3620,
 &end
#
# 147 GLN HA      148 LEU H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3456,3471, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 148 LEU HA      149 ASP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3473,3490, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 148 LEU HA      148 LEU QD2       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3473,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=3484,3485,3486,
 &end
#
# 148 LEU QD2     149 ASP H          3.80    (#   #LEU 221 QD2 upfield )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3490, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=3484,3485,3486,
 &end
#
# 148 LEU QD2     150 ARG HA        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3504, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=3484,3485,3486,
 &end
#
# 148 LEU QD2     152 GLN QB         4.60    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=3484,3485,3486,
 igr2=3542,3543,
 &end
#
# 148 LEU QD1     154 ALA HA        5.250    (#   #SD via QB )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3567, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=3480,3481,3482,
 &end
#
# 148 LEU QD2     154 ALA HA        5.250    (#   #SD via QB )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3567, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=3484,3485,3486,
 &end
#
# 148 LEU QD1     154 ALA QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=3480,3481,3482,
 igr2=3569,3570,3571,
 &end
#
# 148 LEU QD2     154 ALA QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=3484,3485,3486,
 igr2=3569,3570,3571,
 &end
#
# 148 LEU QD2     157 LYS QE        6.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
 igr1=3484,3485,3486,
 igr2=3619,3620,
 &end
#
# 149 ASP HA      150 ARG H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3492,3502, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 149 ASP H       152 GLN QB        3.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3490,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=3542,3543,
 &end
#
# 150 ARG H       151 ASP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3502,3526, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 150 ARG HA      152 GLN H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3504,3538, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 150 ARG HA      162 TRP HE1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3504,3699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 150 ARG HA      162 TRP HZ2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3504,3702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 150 ARG QG      162 TRP HZ2        5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3702, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=3509,3510,
 &end
#
# 150 ARG QD      162 TRP HZ2        5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3702, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=3512,3513,
 &end
#
# 151 ASP H       152 GLN H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3526,3538, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 151 ASP HA      162 TRP HE1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3528,3699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 151 ASP HA      162 TRP HD1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3528,3697, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 151 ASP QB      160 GLY H         5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3665, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=3530,3531,
 &end
#
# 152 GLN HA      153 CYX H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3540,3555, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 152 GLN HA      159 LYS HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3540,3645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 152 GLN HA      160 GLY H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3540,3665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 152 GLN H       162 TRP HE1        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3538,3699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 154 ALA H       153 CYX HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3565,3557, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 153 CYX HA      153 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3557,3560, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 153 CYX H       153 CYX HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3555,3559, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 153 CYX HA      155 TYR H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3557,3575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 153 CYX HA      162 TRP HA        3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3557,3691, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 153 CYX H       159 LYS HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3555,3645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 153 CYX HB3     157 LYS H         3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3559,3606, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 153 CYX HB3     158 GLU H         3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3559,3628, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 153 CYX HB3     156 CYX H         3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3559,3596, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 153 CYX HB2     161 HID HD2       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3560,3685, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 153 CYX HA      163 ALA H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3557,3713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 154 ALA H       155 TYR H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3565,3575, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 154 ALA QB      155 TYR H         5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3575, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=3569,3570,3571,
 &end
#
# 154 ALA QB      163 ALA QB        4.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=3569,3570,3571,
 igr2=3717,3718,3719,
 &end
#
# 154 ALA H       163 ALA QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3565,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=3717,3718,3719,
 &end
#
# 154 ALA HA      157 LYS H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3567,3606, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 154 ALA HA      157 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3567,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3619,3620,
 &end
#
# 155 TYR H       156 CYX H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3575,3596, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 155 TYR H       155 TYR HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3575,3579, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 155 TYR H       163 ALA HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3575,3715, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 155 TYR H       163 ALA QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3575,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=3717,3718,3719,
 &end
#
# 155 TYR HB2     163 ALA QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3579,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=3717,3718,3719,
 &end
#
# 155 TYR QD      168 LYS QB         5.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1=3583,3592,
 igr2=3785,3786,
 &end
#
# 155 TYR QE      168 LYS QD         5.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1=3585,3590,
 igr2=3791,3792,
 &end
#
# 155 TYR QE      168 LYS QE         5.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1=3585,3590,
 igr2=3794,3795,
 &end
#
# 155 TYR QE      169 LYS HA         5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3805, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=3585,3590,
 &end
#
# 155 TYR QE      170 PRO HD2        5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3826, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=3585,3590,
 &end
#
# 155 TYR QE      170 PRO HD3        5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3827, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=3585,3590,
 &end
#
# 155 TYR HD1     169 LYS QG         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3583,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3810,3811,
 &end
#
# 155 TYR HD1     169 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3583,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3816,3817,
 &end
#
# 155 TYR HE1     169 LYS QG         5.80    (#   # SD via Ha )
 &rst
  ixpk= 0, nxpk= 0, iat=3585,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3810,3811,
 &end
#
# 155 TYR HE1     169 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3585,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3816,3817,
 &end
#
# 156 CYX H       157 LYS H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3596,3606, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 156 CYX H       155 TYR HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3596,3580, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 156 CYX H       156 CYX HB3       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3596,3600, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 156 CYX HB2     158 GLU H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3601,3628, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 156 CYX HA      156 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3598,3601, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 156 CYX HA      156 CYX HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3598,3600, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 156 CYX HB2     168 LYS QD         4.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3601,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=3791,3792,
 &end
#
# 156 CYX HB3     168 LYS QD         4.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3600,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=3791,3792,
 &end
#
# 157 LYS H       158 GLU H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3606,3628, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 159 LYS H       158 GLU HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3643,3630, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 158 GLU H       158 GLU HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3628,3632, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 158 GLU HB2     161 HID HE1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3632,3682, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 158 GLU HB3     161 HID HE1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3633,3682, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 160 GLY H       159 LYS HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3665,3645, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 160 GLY H       161 HID H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3665,3672, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 161 HID HA      162 TRP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3674,3689, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 161 HID HA      161 HID HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3674,3676, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 161 HID HA      161 HID HB3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3674,3677, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 161 HID HD2     161 HID HB2       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3685,3676, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 161 HID HB2     162 TRP H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3676,3689, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 161 HID HD2     163 ALA HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3685,3715, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 161 HID HD2     166 CYX HA        3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3685,3759, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 161 HID HD2     166 CYX HB2       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3685,3762, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 161 HID HD2     166 CYX H          5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3685,3757, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 161 HID HB2     166 CYX HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3676,3759, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 161 HID HB2     165 ASP HB3       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3676,3750, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 161 HID HE1     167 PRO HD2       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3682,3768, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 161 HID HE1     167 PRO HD3       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3682,3769, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 162 TRP H       162 TRP HD1       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3689,3697, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 162 TRP HA      162 TRP HD1       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3691,3697, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 162 TRP HB2     162 TRP HD1       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3693,3697, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 162 TRP HA      163 ALA H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3691,3713, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 162 TRP H       165 ASP HB2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3689,3749, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 162 TRP H       165 ASP HB3        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3689,3750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 162 TRP HE3     164 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3708,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3736,3737,
 &end
#
# 163 ALA H       164 LYS H         3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3713,3723, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 163 ALA HA      166 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3715,3762, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 163 ALA HA      166 CYX H         3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3715,3757, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 163 ALA QB      164 LYS H          3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3723, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=3717,3718,3719,
 &end
#
# 164 LYS H       165 ASP H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3723,3745, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 164 LYS HB2     164 LYS H         3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3727,3723, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 164 LYS HB3     164 LYS HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3728,3725, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 164 LYS HA      169 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3725,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3816,3817,
 &end
#
# 165 ASP H       166 CYX H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3745,3757, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 165 ASP H       165 ASP HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3745,3749, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 167 PRO HD2     166 CYX HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3768,3759, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 167 PRO HD3     166 CYX HA         2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3769,3759, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 166 CYX H       166 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3757,3762, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 166 CYX HA      166 CYX HB2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3759,3762, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 166 CYX HA      167 PRO HD2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3759,3768, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 166 CYX HA      167 PRO HD3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3759,3769, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 166 CYX QB      169 LYS QG        4.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=3762,3761,
 igr2=3810,3811,
 &end
#
# 167 PRO HD2     168 LYS H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3768,3781, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 168 LYS H       169 LYS H          2.90    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3781,3803, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 169 LYS HA      170 PRO HD2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3805,3826, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 169 LYS HA      170 PRO HD3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3805,3827, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 171 ARG HA      172 GLY H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3841,3863, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 174 ARG HA      175 GLY H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3886,3908, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 175 GLY QA      176 PRO HD2       3.220    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3916, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=3910,3911,
 &end
#
# 175 GLY QA      176 PRO HD3       3.220    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,3917, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=3910,3911,
 &end
#
# 176 PRO HA      177 ARG H          2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3925,3929, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 177 ARG HA      178 PRO HD2        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3931,3954, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 177 ARG HA      178 PRO HD3        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=3931,3955, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  89  RA H8       89  RA H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  89  RA H8       89  RA H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1917, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90  RG H8       90  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1953, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  90  RG H8       90  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1937,1951, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90  RG H3'      90  RG H5"       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1951,1929, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  90  RG H4'      90  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1928, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  90  RG H4'      90  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1931,1929, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  91  RG H8       91  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1987, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  91  RG H8       91  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1971,1985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  91  RG H3'      91  RG H5"       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1985,1963, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  91  RG H4'      91  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1965,1962, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  91  RG H4'      91  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1965,1963, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  92  RG H8       92  RG H2'        4.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2005,2021, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  92  RG H8       92  RG H3'        3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2005,2019, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92  RG H3'      92  RG H5"       3.230    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2019,1997, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  92  RG H4'      92  RG H5'        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1999,1996, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  92  RG H4'      92  RG H5"        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1999,1997, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  92  RG O6      154 ALA H          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2009,3565, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92  RG O6      154 ALA N          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2009,3564, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92  RG O6      163 ALA H          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2009,3713, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92  RG O6      163 ALA N          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2009,3712, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92  RG H1      152 GLN O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2011,3553, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92  RG N1      152 GLN O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2010,3553, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92  RG H21     152 GLN O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2014,3553, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92  RG N2      152 GLN O          3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2013,3553, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92  RG H22     149 ASP O          2.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2015,3500, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92  RG O2'     150 ARG HH21       2.00    (#   #Likely )
 &rst
  ixpk= 0, nxpk= 0, iat=2022,3521, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92  RG O2'     150 ARG NH2        3.00    (#   #Likely )
 &rst
  ixpk= 0, nxpk= 0, iat=2022,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=3521,3522,
 &end
#
#  90  RG O6      169 LYS NZ         3.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1941,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=3819,3820,3821,
 &end
#
#  89  RA H1'     155 TYR QD          4.5    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1901,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=3583,3592,
 &end
#
#  89  RA H1'     155 TYR QE          5.8    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1901,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3585,3590,
 &end
#
#  89  RA H1'     155 TYR HA          5.0    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1901,3577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  89  RA H8      155 TYR QE          5.1    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=3585,3590,
 &end
#
#  89  RA H2      155 TYR QD          6.8    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1913,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr2=3583,3592,
 &end
#
#  89  RA H2      156 CYX HA          5.5    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1913,3598, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  89  RA H2      156 CYX HB2         5.5    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1913,3601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  89  RA H2      157 LYS QE          5.8    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1913,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3619,3620,
 &end
#
#  89  RA H2      157 LYS QG          4.1    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1913,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=3613,3614,
 &end
#
#  90  RG H1'     154 ALA QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=3569,3570,3571,
 &end
#
#  90  RG H4'     154 ALA QB         3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1931,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=3569,3570,3571,
 &end
#
#  90  RG H1'     163 ALA QB         3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=3717,3718,3719,
 &end
#
#  90  RG H1'     155 TYR QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2=3579,3580,
 &end
#
#  90  RG H1'     155 TYR HA         5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1934,3577, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90  RG H1'     155 TYR QD         5.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=3583,3592,
 &end
#
#  90  RG H8      155 TYR HD1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1937,3583, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  90  RG H8      155 TYR HE1        2.70    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1937,3585, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  90  RG H1'     169 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1934,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3816,3817,
 &end
#
#  91  RG H8      154 ALA QB         3.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1971,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=3569,3570,3571,
 &end
#
#  91  RG H1'     154 ALA QB        5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1968,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=3569,3570,3571,
 &end
#
#  91  RG H1'     148 LEU QD1       5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1968,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=3480,3481,3482,
 &end
#
#  91  RG H8      148 LEU QD1       5.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=1971,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=3480,3481,3482,
 &end
#
#  92  RG H8      162 TRP HZ3        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2005,3706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92  RG H8      154 ALA QB        6.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr2=3569,3570,3571,
 &end
#
#  92  RG H8      163 ALA QB        6.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr2=3717,3718,3719,
 &end
#
#  92  RG H8      148 LEU QD1       6.250    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr2=3480,3481,3482,
 &end
#
#  92  RG H1'     148 LEU QD1        4.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=3480,3481,3482,
 &end
#
#  92  RG H8      164 LYS QE         5.80    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2005,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2=3736,3737,
 &end
#
#  92  RG H2'     162 TRP HZ3        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2021,3706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92  RG H1'     162 TRP HH2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2002,3704, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92  RG H2'     162 TRP HH2        5.00    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2021,3704, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92  RG H1'     150 ARG QD         4.10    (#   )
 &rst
  ixpk= 0, nxpk= 0, iat=2002,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=3512,3513,
 &end
#


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