NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
492096 2k2v cing 1-original 4 AMBER distance NOE ambi


#
#   44 PHE  HN           43 PRO  HA          2.80    (#      0:20        Unique  2.24, 2.28 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 706, 702, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   76 LYS  HN           74 CYS  HA          4.00    (#      1:20        Unique  3.07, 3.24 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1226,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HN           74 CYS  HA          4.00    (#      2:20        Unique  2.98, 3.66 A)
 &rst
  ixpk= 2, nxpk= 20, iat=1248,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  HN           74 CYS  HA          3.20    (#      3:20        Unique  2.27, 2.44 A)
 &rst
  ixpk= 3, nxpk= 20, iat=1207,1198, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   84 ASP  HA           63 VAL  HA          3.00    (#      5:20        Unique  2.51, 2.86 A)
 &rst
  ixpk= 5, nxpk= 20, iat=1357,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HN          100 ILE  HA          3.50    (#      6:20        Unique  2.91, 2.92 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLU  HN          100 ILE  HA          2.80    (#      7:20        Unique  2.35, 2.37 A)
 &rst
  ixpk= 7, nxpk= 20, iat=1602,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HA          100 ILE  HA          2.80    (#      8:20        Unique  1.83, 1.87 A)
 &rst
  ixpk= 8, nxpk= 20, iat= 774,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   83 ALA  HN           82 VAL  HA          3.00    (#      9:20        Unique  2.26, 2.42 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1345,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LEU  HN           82 VAL  HA          3.80    (#     10:20        Unique  2.34, 3.09 A)
 &rst
  ixpk= 10, nxpk= 20, iat=1090,1331, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   79 TYR  HN           79 TYR  HA          3.80    (#     11:20        Unique  2.91, 2.92 A)
 &rst
  ixpk= 11, nxpk= 20, iat=1277,1279, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   80 VAL  HN           79 TYR  HA          3.00    (#     12:20        Unique  2.28, 2.46 A)
 &rst
  ixpk= 12, nxpk= 20, iat=1298,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 LEU  HN           79 TYR  HA          4.00    (#     13:20        Unique  3.04, 3.72 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1541,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HD           79 TYR  HA          4.00    (#     14:20        Unique  3.14, 3.70 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1285,1294,
 &end
#
#   45 MET  HN           44 PHE  HA          2.80    (#     16:20        Unique  2.15, 2.18 A)
 &rst
  ixpk= 16, nxpk= 20, iat= 726, 708, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HN           44 PHE  HA          3.00    (#     17:20        Unique  2.86, 2.87 A)
 &rst
  ixpk= 17, nxpk= 20, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PHE  HD           44 PHE  HA          4.00    (#     18:20        Unique  3.82, 4.15 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#    0 AMB  20-2:19      99 ASP  HA          3.00    (#     19:20        Single  0.00, 0.00  )
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1583,1571,
 &end
#
#    0 AMB  20-2:20       0 AMB  20-1:20     4.00    (#     20:20        Double  0.00, 0.00  )
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1007, 796,
 igr2= 752,1573,
 &end
#
#   47 LYS  HN           47 LYS  HA          3.00    (#     21:20        Unique  2.84, 2.91 A)
 &rst
  ixpk= 21, nxpk= 20, iat= 750, 752, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HN           47 LYS  HA          2.80    (#     22:20        Unique  2.16, 2.17 A)
 &rst
  ixpk= 22, nxpk= 20, iat= 772, 752, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   63 VAL  HN           47 LYS  HA          4.00    (#     23:20        Unique  3.43, 3.72 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1043, 752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   49 LYS  HN           48 TRP  HA          2.80    (#     25:20        Unique  2.20, 2.21 A)
 &rst
  ixpk= 25, nxpk= 20, iat= 796, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HD1          48 TRP  HA          3.00    (#     26:20        Unique  2.56, 2.74 A)
 &rst
  ixpk= 26, nxpk= 20, iat= 780, 774, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 VAL  HN           45 MET  HA          3.00    (#     28:20        Unique  2.38, 2.58 A)
 &rst
  ixpk= 28, nxpk= 20, iat=1074, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 MET  HN           45 MET  HA          3.50    (#     29:20        Unique  2.87, 2.88 A)
 &rst
  ixpk= 29, nxpk= 20, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HN           45 MET  HA          2.80    (#     30:20        Unique  2.18, 2.24 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 743, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HN           48 TRP  HA          3.80    (#     31:20        Unique  2.84, 2.85 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  100 ILE  HA           48 TRP  HA          2.80    (#     32:20        Unique  1.83, 1.87 A)
 &rst
  ixpk= 32, nxpk= 20, iat=1585, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 LYS  HN           46 GLY  HA-         3.00    (#     33:20        Unique  2.15, 2.59 A)
 &rst
  ixpk= 33, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#  103 ILE  HN           46 GLY  HA-         3.50    (#     34:20        Unique  1.97, 2.89 A)
 &rst
  ixpk= 34, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#   42 PHE  HB-          43 PRO  HA          4.00    (#     35:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          43 PRO  HA          4.00    (#     36:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   43 PRO  HB+          43 PRO  HA          3.00    (#     37:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          43 PRO  HA          3.00    (#     38:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 699, 700,
 &end
#
#    0 AMB  20-2:39      43 PRO  HA          4.00    (#     39:20        Single  0.00, 0.00  )
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 696, 697, 696, 697,1066,1067,
 &end
#
#   94 THR  MG2          94 THR  HA          3.00    (#     40:20        Unique  2.02, 2.85 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1501,1502,1503,
 &end
#
#   95 ALA  MB           94 THR  HA          6.00    (#     41:20        Unique  4.39, 5.02 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1513,1514,1515,
 &end
#
#   94 THR  HB           94 THR  HA          3.50    (#     42:20        Unique  2.92, 2.96 A)
 &rst
  ixpk= 42, nxpk= 20, iat=1499,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 CYS  HB+          74 CYS  HA          3.00    (#     43:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1200,1201,
 &end
#
#    0 AMB  20-2:44      74 CYS  HA          4.00    (#     44:20        Single  0.00, 0.00  )
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1271,1272,1273,1188,1189,1185,1186,
 &end
#
#   74 CYS  HB-          74 CYS  HA          3.00    (#     45:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1200,1201,
 &end
#
#   63 VAL  HB           63 VAL  HA          3.00    (#     46:20        Unique  2.35, 2.51 A)
 &rst
  ixpk= 46, nxpk= 20, iat=1047,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HG1-        100 ILE  HA          3.00    (#     47:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#  100 ILE  HB          100 ILE  HA          3.50    (#     48:20        Unique  2.59, 2.73 A)
 &rst
  ixpk= 48, nxpk= 20, iat=1587,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  100 ILE  QG2         100 ILE  HA          3.00    (#     49:20        Unique  3.35, 3.78 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  HA          3.00    (#     50:20        Unique  2.34, 3.97 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1596,1597,1598,
 &end
#
#   82 VAL  MGX          82 VAL  HA          4.00    (#     52:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   65 VAL  HA           82 VAL  HA          3.00    (#     53:20        Unique  2.01, 2.51 A)
 &rst
  ixpk= 53, nxpk= 20, iat=1076,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:54      82 VAL  HA          4.00    (#     54:20        Single  0.00, 0.00  )
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1047,1066,1067,1302,
 &end
#
#   82 VAL  MGY          82 VAL  HA          3.00    (#     55:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  HA          3.00    (#     56:20        Unique  2.36, 2.57 A)
 &rst
  ixpk= 56, nxpk= 20, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   83 ALA  MB           82 VAL  HA          4.00    (#     57:20        Unique  4.20, 4.84 A)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1349,1350,1351,
 &end
#
#   66 LEU  MDY          82 VAL  HA          3.00    (#     58:20        Unique  2.10, 4.26 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#   96 LYS  HA           79 TYR  HA          5.00    (#     59:20        Unique  6.07, 6.38 A)
 &rst
  ixpk= 59, nxpk= 20, iat=1521,1279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:60      79 TYR  HA          4.00    (#     60:20        Single  0.00, 0.00  )
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1501,1502,1503,1526,1527,
 &end
#
#    0 AMB  20-2:61      79 TYR  HA          3.00    (#     61:20        Single  0.00, 0.00  )
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1281,1282,1281,1282,
 &end
#
#   80 VAL  MGX          79 TYR  HA          3.00    (#     62:20        Unique  3.08, 4.69 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:63      44 PHE  HA          4.50    (#     63:20        Single  0.00, 0.00  )
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 664, 665, 730, 731,
 &end
#
#    0 AMB  20-2:64      44 PHE  HA          3.00    (#     64:20        Single  0.00, 0.00  )
 &rst
  ixpk= 64, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 710, 711, 710, 711,
 &end
#
#    0 AMB  20-2:65      44 PHE  HA          5.00    (#     65:20        Single  0.00, 0.00  )
 &rst
  ixpk= 65, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 730, 731, 696, 697,
 &end
#
#  105 VAL  MGY          44 PHE  HA          4.00    (#     66:20        Unique  4.30, 6.62 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   99 ASP  HB+          99 ASP  HA          3.00    (#     67:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          99 ASP  HA          3.00    (#     68:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#    0 AMB  20-2:69      47 LYS  HA          3.00    (#     69:20        Single  0.00, 0.00  )
 &rst
  ixpk= 69, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,1593,1594,
 &end
#
#   47 LYS  HB-          47 LYS  HA          3.00    (#     70:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 754, 755,
 &end
#
#    0 AMB  20-2:71      47 LYS  HA          4.00    (#     71:20        Single  0.00, 0.00  )
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 745, 746, 776, 777,
 &end
#
#    0 AMB  20-2:72       0 AMB  20-1:72     5.00    (#     72:20        Double  0.00, 0.00  )
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1035,1036,1037, 803, 804,
 igr2= 752,1573,
 &end
#
#   63 VAL  MGX          47 LYS  HA          5.00    (#     73:20        Unique  3.96, 5.77 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  100 ILE  QD1          48 TRP  HA          3.00    (#     74:20        Unique  1.89, 3.83 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1596,1597,1598,
 &end
#
#   48 TRP  HB-          48 TRP  HA          3.00    (#     75:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#   45 MET  HB-          45 MET  HA          3.00    (#     76:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 730, 731,
 &end
#
#    0 AMB  20-2:77      45 MET  HA          3.00    (#     77:20        Single  0.00, 0.00  )
 &rst
  ixpk= 77, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 730, 731, 737, 738, 739,
 &end
#
#    0 AMB  20-2:78      45 MET  HA          5.00    (#     78:20        Single  0.00, 0.00  )
 &rst
  ixpk= 78, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1078,1640,1641,1642,
 &end
#
#   45 MET  HG-          45 MET  HA          3.00    (#     79:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 733, 734,
 &end
#
#    0 AMB  20-2:80      45 MET  HA          4.00    (#     80:20        Single  0.00, 0.00  )
 &rst
  ixpk= 80, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#   48 TRP  HB+          48 TRP  HA          3.50    (#     81:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 776, 777,
 &end
#
#   84 ASP  HB+          83 ALA  HA          5.00    (#     82:20        Unique  4.35, 4.97 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1359,1360,
 &end
#
#    0 AMB  20-2:83      83 ALA  HA          5.00    (#     83:20        Single  0.00, 0.00  )
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,1450,1451,
 &end
#
#   83 ALA  MB           83 ALA  HA          3.00    (#     84:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1349,1350,1351,
 &end
#
#    0 AMB  20-2:85      83 ALA  HA          3.00    (#     85:20        Single  0.00, 0.00  )
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#    0 AMB  20-2:87      46 GLY  HA-         4.00    (#     87:20        Single  0.00, 0.00  )
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 igr2= 745, 746,
 &end
#
#   45 MET  ME           46 GLY  HA-         4.50    (#     88:20        Unique  2.34, 3.92 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739,
 igr2= 745, 746,
 &end
#
#  100 ILE  QG2          46 GLY  HA-         3.00    (#     89:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1589,1590,1591,
 igr2= 745, 746,
 &end
#
#    0 AMB  20-2:91      57 THR  HB          4.50    (#     91:20        Single  0.00, 0.00  )
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 950, 951, 952, 925, 926, 927,
 &end
#
#   55 THR  MG2          55 THR  HB          4.50    (#     92:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 925, 926, 927,
 &end
#
#   94 THR  MG2          94 THR  HB          3.00    (#     93:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1501,1502,1503,
 &end
#
#   39 THR  MG2          39 THR  HB          3.00    (#     94:20        Unique  2.26, 2.64 A)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 630, 631, 632,
 &end
#
#    0 AMB  20-2:95      62 THR  HB          3.00    (#     95:20        Single  0.00, 0.00  )
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1377,1378,1035,1036,1037,
 &end
#
#   85 ILE  QD1          62 THR  HB          4.00    (#     96:20        Unique  3.19, 4.26 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1380,1381,1382,
 &end
#
#    9 THR  MG2           9 THR  HB          3.00    (#     97:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1, 128, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 130, 131, 132,
 &end
#
#    9 THR  HA            9 THR  HB          3.00    (#     98:20        Unique  2.57, 2.63 A)
 &rst
  ixpk= 98, nxpk= 20, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB          109 THR  HA          4.00    (#     99:20        Unique  2.69, 3.81 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1760,1761,1762,
 &end
#
#   40 LEU  MDY         109 THR  HA          3.00    (#    100:20        Unique  1.91, 4.31 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2         109 THR  HA          3.00    (#    101:20        Unique  2.47, 3.20 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#  113 ILE  HG1+        113 ILE  HA          3.00    (#    102:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#  113 ILE  HB          113 ILE  HA          3.00    (#    103:20        Unique  3.01, 3.01 A)
 &rst
  ixpk= 103, nxpk= 20, iat=1770,1768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 ILE  QG2         113 ILE  HA          3.00    (#    104:20        Unique  2.38, 3.18 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1772,1773,1774,
 &end
#
#  113 ILE  HG1-        113 ILE  HA          3.00    (#    105:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#    9 THR  HB            9 THR  HA          3.00    (#    106:20        Unique  2.57, 2.63 A)
 &rst
  ixpk= 106, nxpk= 20, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 HIS  HB+           9 THR  HA          4.00    (#    107:20        Unique  4.30, 5.31 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 181, 182,
 &end
#
#   13 ARG  HG+           9 THR  HA          4.30    (#    108:20        Unique  1.92, 2.61 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 201, 202,
 &end
#
#    0 AMB  20-2:109     14 ILE  HA          5.00    (#    109:20        Single  0.00, 0.00  )
 &rst
  ixpk= 109, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 224, 225, 226, 285,
 &end
#
#   18 ILE  QD1          14 ILE  HA          3.00    (#    110:20        Unique  2.63, 3.83 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 294, 295, 296,
 &end
#
#   39 THR  MG2          39 THR  HA          3.00    (#    111:20        Unique  2.44, 3.23 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 630, 631, 632,
 &end
#
#   18 ILE  HG1+         18 ILE  HA          5.00    (#    112:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 291, 292,
 &end
#
#   18 ILE  HB           18 ILE  HA          5.00    (#    113:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 113, nxpk= 20, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  QG2          18 ILE  HA          5.00    (#    114:20        Unique  2.36, 3.20 A)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 287, 288, 289,
 &end
#
#   70 PRO  HB+          70 PRO  HA          3.00    (#    115:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#    0 AMB  20-2:116     70 PRO  HA          4.00    (#    116:20        Single  0.00, 0.00  )
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1147,1148,1185,1186,
 &end
#
#   56 SER  HA           52 SER  HB+         5.50    (#    117:20        Unique  3.12, 4.62 A)
 &rst
  ixpk= 117, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 866, 867,
 &end
#
#    0 AMB  20-2:118      0 AMB  20-1:118    6.50    (#    118:20        Double  0.00, 0.00  )
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
 igr1= 925, 926, 927, 950, 951, 952,
 igr2= 866, 867, 866, 867,
 &end
#
#   52 SER  HA           52 SER  HB+         4.50    (#    119:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 864,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 866, 867,
 &end
#
#    3 SER  HA            3 SER  HB+         3.00    (#    120:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  35,  36,
 &end
#
#   70 PRO  HB-          70 PRO  HA          3.00    (#    121:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#   70 PRO  HG+          70 PRO  HA          4.00    (#    122:20        Unique  3.85, 3.94 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1147,1148,
 &end
#
#    0 AMB  20-2:123     16 THR  HA          3.00    (#    123:20        Single  0.00, 0.00  )
 &rst
  ixpk= 123, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   20 VAL  HB           16 THR  HA          4.00    (#    124:20        Unique  3.88, 4.71 A)
 &rst
  ixpk= 124, nxpk= 20, iat= 323, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16 THR  MG2          16 THR  HA          3.00    (#    125:20        Unique  2.53, 3.25 A)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#   56 SER  HA           56 SER  HB-         3.00    (#    126:20        Unique  2.27, 2.73 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 937, 938,
 &end
#
#   56 SER  HA           56 SER  HB+         3.00    (#    127:20        Unique  2.27, 2.73 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 937, 938,
 &end
#
#   33 TYR  HB+          33 TYR  HA          3.20    (#    128:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HA          4.50    (#    129:20        Unique  2.99, 3.96 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1271,1272,1273,
 &end
#
#   33 TYR  HB-          33 TYR  HA          3.50    (#    130:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 522, 523,
 &end
#
#   68 MET  ME           33 TYR  HA          4.00    (#    131:20        Unique  2.33, 3.62 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   20 VAL  HB           20 VAL  HA          3.00    (#    132:20        Unique  2.68, 2.99 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:133     20 VAL  HA          3.00    (#    133:20        Single  0.00, 0.00  )
 &rst
  ixpk= 133, nxpk= 20, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    0 AMB  20-2:134      0 AMB  20-1:134    3.80    (#    134:20        Double  0.00, 0.00  )
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 igr2=1564,1565,1564,1565,
 &end
#
#   65 VAL  MGY          65 VAL  HA          3.00    (#    135:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:136     65 VAL  HA          3.00    (#    136:20        Single  0.00, 0.00  )
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   34 TYR  HB-          34 TYR  HA          3.00    (#    137:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   37 ASP  HB+          34 TYR  HA          4.00    (#    138:20        Unique  3.17, 4.51 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#   34 TYR  HB+          34 TYR  HA          3.00    (#    139:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   85 ILE  QG2          85 ILE  HA          3.00    (#    140:20        Unique  2.20, 3.00 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1373,1374,1375,
 &end
#
#   85 ILE  HB           85 ILE  HA          3.00    (#    141:20        Unique  2.48, 2.50 A)
 &rst
  ixpk= 141, nxpk= 20, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1+         85 ILE  HA          3.00    (#    142:20        Unique  3.68, 3.71 A)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   37 ASP  HB-          34 TYR  HA          4.00    (#    143:20        Unique  3.17, 4.51 A)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:144     85 ILE  HA          3.00    (#    144:20        Single  0.00, 0.00  )
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1377,1378,1349,1350,1351,
 &end
#
#   35 TYR  HB+          35 TYR  HA          3.00    (#    145:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#   58 ILE  QG2          57 THR  HA          7.00    (#    146:20        Unique  5.99, 6.43 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 964, 965, 966,
 &end
#
#   57 THR  HB           57 THR  HA          5.00    (#    147:20        Unique  2.51, 2.73 A)
 &rst
  ixpk= 147, nxpk= 20, iat= 948, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:148     57 THR  HA          5.50    (#    148:20        Single  0.00, 0.00  )
 &rst
  ixpk= 148, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 962, 844, 845,
 &end
#
#   58 ILE  HG1-         57 THR  HA          6.00    (#    149:20        Unique  4.27, 4.94 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 968, 969,
 &end
#
#   57 THR  MG2          57 THR  HA          5.00    (#    150:20        Unique  2.40, 3.63 A)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 950, 951, 952,
 &end
#
#  121 ALA  MB          118 TYR  HA          3.00    (#    151:20        Unique  2.05, 3.34 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#  118 TYR  HB-         118 TYR  HA          3.00    (#    152:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 152, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1855,
 &end
#
#  118 TYR  HB+         118 TYR  HA          3.00    (#    153:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1854,1855,
 &end
#
#   32 TRP  HB-          32 TRP  HA          3.00    (#    154:20        Unique  2.58, 2.82 A)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   18 ILE  QG2          32 TRP  HA          4.00    (#    155:20        Unique  1.93, 2.41 A)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 287, 288, 289,
 &end
#
#    0 AMB  20-2:156     32 TRP  HA          3.00    (#    156:20        Single  0.00, 0.00  )
 &rst
  ixpk= 156, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 498, 499, 564, 565,
 &end
#
#   35 TYR  HB-          35 TYR  HA          3.00    (#    157:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#   38 ASP  HB-          35 TYR  HA          3.50    (#    158:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB+          35 TYR  HA          3.50    (#    159:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 616, 617,
 &end
#
#  122 ARG  HB+         119 TRP  HA          4.00    (#    160:20        Unique  3.06, 4.26 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1928,1929,
 &end
#
#   55 THR  MG2          55 THR  HA          6.00    (#    161:20        Unique  2.80, 3.68 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 925, 926, 927,
 &end
#
#    0 AMB  20-2:162    119 TRP  HA          3.00    (#    162:20        Single  0.00, 0.00  )
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1875,1876, 148, 149,
 &end
#
#    0 AMB  20-2:163     58 ILE  HA          3.00    (#    163:20        Single  0.00, 0.00  )
 &rst
  ixpk= 163, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 844, 845, 962,
 &end
#
#   58 ILE  QG2          58 ILE  HA          3.00    (#    164:20        Unique  2.60, 3.35 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#    0 AMB  20-2:165    103 ILE  HA          3.00    (#    165:20        Single  0.00, 0.00  )
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1637,1638,1631,
 &end
#
#    0 AMB  20-2:166      0 AMB  20-1:166    3.00    (#    166:20        Double  0.00, 0.00  )
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 968, 969,1637,1638,
 igr2= 960,1629,
 &end
#
#   19 ILE  QG2          28 ARG  HA          3.00    (#    167:20        Unique  1.89, 2.66 A)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   25 LYS  HG+          25 LYS  HA          4.00    (#    168:20        Unique  3.57, 3.91 A)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 391, 392,
 &end
#
#    0 AMB  20-2:169      4 VAL  HA          6.50    (#    169:20        Single  0.00, 0.00  )
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=  65,  66,  65,  66,
 &end
#
#    4 VAL  MGY           4 VAL  HA          3.00    (#    170:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:171      0 AMB  20-1:171    3.00    (#    171:20        Double  0.00, 0.00  )
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1633,1634,1635,1840,1841,1842,1844,1845,1846,
 igr2=1629,1562,
 &end
#
#   31 GLY  HA-          19 ILE  HA          3.50    (#    172:20        Unique  1.91, 2.96 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 490,
 &end
#
#   19 ILE  HB           19 ILE  HA          3.00    (#    173:20        Unique  2.53, 2.66 A)
 &rst
  ixpk= 173, nxpk= 20, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  QG2          19 ILE  HA          3.00    (#    174:20        Unique  2.03, 2.87 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   22 ALA  MB           19 ILE  HA          3.00    (#    175:20        Unique  2.84, 3.84 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  20-2:176      0 AMB  20-1:176    3.00    (#    176:20        Double  0.00, 0.00  )
 &rst
  ixpk= 176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 201, 202, 130, 131, 132,
 igr2= 196, 140,
 &end
#
#    0 AMB  20-2:177      0 AMB  20-1:177    3.00    (#    177:20        Double  0.00, 0.00  )
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 145, 146, 198, 199, 198, 199,
 igr2= 140, 196,
 &end
#
#    0 AMB  20-2:178     28 ARG  HA          4.00    (#    178:20        Single  0.00, 0.00  )
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 425, 426,1271,1272,1273,
 &end
#
#   22 ALA  MB           28 ARG  HA          3.00    (#    179:20        Unique  2.03, 3.22 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#   98 SER  HB-          98 SER  HA          3.00    (#    180:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,1562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1564,1565,
 &end
#
#    0 AMB  20-2:181     98 SER  HA          4.00    (#    181:20        Single  0.00, 0.00  )
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,1562, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#    0 AMB  20-2:182      0 AMB  20-1:182    5.00    (#    182:20        Double  0.00, 0.00  )
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 222, 273, 274,
 igr2= 140, 196,
 &end
#
#   14 ILE  HB           11 GLU  HA          3.00    (#    183:20        Unique  3.50, 4.19 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 222, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 GLU  HG+          11 GLU  HA          4.00    (#    184:20        Unique  2.11, 2.99 A)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 169, 170,
 &end
#
#   14 ILE  QD1          11 GLU  HA          4.00    (#    185:20        Unique  4.57, 6.04 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#    0 AMB  20-2:186      0 AMB  20-1:186    3.00    (#    186:20        Double  0.00, 0.00  )
 &rst
  ixpk= 186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 169, 170, 428, 429,
 igr2= 111, 423,
 &end
#
#    0 AMB  20-2:187      0 AMB  20-1:187    3.00    (#    187:20        Double  0.00, 0.00  )
 &rst
  ixpk= 187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 224, 225, 226, 351, 352, 353,
 igr2= 239, 423,
 &end
#
#   19 ILE  HG1-         15 GLU  HA          4.00    (#    188:20        Unique  1.99, 3.30 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 310, 311,
 &end
#
#    0 AMB  20-2:189     56 SER  HA          3.00    (#    189:20        Single  0.00, 0.00  )
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 937, 938, 937, 938,
 &end
#
#    0 AMB  20-2:190      0 AMB  20-1:190    3.50    (#    190:20        Double  0.00, 0.00  )
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 169, 170, 428, 429,
 igr2= 111, 423,
 &end
#
#    0 AMB  20-2:191      0 AMB  20-1:191    3.00    (#    191:20        Double  0.00, 0.00  )
 &rst
  ixpk= 191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 113, 114, 425, 426,
 igr2= 111, 423,
 &end
#
#  110 GLN  HG-         110 GLN  HA          3.80    (#    192:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HA          3.00    (#    193:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#    0 AMB  20-2:194    110 GLN  HA          3.00    (#    194:20        Single  0.00, 0.00  )
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
 &end
#
#  116 TRP  HB+         116 TRP  HA          3.00    (#    195:20        Unique  2.26, 2.65 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  114 ALA  MB          111 GLU  HA          3.00    (#    196:20        Unique  2.73, 3.85 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#    0 AMB  20-2:197     36 LEU  HA          3.00    (#    197:20        Single  0.00, 0.00  )
 &rst
  ixpk= 197, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 585, 586,1760,1761,1762,
 &end
#
#    0 AMB  20-2:198      3 SER  HA          3.00    (#    198:20        Single  0.00, 0.00  )
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  35,  36,  35,  36,
 &end
#
#    2 ALA  MB            3 SER  HA          5.00    (#    199:20        Unique  3.79, 4.79 A)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  25,  26,  27,
 &end
#
#    4 VAL  MGX           3 SER  HA          5.00    (#    200:20        Unique  4.13, 6.01 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  117 LEU  HB-         117 LEU  HA          3.00    (#    202:20        Unique  2.48, 2.78 A)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDY         117 LEU  HA          3.00    (#    203:20        Unique  1.97, 3.86 A)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:204    117 LEU  HA          3.00    (#    204:20        Single  0.00, 0.00  )
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1899,1900,1835,1836,
 &end
#
#   37 ASP  HB-          37 ASP  HA          3.00    (#    205:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#    0 AMB  20-2:206      0 AMB  20-1:206    3.50    (#    206:20        Double  0.00, 0.00  )
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1748,1749,1120,1121,
 igr2=1700, 602,
 &end
#
#    0 AMB  20-2:207     37 ASP  HA          3.00    (#    207:20        Single  0.00, 0.00  )
 &rst
  ixpk= 207, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1123,1124, 604, 605,
 &end
#
#  108 ASP  HB+         108 ASP  HA          3.00    (#    208:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#   54 LYS  HG-           0 AMB  20-1:209    3.40    (#    209:20        Single  0.00, 0.00  )
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 904, 905,
 igr2= 899, 875,
 &end
#
#  106 ASP  HB+         107 ASP  HA          5.00    (#    210:20        Unique  4.46, 5.10 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1678,1679,
 &end
#
#  107 ASP  HB+         107 ASP  HA          3.00    (#    211:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  111 GLU  HG+         107 ASP  HA          4.00    (#    212:20        Unique  3.08, 3.69 A)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1748,1749,
 &end
#
#  110 GLN  HB+         107 ASP  HA          3.00    (#    213:20        Unique  3.00, 3.45 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#    0 AMB  20-2:214      0 AMB  20-1:214    3.00    (#    214:20        Double  0.00, 0.00  )
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 877, 878, 901, 902,
 igr2= 875, 899,
 &end
#
#    0 AMB  20-2:215      0 AMB  20-1:215    3.00    (#    215:20        Double  0.00, 0.00  )
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 880, 881, 907, 908,
 igr2= 875, 899,
 &end
#
#   53 ARG  HD+          53 ARG  HA          4.30    (#    216:20        Unique  3.29, 4.08 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 883, 884,
 &end
#
#   71 ASP  HB+          71 ASP  HA          3.00    (#    218:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#   74 CYS  HB-          71 ASP  HA          4.00    (#    219:20        Unique  2.52, 4.71 A)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1200,1201,
 &end
#
#   71 ASP  HB-          71 ASP  HA          3.00    (#    220:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#   52 SER  HB+          52 SER  HA          5.00    (#    221:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 866, 867,
 &end
#
#    0 AMB  20-2:222     97 LEU  HA          3.00    (#    222:20        Single  0.00, 0.00  )
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1550,1551,1552,1554,1555,1556,1589,1590,1591,
 &end
#
#  100 ILE  HB           97 LEU  HA          4.00    (#    223:20        Unique  4.04, 4.22 A)
 &rst
  ixpk= 223, nxpk= 20, iat=1587,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:224     97 LEU  HA          3.00    (#    224:20        Single  0.00, 0.00  )
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1550,1551,1552,1554,1555,1556,1772,1773,1774,1545,
      1546,
 &end
#
#    0 AMB  20-2:225     97 LEU  HA          4.00    (#    225:20        Single  0.00, 0.00  )
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,1904,1905,1906,1908,1909,1910,
 &end
#
#   97 LEU  HB+          97 LEU  HA          3.00    (#    226:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1545,1546,
 &end
#
#   96 LYS  HG+          96 LYS  HA          4.00    (#    227:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   96 LYS  HB+          96 LYS  HA          3.00    (#    228:20        Unique  2.37, 2.77 A)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1523,1524,
 &end
#
#   96 LYS  HD+          96 LYS  HA          4.40    (#    229:20        Unique  1.55, 3.01 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1529,1530,
 &end
#
#   23 GLU  HB+          23 GLU  HA          3.00    (#    230:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 361, 362,
 &end
#
#   22 ALA  MB           23 GLU  HA          4.00    (#    231:20        Unique  4.31, 5.11 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#    6 ARG  HB-           6 ARG  HA          3.00    (#    232:20        Unique  2.24, 2.46 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  77,  78,
 &end
#
#    0 AMB  20-2:233      0 AMB  20-1:233    5.00    (#    233:20        Double  0.00, 0.00  )
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 361, 362, 270, 271,
 igr2= 359, 268,
 &end
#
#   17 GLU  HB-          17 GLU  HA          4.50    (#    234:20        Unique  2.42, 2.73 A)
 &rst
  ixpk= 234, nxpk= 20, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 270, 271,
 &end
#
#    0 AMB  20-2:235     17 GLU  HA          5.00    (#    235:20        Single  0.00, 0.00  )
 &rst
  ixpk= 235, nxpk= 20, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#  120 LEU  HB+         120 LEU  HA          3.00    (#    236:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#    0 AMB  20-2:237    120 LEU  HA          3.00    (#    237:20        Single  0.00, 0.00  )
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  HA          3.00    (#    238:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#   73 GLU  HB+          73 GLU  HA          3.00    (#    239:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1185,1186,
 &end
#
#   73 GLU  HB-          73 GLU  HA          3.00    (#    240:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1185,1186,
 &end
#
#   51 LYS  HB+          51 LYS  HA          3.00    (#    241:20        Unique  2.29, 2.81 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 844, 845,
 &end
#
#    0 AMB  20-2:242      0 AMB  20-1:242    5.50    (#    242:20        Double  0.00, 0.00  )
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 968, 969,1407,1408,
 igr2= 842,1402,
 &end
#
#   87 GLY  HA+          88 LYS  HA          5.00    (#    243:20        Unique  4.35, 4.46 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1395,1396,
 &end
#
#   51 LYS  HG+          51 LYS  HA          3.30    (#    244:20        Unique  2.03, 2.79 A)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 847, 848,
 &end
#
#   58 ILE  HG1+         51 LYS  HA          4.00    (#    245:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   50 LYS  HG+          51 LYS  HA          5.00    (#    246:20        Unique  4.03, 4.80 A)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 825, 826,
 &end
#
#    0 AMB  20-2:247     75 LEU  HA          3.00    (#    247:20        Single  0.00, 0.00  )
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  HA          3.00    (#    248:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 248, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   75 LEU  HB+          75 LEU  HA          3.00    (#    249:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#   75 LEU  MDX          75 LEU  HA          3.00    (#    250:20        Unique  1.99, 3.81 A)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   43 PRO  HB+          66 LEU  HA          3.50    (#    251:20        Unique  1.98, 3.05 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          66 LEU  HA          3.50    (#    252:20        Unique  1.98, 3.05 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 699, 700,
 &end
#
#    0 AMB  20-2:253     66 LEU  HA          4.00    (#    253:20        Single  0.00, 0.00  )
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 696, 697, 696, 697,1066,1067,
 &end
#
#   81 GLU  HB+          66 LEU  HA          5.00    (#    254:20        Unique  4.91, 5.69 A)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1318,1319,
 &end
#
#   66 LEU  HB+          66 LEU  HA          3.00    (#    255:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1094,1095,
 &end
#
#   66 LEU  MDX          66 LEU  HA          3.00    (#    256:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#   33 TYR  HB-          30 MET  HA          4.00    (#    258:20        Unique  2.87, 3.81 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 522, 523,
 &end
#
#   30 MET  ME           30 MET  HA          3.00    (#    259:20        Unique  1.99, 3.01 A)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 481, 482, 483,
 &end
#
#    5 GLU  HG+           5 GLU  HA          5.00    (#    260:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HA          4.50    (#    261:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           5 GLU  HA          4.50    (#    262:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  62,  63,
 &end
#
#   75 LEU  HB+          75 LEU  HA          3.00    (#    263:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1211,1212,
 &end
#
#  109 THR  MG2          40 LEU  HA          3.00    (#    264:20        Unique  1.99, 3.60 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  HG           40 LEU  HA          3.00    (#    265:20        Unique  2.41, 2.64 A)
 &rst
  ixpk= 265, nxpk= 20, iat= 645, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 LEU  HB+          40 LEU  HA          3.00    (#    266:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   50 LYS  HB-          50 LYS  HA          3.00    (#    267:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  20-2:268     50 LYS  HA          4.20    (#    268:20        Single  0.00, 0.00  )
 &rst
  ixpk= 268, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 844, 845, 981, 982,1011,1012,
 &end
#
#   50 LYS  HD+          50 LYS  HA          4.00    (#    269:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 828, 829,
 &end
#
#   49 LYS  HG-          49 LYS  HA          3.00    (#    270:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.57, r4= 3.97,
 igr1= 803, 804,
 &end
#
#   58 ILE  QG2          49 LYS  HA          3.00    (#    271:20        Unique  2.25, 3.41 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#   49 LYS  HB-          49 LYS  HA          3.00    (#    272:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 801,
 &end
#
#   49 LYS  HG+          49 LYS  HA          3.30    (#    273:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 803, 804,
 &end
#
#  117 LEU  MDX         114 ALA  HA          3.00    (#    274:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  114 ALA  MB          114 ALA  HA          3.00    (#    275:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#    0 AMB  20-2:276    114 ALA  HA          5.00    (#    276:20        Single  0.00, 0.00  )
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,1787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1833,1768,1726,
 &end
#
#    0 AMB  20-2:277     50 LYS  HA          5.50    (#    277:20        Single  0.00, 0.00  )
 &rst
  ixpk= 277, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 850, 851, 844, 845,
 &end
#
#   50 LYS  HB+          50 LYS  HA          3.00    (#    278:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  20-2:280     21 ASP  HA          3.00    (#    280:20        Single  0.00, 0.00  )
 &rst
  ixpk= 280, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   20 VAL  HA           21 ASP  HA          5.00    (#    281:20        Unique  4.53, 4.56 A)
 &rst
  ixpk= 281, nxpk= 20, iat= 321, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    1 MET  HB-           1 MET  HA          3.00    (#    282:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HA          3.80    (#    283:20        Unique  2.30, 3.29 A)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=  11,  12,
 &end
#
#    1 MET  HB+           1 MET  HA          3.00    (#    284:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=   8,   9,
 &end
#
#  103 ILE  QG2         104 ASP  HA          4.00    (#    285:20        Unique  3.80, 4.79 A)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  104 ASP  HB+         104 ASP  HA          3.00    (#    286:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1650,1651,
 &end
#
#  104 ASP  HB-         104 ASP  HA          3.00    (#    287:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1650,1651,
 &end
#
#    0 AMB  20-2:289     72 ASP  HA          3.00    (#    289:20        Single  0.00, 0.00  )
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1173,1174,1173,1174,
 &end
#
#   29 ALA  MB           29 ALA  HA          3.00    (#    291:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#   78 MET  ME           29 ALA  HA          4.00    (#    292:20        Unique  1.99, 3.03 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#   89 ASP  HB+          89 ASP  HA          3.50    (#    294:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1426,1427,
 &end
#
#    0 AMB  20-2:296    121 ALA  HA          4.00    (#    296:20        Single  0.00, 0.00  )
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  124 TYR  HB-         124 TYR  HA          3.00    (#    298:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#  122 ARG  HD+         122 ARG  HA          4.20    (#    300:20        Unique  2.10, 3.23 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1934,1935,
 &end
#
#    4 VAL  MGX         122 ARG  HA          4.00    (#    301:20        Unique  3.53, 5.59 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  122 ARG  HB-         122 ARG  HA          3.00    (#    302:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1928,1929,
 &end
#
#  122 ARG  HB+         122 ARG  HA          4.00    (#    303:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1928,1929,
 &end
#
#  106 ASP  HB+         106 ASP  HA          3.00    (#    304:20        Unique  2.35, 2.82 A)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#  106 ASP  HB-         106 ASP  HA          3.00    (#    305:20        Unique  2.35, 2.82 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#    0 AMB  20-2:306    106 ASP  HA          5.50    (#    306:20        Single  0.00, 0.00  )
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1728,1729,
 &end
#
#   46 GLY  HA+         102 ALA  HA          3.00    (#    307:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 745, 746,
 &end
#
#  102 ALA  MB          102 ALA  HA          3.00    (#    308:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1621,1622,1623,
 &end
#
#  100 ILE  QG2         102 ALA  HA          4.00    (#    310:20        Unique  3.60, 4.87 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#   27 GLU  HG-          22 ALA  HA          4.00    (#    311:20        Unique  3.16, 3.86 A)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#    0 AMB  20-2:312     22 ALA  HA          5.00    (#    312:20        Single  0.00, 0.00  )
 &rst
  ixpk= 312, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 304, 364, 365,
 &end
#
#    0 AMB  20-2:313     22 ALA  HA          3.00    (#    313:20        Single  0.00, 0.00  )
 &rst
  ixpk= 313, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 425, 426, 425, 426,
 &end
#
#   22 ALA  MB           22 ALA  HA          3.00    (#    314:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  20-2:315      2 ALA  HA          5.00    (#    315:20        Single  0.00, 0.00  )
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1926,1875,1876,
 &end
#
#    2 ALA  MB            2 ALA  HA          3.00    (#    316:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  25,  26,  27,
 &end
#
#   70 PRO  HD-          69 ALA  HA          3.00    (#    317:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1144,1145,
 &end
#
#   70 PRO  HD+          69 ALA  HA          3.00    (#    318:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1144,1145,
 &end
#
#    0 AMB  20-2:319     69 ALA  HA          4.80    (#    319:20        Single  0.00, 0.00  )
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1188,1189,1147,1148,1302,
 &end
#
#   81 GLU  HG+          69 ALA  HA          3.80    (#    320:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1321,1322,
 &end
#
#   81 GLU  HG-          69 ALA  HA          4.00    (#    321:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1321,1322,
 &end
#
#   43 PRO  HB+          43 PRO  HD+         4.20    (#    322:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#    0 AMB  20-2:323      0 AMB  20-1:323    3.00    (#    323:20        Double  0.00, 0.00  )
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 696, 697, 696, 697,
 igr2= 693, 694, 693, 694,
 &end
#
#   43 PRO  HB+          43 PRO  HD-         4.00    (#    324:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#    0 AMB  20-2:325     43 PRO  HD-         3.00    (#    325:20        Single  0.00, 0.00  )
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 696, 697, 696, 697,
 igr2= 693, 694,
 &end
#
#   43 PRO  HB-          43 PRO  HD-         4.00    (#    326:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#   69 ALA  HA           70 PRO  HD-         3.00    (#    328:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 328, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1144,1145,
 &end
#
#   69 ALA  MB           70 PRO  HD-         3.00    (#    329:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1144,1145,
 &end
#
#   69 ALA  HA           70 PRO  HD+         3.00    (#    330:20        Unique  2.38, 2.61 A)
 &rst
  ixpk= 330, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:331      0 AMB  20-1:331    3.00    (#    331:20        Double  0.00, 0.00  )
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1188,1189,1147,1148,
 igr2=1144,1145,1144,1145,
 &end
#
#   70 PRO  HG-          70 PRO  HD+         3.00    (#    332:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1147,1148,
 igr2=1144,1145,
 &end
#
#   69 ALA  MB           70 PRO  HD+         3.00    (#    333:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:335      0 AMB  20-1:335    4.00    (#    335:20        Double  0.00, 0.00  )
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 igr2=1388,1389,1388,1389,
 &end
#
#   85 ILE  HB           86 GLY  HA+         5.00    (#    336:20        Unique  4.87, 4.97 A)
 &rst
  ixpk= 336, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1388,1389,
 &end
#
#   84 ASP  HB+          87 GLY  HA+         5.00    (#    337:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#   88 LYS  HG+          87 GLY  HA-         5.00    (#    338:20        Unique  3.13, 4.65 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1407,1408,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB-          87 GLY  HA-         5.00    (#    339:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB+          87 GLY  HA-         5.00    (#    340:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:341     87 GLY  HA-         6.00    (#    341:20        Single  0.00, 0.00  )
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1404,1405,1011,1012,
 igr2=1395,1396,
 &end
#
#   84 ASP  HB-          87 GLY  HA+         5.00    (#    342:20        Unique  2.67, 4.37 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1359,1360,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:343      0 AMB  20-1:343    6.00    (#    343:20        Double  0.00, 0.00  )
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 igr2= 745, 746, 745, 746,
 &end
#
#  102 ALA  HA           46 GLY  HA+         4.00    (#    344:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 344, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 745, 746,
 &end
#
#  100 ILE  HG1+         46 GLY  HA+         6.50    (#    345:20        Unique  1.93, 4.16 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1593,1594,
 igr2= 745, 746,
 &end
#
#  100 ILE  QG2          46 GLY  HA+         4.00    (#    346:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1589,1590,1591,
 igr2= 745, 746,
 &end
#
#  100 ILE  HG1+         46 GLY  HA+         6.50    (#    348:20        Unique  1.93, 4.16 A)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1593,1594,
 igr2= 745, 746,
 &end
#
#    6 ARG  HG+           6 ARG  HD+         3.00    (#    349:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  83,  84,
 &end
#
#    6 ARG  HB-           6 ARG  HD+         3.00    (#    350:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  77,  78,
 igr2=  83,  84,
 &end
#
#   53 ARG  HG+          53 ARG  HD+         3.00    (#    354:20        Unique  2.22, 2.71 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 880, 881,
 igr2= 883, 884,
 &end
#
#    6 ARG  HG+           6 ARG  HD-         3.00    (#    355:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  83,  84,
 &end
#
#   66 LEU  HA           66 LEU  HB-         3.50    (#    356:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:357     66 LEU  HB-         3.00    (#    357:20        Single  0.00, 0.00  )
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1099,1100,1101,1103,1104,1105,1097,
 igr2=1094,1095,
 &end
#
#   66 LEU  HA           66 LEU  HB-         3.50    (#    358:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 358, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   66 LEU  HA           66 LEU  HB+         3.50    (#    359:20        Unique  2.31, 2.78 A)
 &rst
  ixpk= 359, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:360      0 AMB  20-1:360    3.00    (#    360:20        Double  0.00, 0.00  )
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1097,
 igr2=1094,1095,1094,1095,1094,1095,
 &end
#
#    0 AMB  20-2:362     24 ASP  HB-         4.00    (#    362:20        Single  0.00, 0.00  )
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 425, 426, 410, 411,
 igr2= 376, 377,
 &end
#
#    0 AMB  20-2:363      0 AMB  20-1:363    5.00    (#    363:20        Double  0.00, 0.00  )
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
 igr1= 361, 362, 388, 389, 477, 478, 585, 586,
 igr2= 376, 377, 616, 617,
 &end
#
#   96 LYS  HG-          96 LYS  HE+         3.00    (#    364:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#   96 LYS  HG-          96 LYS  HE-         4.00    (#    366:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#   38 ASP  HA           38 ASP  HB+         3.00    (#    367:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 367, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   35 TYR  HA           38 ASP  HB+         3.00    (#    368:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 368, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   37 ASP  HA           37 ASP  HB+         3.00    (#    369:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#   25 LYS  HB+          25 LYS  HE+         3.80    (#    371:20        Unique  1.95, 3.92 A)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 388, 389,
 igr2= 397, 398,
 &end
#
#   25 LYS  HG-          25 LYS  HE+         3.00    (#    372:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 391, 392,
 igr2= 397, 398,
 &end
#
#    0 AMB  20-2:373      0 AMB  20-1:373    3.00    (#    373:20        Double  0.00, 0.00  )
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1529,1530,1523,1524,
 igr2=1532,1533,1532,1533,
 &end
#
#    0 AMB  20-2:377      0 AMB  20-1:377    3.00    (#    377:20        Double  0.00, 0.00  )
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1980,1981,1986,1987, 806, 807,
 igr2=1989,1990,1989,1990, 809, 810,
 &end
#
#  125 LYS  HG+         125 LYS  HE+         3.00    (#    378:20        Unique  2.01, 3.14 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1989,1990,
 &end
#
#   58 ILE  QG2          49 LYS  HE+         3.00    (#    379:20        Unique  1.99, 3.71 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 964, 965, 966,
 igr2= 809, 810,
 &end
#
#   47 LYS  HD+          47 LYS  HE+         3.00    (#    380:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 760, 761,
 igr2= 763, 764,
 &end
#
#   47 LYS  HG+          47 LYS  HE+         3.00    (#    381:20        Unique  1.94, 3.14 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 763, 764,
 &end
#
#   50 LYS  HB+          50 LYS  HE+         4.00    (#    383:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 822, 823,
 igr2= 831, 832,
 &end
#
#   50 LYS  HD+          50 LYS  HE+         3.00    (#    384:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 831, 832,
 &end
#
#   50 LYS  HD-          50 LYS  HE+         3.00    (#    385:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 828, 829,
 igr2= 831, 832,
 &end
#
#    0 AMB  20-2:386      0 AMB  20-1:386    3.00    (#    386:20        Double  0.00, 0.00  )
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 825, 826, 825, 826,
 igr2= 831, 832, 831, 832,
 &end
#
#   75 LEU  MDY          75 LEU  HB-         3.00    (#    387:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#   75 LEU  HA           75 LEU  HB-         3.00    (#    388:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 388, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#   75 LEU  HG           75 LEU  HB-         3.00    (#    389:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 389, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:390      0 AMB  20-1:390    3.00    (#    390:20        Double  0.00, 0.00  )
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1550,1551,1552,1554,1555,1556,1264,1265,
 igr2=1545,1546,1545,1546,
 &end
#
#    0 AMB  20-2:391      0 AMB  20-1:391    5.00    (#    391:20        Double  0.00, 0.00  )
 &rst
  ixpk= 391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,
 igr2=1545,1546,1545,1546,
 &end
#
#   75 LEU  HA           75 LEU  HB+         3.00    (#    392:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 392, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:393      0 AMB  20-1:393    3.00    (#    393:20        Double  0.00, 0.00  )
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1216,1217,1218,1220,1221,1222,1959,1960,
 igr2=1211,1212,1899,1900,
 &end
#
#    0 AMB  20-2:394      0 AMB  20-1:394    3.00    (#    394:20        Double  0.00, 0.00  )
 &rst
  ixpk= 394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1899,1900,1899,1900,
 &end
#
#   97 LEU  HA           97 LEU  HB-         3.50    (#    395:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 395, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   97 LEU  HG           97 LEU  HB-         3.00    (#    396:20        Unique  2.22, 2.51 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1545,1546,
 &end
#
#    0 AMB  20-2:397     97 LEU  HB-         3.00    (#    397:20        Single  0.00, 0.00  )
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1550,1551,1552,1554,1555,1556,1264,1265,
 igr2=1545,1546,
 &end
#
#  117 LEU  HA          120 LEU  HB-         4.00    (#    398:20        Unique  2.22, 3.68 A)
 &rst
  ixpk= 398, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#    0 AMB  20-2:399    120 LEU  HB-         3.00    (#    399:20        Single  0.00, 0.00  )
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1899,1900,
 &end
#
#   49 LYS  HB+          99 ASP  HB+         6.00    (#    400:20        Unique  3.78, 5.89 A)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 800, 801,
 igr2=1575,1576,
 &end
#
#   61 LYS  HB-          61 LYS  HE+         3.50    (#    401:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#   61 LYS  HD+          61 LYS  HE+         3.00    (#    402:20        Unique  2.22, 2.68 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:403      0 AMB  20-1:403    3.00    (#    403:20        Double  0.00, 0.00  )
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1014,1015,1014,1015,
 igr2=1020,1021,1020,1021,
 &end
#
#   63 VAL  MGY          61 LYS  HE+         4.00    (#    404:20        Unique  3.34, 5.51 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1020,1021,
 &end
#
#   61 LYS  HD+          61 LYS  HE-         3.00    (#    405:20        Unique  2.22, 2.68 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:406     61 LYS  HE-         4.00    (#    406:20        Single  0.00, 0.00  )
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1014,1015,1014,1015,
 igr2=1020,1021,
 &end
#
#   63 VAL  MGY          61 LYS  HE-         5.00    (#    407:20        Unique  3.34, 5.51 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1020,1021,
 &end
#
#   61 LYS  HB-          61 LYS  HE-         3.50    (#    408:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#   61 LYS  HB+          61 LYS  HE-         4.00    (#    409:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:410      0 AMB  20-1:410    5.00    (#    410:20        Double  0.00, 0.00  )
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1395,1396,1499,
 igr2=1359,1360,1281,1282,
 &end
#
#  105 VAL  MGY          44 PHE  HB+         3.00    (#    412:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2= 710, 711,
 &end
#
#   89 ASP  HA           89 ASP  HB+         3.50    (#    413:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 413, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1426,1427,
 &end
#
#   89 ASP  HA           89 ASP  HB-         3.50    (#    414:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 414, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1426,1427,
 &end
#
#   82 VAL  MGX          93 TYR  HB+         6.00    (#    417:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1478,1479,
 &end
#
#   82 VAL  MGX          93 TYR  HB-         6.00    (#    418:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1478,1479,
 &end
#
#  107 ASP  HA          107 ASP  HB-         3.00    (#    422:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 422, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#    0 AMB  20-2:423      0 AMB  20-1:423    3.00    (#    423:20        Double  0.00, 0.00  )
 &rst
  ixpk= 423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 583,1833,
 igr2= 585, 586,1835,1836,
 &end
#
#  114 ALA  HA          117 LEU  HB-         4.00    (#    424:20        Unique  1.98, 3.36 A)
 &rst
  ixpk= 424, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HB-         3.00    (#    425:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1835,1836,
 &end
#
#  117 LEU  HG          117 LEU  HB+         3.00    (#    426:20        Unique  2.40, 2.76 A)
 &rst
  ixpk= 426, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1835,1836,
 &end
#
#  114 ALA  HA          117 LEU  HB+         4.00    (#    427:20        Unique  1.98, 3.36 A)
 &rst
  ixpk= 427, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1835,1836,
 &end
#
#  117 LEU  HA          117 LEU  HB+         3.00    (#    428:20        Unique  2.48, 2.78 A)
 &rst
  ixpk= 428, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HB+         3.00    (#    429:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1835,1836,
 &end
#
#    4 VAL  MGX         122 ARG  HD+         3.00    (#    431:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  48,  49,  50,  52,  53,  54,
 igr2=1934,1935,
 &end
#
#   36 LEU  HA           36 LEU  HB+         4.00    (#    433:20        Unique  2.35, 2.75 A)
 &rst
  ixpk= 433, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 585, 586,
 &end
#
#   36 LEU  MDX          36 LEU  HB+         3.00    (#    434:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#   36 LEU  MDY          36 LEU  HB+         3.00    (#    435:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:436      0 AMB  20-1:436    4.00    (#    436:20        Double  0.00, 0.00  )
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 igr2= 339, 340, 339, 340,
 &end
#
#   21 ASP  HA           21 ASP  HB+         3.00    (#    437:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 437, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 339, 340,
 &end
#
#   21 ASP  HA           21 ASP  HB-         3.00    (#    438:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 438, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 339, 340,
 &end
#
#    0 AMB  20-2:439     21 ASP  HB-         4.00    (#    439:20        Single  0.00, 0.00  )
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 igr2= 339, 340,
 &end
#
#   46 GLY  HA+         103 ILE  HB          4.50    (#    440:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 745, 746,
 &end
#
#   45 MET  HB-         103 ILE  HB          4.00    (#    441:20        Unique  4.20, 4.52 A)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#  102 ALA  HA          103 ILE  HB          5.00    (#    442:20        Unique  4.30, 4.45 A)
 &rst
  ixpk= 442, nxpk= 20, iat=1619,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 ILE  HA          103 ILE  HB          3.00    (#    443:20        Unique  2.94, 2.99 A)
 &rst
  ixpk= 443, nxpk= 20, iat=1629,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 MET  HG-         103 ILE  HB          3.00    (#    444:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 733, 734,
 &end
#
#   45 MET  ME          103 ILE  HB          4.00    (#    445:20        Unique  1.91, 3.13 A)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 737, 738, 739,
 &end
#
#  103 ILE  HG1+        103 ILE  HB          3.00    (#    446:20        Unique  2.47, 2.79 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1637,1638,
 &end
#
#  103 ILE  QG2         103 ILE  HB          4.00    (#    447:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#  108 ASP  HA          108 ASP  HB-         3.00    (#    448:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 448, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#   39 THR  MG2         108 ASP  HB-         3.00    (#    449:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 630, 631, 632,
 igr2=1702,1703,
 &end
#
#   40 LEU  HA           40 LEU  HB+         3.50    (#    450:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 450, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:451      0 AMB  20-1:451    3.00    (#    451:20        Double  0.00, 0.00  )
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
       652, 653,
 igr2= 642, 643, 642, 643,
 &end
#
#    0 AMB  20-2:452     40 LEU  HB-         3.00    (#    452:20        Single  0.00, 0.00  )
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
       652, 653,
 igr2= 642, 643,
 &end
#
#   40 LEU  HA           40 LEU  HB-         3.50    (#    453:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 453, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:454     40 LEU  HB-         5.50    (#    454:20        Single  0.00, 0.00  )
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
 igr2= 642, 643,
 &end
#
#   35 TYR  HA           35 TYR  HB+         3.00    (#    458:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 458, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 564, 565,
 &end
#
#   18 ILE  QG2          35 TYR  HB-         6.00    (#    459:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 287, 288, 289,
 igr2= 564, 565,
 &end
#
#  104 ASP  HA          104 ASP  HB+         3.00    (#    460:20        Unique  2.45, 2.80 A)
 &rst
  ixpk= 460, nxpk= 20, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1650,1651,
 &end
#
#  103 ILE  QG2         104 ASP  HB+         3.00    (#    461:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1633,1634,1635,
 igr2=1650,1651,
 &end
#
#    0 AMB  20-2:463      0 AMB  20-1:463    3.00    (#    463:20        Double  0.00, 0.00  )
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1648, 602,
 igr2=1650,1651, 676, 677,
 &end
#
#  103 ILE  QG2         104 ASP  HB-         3.00    (#    464:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1633,1634,1635,
 igr2=1650,1651,
 &end
#
#  103 ILE  HB          104 ASP  HB-         5.50    (#    465:20        Unique  3.76, 4.89 A)
 &rst
  ixpk= 465, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1650,1651,
 &end
#
#   58 ILE  HA           58 ILE  HB          3.00    (#    467:20        Unique  2.96, 2.99 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   58 ILE  HG1-         58 ILE  HB          3.00    (#    468:20        Unique  2.24, 2.49 A)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 968, 969,
 &end
#
#   58 ILE  HG1+         58 ILE  HB          3.00    (#    469:20        Unique  2.24, 2.49 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 968, 969,
 &end
#
#   58 ILE  QG2          58 ILE  HB          3.00    (#    470:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 964, 965, 966,
 &end
#
#    0 AMB  20-2:471     58 ILE  HB          6.00    (#    471:20        Single  0.00, 0.00  )
 &rst
  ixpk= 471, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 803, 804, 822, 823,
 &end
#
#  100 ILE  HG1-        100 ILE  HB          3.00    (#    473:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#    0 AMB  20-2:474    100 ILE  HB          3.00    (#    474:20        Single  0.00, 0.00  )
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1550,1551,1552,1554,1555,1556,1840,1841,1842,1844,
      1845,1846,1545,1546,
 &end
#
#  100 ILE  HG1+        100 ILE  HB          3.00    (#    476:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HB          3.00    (#    477:20        Unique  2.38, 2.63 A)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#    0 AMB  20-2:478    100 ILE  HB          4.00    (#    478:20        Single  0.00, 0.00  )
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,1304,1305,1306,1308,
      1309,1310,
 &end
#
#   14 ILE  HA           14 ILE  HB          3.50    (#    479:20        Unique  2.69, 2.81 A)
 &rst
  ixpk= 479, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ILE  QD1          14 ILE  HB          3.80    (#    480:20        Unique  2.38, 3.24 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 231, 232, 233,
 &end
#
#   14 ILE  QG2          14 ILE  HB          3.00    (#    481:20        Unique  2.32, 2.63 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 224, 225, 226,
 &end
#
#   11 GLU  HA           14 ILE  HB          4.00    (#    482:20        Unique  3.50, 4.19 A)
 &rst
  ixpk= 482, nxpk= 20, iat= 164, 222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 ASP  HA           71 ASP  HB+         3.00    (#    483:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 483, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1161,1162,
 &end
#
#   71 ASP  HA           71 ASP  HB-         3.00    (#    484:20        Unique  2.35, 2.56 A)
 &rst
  ixpk= 484, nxpk= 20, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1161,1162,
 &end
#
#  113 ILE  QG2         113 ILE  HB          3.00    (#    485:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1772,1773,1774,
 &end
#
#  113 ILE  HG1-        113 ILE  HB          3.00    (#    486:20        Unique  2.66, 2.84 A)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1776,1777,
 &end
#
#  113 ILE  QD1         113 ILE  HB          3.00    (#    487:20        Unique  2.03, 2.89 A)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1779,1780,1781,
 &end
#
#   85 ILE  HA           85 ILE  HB          3.00    (#    488:20        Unique  2.48, 2.50 A)
 &rst
  ixpk= 488, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1-         85 ILE  HB          3.00    (#    489:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         85 ILE  HB          3.00    (#    490:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  QG2          85 ILE  HB          3.00    (#    491:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1373,1374,1375,
 &end
#
#   14 ILE  HA           18 ILE  HB          5.00    (#    492:20        Unique  2.94, 3.68 A)
 &rst
  ixpk= 492, nxpk= 20, iat= 220, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  HG1+         18 ILE  HB          4.50    (#    493:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 291, 292,
 &end
#
#   18 ILE  QD1          18 ILE  HB          4.50    (#    494:20        Unique  2.35, 3.23 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  HG1-         18 ILE  HB          4.50    (#    495:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 291, 292,
 &end
#
#   18 ILE  QG2          18 ILE  HB          4.50    (#    496:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 287, 288, 289,
 &end
#
#   34 TYR  HA           34 TYR  HB+         3.00    (#    497:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 497, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 543, 544,
 &end
#
#   34 TYR  HA           34 TYR  HB-         3.50    (#    498:20        Unique  2.64, 2.82 A)
 &rst
  ixpk= 498, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   25 LYS  HG-          26 GLU  HG+         4.20    (#    499:20        Unique  2.09, 3.53 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 391, 392,
 igr2= 413, 414,
 &end
#
#   19 ILE  QG2          19 ILE  HB          3.00    (#    500:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 306, 307, 308,
 &end
#
#   26 GLU  HA           26 GLU  HG+         3.00    (#    502:20        Unique  2.20, 2.84 A)
 &rst
  ixpk= 502, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   19 ILE  HG1-         19 ILE  HB          3.00    (#    503:20        Unique  2.25, 2.60 A)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 310, 311,
 &end
#
#   22 ALA  MB           19 ILE  HB          3.00    (#    504:20        Unique  1.96, 3.00 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  20-2:506      0 AMB  20-1:506    4.00    (#    506:20        Double  0.00, 0.00  )
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 803, 804, 822, 823,
 igr2= 999,1000, 999,1000,
 &end
#
#   47 LYS  HE+          60 GLU  HG-         5.80    (#    508:20        Unique  3.83, 6.36 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 763, 764,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:509     60 GLU  HG-         5.00    (#    509:20        Single  0.00, 0.00  )
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 803, 804, 822, 823,
 igr2= 999,1000,
 &end
#
#   22 ALA  MB           27 GLU  HG-         5.00    (#    510:20        Unique  4.16, 5.32 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 428, 429,
 &end
#
#   27 GLU  HA           27 GLU  HG-         3.50    (#    511:20        Unique  3.16, 3.50 A)
 &rst
  ixpk= 511, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 428, 429,
 &end
#
#   26 GLU  HB-          27 GLU  HG-         4.00    (#    512:20        Unique  3.27, 4.79 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 410, 411,
 igr2= 428, 429,
 &end
#
#   64 GLU  HB-          64 GLU  HG+         3.00    (#    513:20        Unique  2.21, 2.69 A)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1063,1064,
 igr2=1066,1067,
 &end
#
#    0 AMB  20-2:514      0 AMB  20-1:514    3.00    (#    514:20        Double  0.00, 0.00  )
 &rst
  ixpk= 514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 igr2=1066,1067,1066,1067,
 &end
#
#    0 AMB  20-2:515      0 AMB  20-1:515    3.00    (#    515:20        Double  0.00, 0.00  )
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 964, 965, 966,1099,1100,1101,1103,1104,1105,1099,
      1100,1101,1103,1104,1105,
 igr2= 999,1000,1066,1067,
 &end
#
#   69 ALA  HA           81 GLU  HG+         4.00    (#    518:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 518, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   70 PRO  HD-          81 GLU  HG+         5.50    (#    519:20        Unique  3.64, 4.92 A)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1144,1145,
 igr2=1321,1322,
 &end
#
#   69 ALA  HA           81 GLU  HG-         4.00    (#    520:20        Unique  2.32, 3.60 A)
 &rst
  ixpk= 520, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:521     81 GLU  HG-         5.00    (#    521:20        Single  0.00, 0.00  )
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1321,1322,
 &end
#
#   69 ALA  MB           81 GLU  HG-         4.50    (#    522:20        Unique  2.02, 4.56 A)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1137,1138,1139,
 igr2=1321,1322,
 &end
#
#    0 AMB  20-2:523      0 AMB  20-1:523    7.00    (#    523:20        Double  0.00, 0.00  )
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 224, 225, 226, 285,
 igr2= 244, 245, 244, 245,
 &end
#
#   15 GLU  HA           15 GLU  HG+         3.80    (#    525:20        Unique  2.80, 3.30 A)
 &rst
  ixpk= 525, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 244, 245,
 &end
#
#   15 GLU  HB-          15 GLU  HG+         3.00    (#    526:20        Unique  2.28, 2.72 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 241, 242,
 igr2= 244, 245,
 &end
#
#   16 THR  MG2          15 GLU  HG+         4.00    (#    527:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 258, 259, 260,
 igr2= 244, 245,
 &end
#
#    4 VAL  HA            5 GLU  HG-         6.00    (#    528:20        Unique  4.59, 5.75 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  65,  66,
 &end
#
#    5 GLU  HA            5 GLU  HG-         5.00    (#    529:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HG-         5.00    (#    530:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  62,  63,
 igr2=  65,  66,
 &end
#
#    5 GLU  HB-           5 GLU  HG-         5.00    (#    531:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  62,  63,
 igr2=  65,  66,
 &end
#
#    5 GLU  HA            5 GLU  HG+         5.00    (#    532:20        Unique  2.39, 3.72 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#    3 SER  HB+           5 GLU  HG+         7.00    (#    533:20        Unique  3.75, 6.05 A)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  35,  36,
 igr2=  65,  66,
 &end
#
#    0 AMB  20-2:534      0 AMB  20-1:534    3.00    (#    534:20        Double  0.00, 0.00  )
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 359, 337,
 igr2= 364, 365, 364, 365,
 &end
#
#    0 AMB  20-2:536      0 AMB  20-1:536    5.00    (#    536:20        Double  0.00, 0.00  )
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 359, 268,
 igr2= 364, 365, 273, 274,
 &end
#
#   63 VAL  MGY          63 VAL  HB          3.00    (#    537:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          63 VAL  HB          3.00    (#    538:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   73 GLU  HA           73 GLU  HG-         4.00    (#    539:20        Unique  2.05, 3.11 A)
 &rst
  ixpk= 539, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1188,1189,
 &end
#
#    0 AMB  20-2:540      0 AMB  20-1:540    5.00    (#    540:20        Double  0.00, 0.00  )
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1= 198, 199, 877, 878, 270, 271,
 igr2= 273, 274, 984, 985, 273, 274,
 &end
#
#    0 AMB  20-2:541      0 AMB  20-1:541    6.00    (#    541:20        Double  0.00, 0.00  )
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1137,1138,1139, 925, 926, 927,
 igr2=1188,1189, 984, 985,
 &end
#
#   17 GLU  HA           17 GLU  HG+         5.00    (#    542:20        Unique  2.77, 3.33 A)
 &rst
  ixpk= 542, nxpk= 20, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 273, 274,
 &end
#
#   59 GLU  HA           59 GLU  HG-         3.00    (#    544:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 544, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 984, 985,
 &end
#
#   53 ARG  HB-          59 GLU  HG-         4.20    (#    545:20        Unique  1.98, 5.37 A)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 877, 878,
 igr2= 984, 985,
 &end
#
#   66 LEU  MDX          43 PRO  HB+         4.00    (#    546:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2= 699, 700,
 &end
#
#   43 PRO  HD+          43 PRO  HB+         4.50    (#    547:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 693, 694,
 igr2= 699, 700,
 &end
#
#   41 GLU  HB-          41 GLU  HG+         3.00    (#    549:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   63 VAL  MGY          61 LYS  HB-         3.00    (#    553:20        Unique  2.95, 5.23 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1011,1012,
 &end
#
#  125 LYS  HG+         125 LYS  HB+         3.00    (#    554:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1980,1981,
 &end
#
#  125 LYS  HG+         125 LYS  HB-         3.00    (#    556:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1983,1984,
 igr2=1980,1981,
 &end
#
#   48 TRP  HB+          61 LYS  HB-         3.50    (#    557:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#   61 LYS  HE-          61 LYS  HB-         3.50    (#    558:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1020,1021,
 igr2=1011,1012,
 &end
#
#   61 LYS  HD+          61 LYS  HB-         3.00    (#    559:20        Unique  2.34, 3.34 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1017,1018,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:560     61 LYS  HB-         3.00    (#    560:20        Single  0.00, 0.00  )
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1014,1015,1014,1015,
 igr2=1011,1012,
 &end
#
#   84 ASP  HB-          61 LYS  HB-         7.50    (#    561:20        Unique  5.49, 7.00 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1=1359,1360,
 igr2=1011,1012,
 &end
#
#   48 TRP  HB+          61 LYS  HB+         4.00    (#    562:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#   61 LYS  HE-          61 LYS  HB+         4.00    (#    563:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1020,1021,
 igr2=1011,1012,
 &end
#
#   48 TRP  HB-          61 LYS  HB+         3.50    (#    564:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 776, 777,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:565      0 AMB  20-1:565    3.00    (#    565:20        Double  0.00, 0.00  )
 &rst
  ixpk= 565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1014,1015,1014,1015,
 igr2=1011,1012,1011,1012,
 &end
#
#   63 VAL  MGY          61 LYS  HB+         4.50    (#    566:20        Unique  2.95, 5.23 A)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1011,1012,
 &end
#
#    8 GLU  HA            8 GLU  HG+         3.80    (#    568:20        Unique  2.61, 3.15 A)
 &rst
  ixpk= 568, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 116, 117,
 &end
#
#    8 GLU  HB-           8 GLU  HG+         3.00    (#    569:20        Unique  2.21, 2.69 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 113, 114,
 igr2= 116, 117,
 &end
#
#   63 VAL  MGY          82 VAL  HB          4.00    (#    570:20        Unique  2.00, 4.44 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    8 GLU  HB-          11 GLU  HG+         6.00    (#    571:20        Unique  4.33, 6.39 A)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 113, 114,
 igr2= 169, 170,
 &end
#
#    8 GLU  HA           11 GLU  HG-         4.00    (#    572:20        Unique  3.05, 4.36 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 169, 170,
 &end
#
#    0 AMB  20-2:573     82 VAL  HB          3.00    (#    573:20        Single  0.00, 0.00  )
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   82 VAL  MGX          82 VAL  HB          3.00    (#    574:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   78 MET  HG-          78 MET  HB+         3.00    (#    575:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1267,1268,
 igr2=1264,1265,
 &end
#
#   76 LYS  HG+          76 LYS  HB+         3.00    (#    577:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1233,1234,
 igr2=1230,1231,
 &end
#
#   80 VAL  MGX          80 VAL  HB          3.00    (#    579:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#  109 THR  HB          105 VAL  HB          4.30    (#    580:20        Unique  1.96, 2.17 A)
 &rst
  ixpk= 580, nxpk= 20, iat=1714,1662, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  105 VAL  MGY         105 VAL  HB          3.00    (#    581:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   47 LYS  HE+          47 LYS  HB+         4.70    (#    582:20        Unique  2.79, 4.20 A)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 763, 764,
 igr2= 754, 755,
 &end
#
#  101 GLU  HB+          47 LYS  HB-         3.00    (#    584:20        Unique  1.82, 2.79 A)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1606,1607,
 igr2= 754, 755,
 &end
#
#   47 LYS  HG+          47 LYS  HB-         3.00    (#    585:20        Unique  2.30, 2.56 A)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#    4 VAL  HA            4 VAL  HB          3.00    (#    588:20        Unique  2.44, 2.87 A)
 &rst
  ixpk= 588, nxpk= 20, iat=  44,  46, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:589      4 VAL  HB          4.00    (#    589:20        Single  0.00, 0.00  )
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  25,  26,  27,1918,1919,1920,
 &end
#
#    4 VAL  MGY           4 VAL  HB          3.00    (#    590:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:591     92 VAL  HB          3.00    (#    591:20        Single  0.00, 0.00  )
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   30 MET  ME           30 MET  HB+         4.00    (#    592:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 481, 482, 483,
 igr2= 474, 475,
 &end
#
#   30 MET  HA           30 MET  HB-         3.50    (#    593:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 593, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#  110 GLN  HA          110 GLN  HG+         3.00    (#    594:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 594, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HG+         3.50    (#    595:20        Unique  2.23, 2.56 A)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1728,1729,
 igr2=1731,1732,
 &end
#
#  102 ALA  MB          110 GLN  HG+         5.00    (#    596:20        Unique  1.97, 4.17 A)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1621,1622,1623,
 igr2=1731,1732,
 &end
#
#  105 VAL  MGX         110 GLN  HG+         4.00    (#    597:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:598      0 AMB  20-1:598    5.00    (#    598:20        Double  0.00, 0.00  )
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1688,1629,
 igr2=1731,1732,1731,1732,
 &end
#
#   50 LYS  HA           50 LYS  HB+         3.00    (#    600:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#   50 LYS  HA           50 LYS  HB-         3.00    (#    601:20        Unique  2.46, 2.78 A)
 &rst
  ixpk= 601, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#   30 MET  HG+          30 MET  HB+         3.00    (#    602:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG-          30 MET  HB+         3.00    (#    603:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG+          30 MET  HB-         3.00    (#    604:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  HG-          30 MET  HB-         4.00    (#    605:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 477, 478,
 igr2= 474, 475,
 &end
#
#   30 MET  ME           30 MET  HB-         4.00    (#    606:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 481, 482, 483,
 igr2= 474, 475,
 &end
#
#   50 LYS  HE+          50 LYS  HB+         4.00    (#    607:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 831, 832,
 igr2= 822, 823,
 &end
#
#   85 ILE  QD1          45 MET  HB-         4.00    (#    609:20        Unique  2.25, 3.83 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2= 730, 731,
 &end
#
#   45 MET  HG+          45 MET  HB-         3.00    (#    610:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   54 LYS  HA           54 LYS  HB+         3.00    (#    612:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 901, 902,
 &end
#
#   55 THR  MG2          54 LYS  HB+         6.00    (#    613:20        Unique  3.31, 5.13 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 925, 926, 927,
 igr2= 901, 902,
 &end
#
#   51 LYS  HG+          51 LYS  HB+         3.00    (#    614:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#   51 LYS  HA           51 LYS  HB-         3.00    (#    615:20        Unique  2.29, 2.81 A)
 &rst
  ixpk= 615, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 844, 845,
 &end
#
#   51 LYS  HG+          51 LYS  HB-         3.00    (#    616:20        Unique  2.21, 2.65 A)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 847, 848,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:617     51 LYS  HB-         5.50    (#    617:20        Single  0.00, 0.00  )
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 937, 938, 820,
 igr2= 844, 845,
 &end
#
#   45 MET  HG-          45 MET  HB-         3.00    (#    621:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   45 MET  HG+          45 MET  HB+         3.00    (#    622:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   45 MET  HG-          45 MET  HB+         3.00    (#    623:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 733, 734,
 igr2= 730, 731,
 &end
#
#   88 LYS  HA           88 LYS  HB+         3.50    (#    628:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 628, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1404,1405,
 &end
#
#   88 LYS  HE+          88 LYS  HB+         4.50    (#    629:20        Unique  2.00, 3.52 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1413,1414,
 igr2=1404,1405,
 &end
#
#   88 LYS  HG+          88 LYS  HB+         3.50    (#    631:20        Unique  2.22, 2.60 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1407,1408,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:632      0 AMB  20-1:632    3.50    (#    632:20        Double  0.00, 0.00  )
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 904, 905,1407,1408,
 igr2= 901, 902,1404,1405,
 &end
#
#   84 ASP  HB+          88 LYS  HB-         5.50    (#    633:20        Unique  3.40, 5.16 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1359,1360,
 igr2=1404,1405,
 &end
#
#   88 LYS  HA           88 LYS  HB-         3.50    (#    635:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 635, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1404,1405,
 &end
#
#   45 MET  HB-          45 MET  HG+         3.00    (#    637:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 730, 731,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:638      0 AMB  20-1:638    3.00    (#    638:20        Double  0.00, 0.00  )
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 730, 731, 737, 738, 739,
 igr2= 733, 734, 733, 734,
 &end
#
#  103 ILE  HB           45 MET  HG+         3.00    (#    639:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 639, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:640      0 AMB  20-1:640    4.00    (#    640:20        Double  0.00, 0.00  )
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1035,1036,1037,1377,1378,
 igr2= 733, 734, 733, 734,
 &end
#
#   85 ILE  QD1          45 MET  HG+         4.00    (#    641:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2= 733, 734,
 &end
#
#  103 ILE  HB           45 MET  HG-         3.00    (#    642:20        Unique  1.86, 2.42 A)
 &rst
  ixpk= 642, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 733, 734,
 &end
#
#   44 PHE  HB-          45 MET  HG-         7.50    (#    643:20        Unique  5.25, 6.48 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
 igr1= 710, 711,
 igr2= 733, 734,
 &end
#
#   45 MET  HB-          45 MET  HG-         3.00    (#    644:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 730, 731,
 igr2= 733, 734,
 &end
#
#    0 AMB  20-2:645     45 MET  HG-         3.00    (#    645:20        Single  0.00, 0.00  )
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 730, 731, 737, 738, 739,
 igr2= 733, 734,
 &end
#
#   85 ILE  QD1          45 MET  HG-         4.00    (#    646:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2= 733, 734,
 &end
#
#   23 GLU  HA           23 GLU  HB-         3.00    (#    650:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 650, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 361, 362,
 &end
#
#   49 LYS  HA           49 LYS  HB-         3.00    (#    652:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 652, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 800, 801,
 &end
#
#   70 PRO  HA           70 PRO  HB+         3.00    (#    653:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 653, nxpk= 20, iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1150,1151,
 &end
#
#   23 GLU  HG+          23 GLU  HB+         3.00    (#    655:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 364, 365,
 igr2= 361, 362,
 &end
#
#   78 MET  HB-          78 MET  HG+         3.00    (#    656:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#   78 MET  HB-          78 MET  HG-         3.00    (#    657:20        Unique  2.27, 2.57 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1264,1265,
 igr2=1267,1268,
 &end
#
#    0 AMB  20-2:663      0 AMB  20-1:663    3.50    (#    663:20        Double  0.00, 0.00  )
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1550,1551,1552,1554,1555,1556,
 igr2=1063,1064,1063,1064,1123,1124,
 &end
#
#    0 AMB  20-2:664     64 GLU  HB-         4.00    (#    664:20        Single  0.00, 0.00  )
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 igr2=1063,1064,
 &end
#
#   85 ILE  QD1          64 GLU  HB-         4.00    (#    665:20        Unique  2.72, 4.43 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1380,1381,1382,
 igr2=1063,1064,
 &end
#
#   49 LYS  HE+         101 GLU  HB+         5.50    (#    668:20        Unique  3.32, 5.00 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 809, 810,
 igr2=1606,1607,
 &end
#
#   49 LYS  HE+         101 GLU  HB-         4.00    (#    669:20        Unique  3.32, 5.00 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 809, 810,
 igr2=1606,1607,
 &end
#
#   47 LYS  HE+          60 GLU  HB+         5.00    (#    671:20        Unique  1.93, 5.20 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 763, 764,
 igr2= 996, 997,
 &end
#
#   47 LYS  HG+          60 GLU  HB+         3.50    (#    672:20        Unique  1.84, 3.26 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 757, 758,
 igr2= 996, 997,
 &end
#
#   59 GLU  HA           59 GLU  HB+         3.00    (#    674:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 674, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   59 GLU  HA           59 GLU  HB-         3.00    (#    675:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 675, nxpk= 20, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 981, 982,
 &end
#
#   63 VAL  MGX          48 TRP  HB+         4.00    (#    677:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGY          48 TRP  HB-         5.00    (#    679:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGX          48 TRP  HB-         4.00    (#    680:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#   63 VAL  MGY          48 TRP  HB+         4.00    (#    681:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 776, 777,
 &end
#
#  100 ILE  QD1          48 TRP  HB+         4.00    (#    682:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1596,1597,1598,
 igr2= 776, 777,
 &end
#
#  100 ILE  QD1          48 TRP  HB-         4.00    (#    683:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1596,1597,1598,
 igr2= 776, 777,
 &end
#
#    6 ARG  HD+           6 ARG  HB+         4.00    (#    684:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD-           6 ARG  HB+         4.00    (#    685:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HA            6 ARG  HB-         4.00    (#    686:20        Unique  2.24, 2.46 A)
 &rst
  ixpk= 686, nxpk= 20, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD+           6 ARG  HB-         3.00    (#    687:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#    6 ARG  HD-           6 ARG  HB-         3.00    (#    689:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  77,  78,
 &end
#
#   20 VAL  HA           20 VAL  HB          3.00    (#    693:20        Unique  2.68, 2.99 A)
 &rst
  ixpk= 693, nxpk= 20, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:694     20 VAL  HB          3.00    (#    694:20        Single  0.00, 0.00  )
 &rst
  ixpk= 694, nxpk= 20, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#    0 AMB  20-2:695      0 AMB  20-1:695    3.00    (#    695:20        Double  0.00, 0.00  )
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1318,1319,1318,1319,
 &end
#
#    0 AMB  20-2:696     81 GLU  HB-         3.00    (#    696:20        Single  0.00, 0.00  )
 &rst
  ixpk= 696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:699      0 AMB  20-1:699    3.00    (#    699:20        Double  0.00, 0.00  )
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 239, 423,
 igr2= 241, 242, 425, 426,
 &end
#
#   22 ALA  MB           27 GLU  HB+         3.00    (#    700:20        Unique  1.88, 3.19 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 351, 352, 353,
 igr2= 425, 426,
 &end
#
#    0 AMB  20-2:701      0 AMB  20-1:701    4.00    (#    701:20        Double  0.00, 0.00  )
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 258, 259, 260, 313, 314, 315,
 igr2= 241, 242, 241, 242,
 &end
#
#    5 GLU  HA            5 GLU  HB+         4.50    (#    702:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  62,  63,
 &end
#
#   15 GLU  HA           15 GLU  HB-         3.00    (#    704:20        Unique  2.25, 2.61 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 241, 242,
 &end
#
#    0 AMB  20-2:705     15 GLU  HB-         3.00    (#    705:20        Single  0.00, 0.00  )
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 258, 259, 260, 313, 314, 315,
 igr2= 241, 242,
 &end
#
#  113 ILE  HA          113 ILE  HG1+        3.00    (#    706:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 706, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1776,1777,
 &end
#
#  113 ILE  QD1         113 ILE  HG1+        3.00    (#    708:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1779,1780,1781,
 igr2=1776,1777,
 &end
#
#    0 AMB  20-2:709      5 GLU  HB-         4.50    (#    709:20        Single  0.00, 0.00  )
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  65,  66,  65,  66,
 igr2=  62,  63,
 &end
#
#    5 GLU  HA            5 GLU  HB-         4.50    (#    710:20        Unique  2.35, 2.48 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  62,  63,
 &end
#
#   13 ARG  HG+          13 ARG  HB-         3.00    (#    711:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   13 ARG  HG-          13 ARG  HB-         3.00    (#    712:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   53 ARG  HA           53 ARG  HB+         3.00    (#    713:20        Unique  2.32, 2.75 A)
 &rst
  ixpk= 713, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 877, 878,
 &end
#
#   53 ARG  HA           53 ARG  HB-         3.00    (#    715:20        Unique  2.32, 2.75 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 877, 878,
 &end
#
#   97 LEU  MDX         113 ILE  HG1-        3.00    (#    716:20        Unique  2.00, 4.13 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1550,1551,1552,1554,1555,1556,
 igr2=1776,1777,
 &end
#
#  111 GLU  HA          111 GLU  HB+         3.00    (#    718:20        Unique  2.50, 2.78 A)
 &rst
  ixpk= 718, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#   73 GLU  HA           73 GLU  HB-         3.00    (#    719:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 719, nxpk= 20, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1185,1186,
 &end
#
#    0 AMB  20-2:720     13 ARG  HB-         3.00    (#    720:20        Single  0.00, 0.00  )
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 196, 140,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:722      0 AMB  20-1:722    3.00    (#    722:20        Double  0.00, 0.00  )
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 140, 196,
 igr2= 145, 146, 198, 199, 198, 199,
 &end
#
#   25 LYS  HE+          25 LYS  HD+         3.00    (#    723:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 397, 398,
 igr2= 394, 395,
 &end
#
#   96 LYS  HG-          96 LYS  HD+         3.00    (#    724:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1526,1527,
 igr2=1529,1530,
 &end
#
#   65 VAL  MGX          65 VAL  HB          3.00    (#    725:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   78 MET  ME           74 CYS  HB+         4.00    (#    727:20        Unique  2.00, 3.97 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:728      0 AMB  20-1:728    3.00    (#    728:20        Double  0.00, 0.00  )
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1211,1212,1233,1234,
 igr2=1236,1237,1236,1237,
 &end
#
#   58 ILE  QG2          49 LYS  HD+         4.00    (#    733:20        Unique  2.71, 4.86 A)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 964, 965, 966,
 igr2= 806, 807,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    3.00    (#    734:20        Double  0.00, 0.00  )
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1989,1990, 809, 810,
 igr2=1986,1987, 806, 807,
 &end
#
#    0 AMB  20-2:735      0 AMB  20-1:735    3.00    (#    735:20        Double  0.00, 0.00  )
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1983,1984, 847, 848,
 igr2=1986,1987, 850, 851,
 &end
#
#    0 AMB  20-2:736      0 AMB  20-1:736    5.50    (#    736:20        Double  0.00, 0.00  )
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 820, 937, 938,
 igr2= 850, 851, 850, 851,
 &end
#
#    0 AMB  20-2:737      0 AMB  20-1:737    3.00    (#    737:20        Double  0.00, 0.00  )
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 757, 758,1014,1015,1014,1015,
 igr2= 760, 761,1017,1018,1017,1018,
 &end
#
#   63 VAL  MGY          61 LYS  HD+         4.00    (#    738:20        Unique  2.31, 5.25 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1017,1018,
 &end
#
#    6 ARG  HA            6 ARG  HG+         4.50    (#    739:20        Unique  3.47, 3.86 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  80,  81,
 &end
#
#   50 LYS  HA           50 LYS  HD+         5.00    (#    740:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 740, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 828, 829,
 &end
#
#   50 LYS  HE+          50 LYS  HD+         3.00    (#    741:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 831, 832,
 igr2= 828, 829,
 &end
#
#   50 LYS  HB+          50 LYS  HD+         3.00    (#    742:20        Unique  2.03, 3.17 A)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 822, 823,
 igr2= 828, 829,
 &end
#
#   50 LYS  HE+          50 LYS  HD-         3.00    (#    743:20        Unique  2.22, 2.66 A)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 831, 832,
 igr2= 828, 829,
 &end
#
#   50 LYS  HB+          50 LYS  HD-         3.80    (#    744:20        Unique  2.03, 3.17 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 822, 823,
 igr2= 828, 829,
 &end
#
#    8 GLU  HB-          11 GLU  HB-         5.00    (#    745:20        Unique  3.45, 5.47 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 113, 114,
 igr2= 166, 167,
 &end
#
#   26 GLU  HA           26 GLU  HB+         3.00    (#    747:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#   26 GLU  HG+          26 GLU  HB+         3.00    (#    748:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 413, 414,
 igr2= 410, 411,
 &end
#
#   75 LEU  MDX          26 GLU  HB+         5.00    (#    749:20        Unique  2.94, 5.50 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 410, 411,
 &end
#
#    0 AMB  20-2:750      0 AMB  20-1:750    3.00    (#    750:20        Double  0.00, 0.00  )
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1688,1743,
 igr2=1728,1729,1728,1729,
 &end
#
#  105 VAL  MGX         110 GLN  HB+         3.00    (#    751:20        Unique  2.26, 4.98 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1728,1729,
 &end
#
#    0 AMB  20-2:752      0 AMB  20-1:752    3.00    (#    752:20        Double  0.00, 0.00  )
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1731,1732, 413, 414,
 igr2=1728,1729, 410, 411,
 &end
#
#   75 LEU  MDX          26 GLU  HB-         4.00    (#    753:20        Unique  2.94, 5.50 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 410, 411,
 &end
#
#   26 GLU  HA           26 GLU  HB-         3.00    (#    754:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#  107 ASP  HA          110 GLN  HB-         3.50    (#    756:20        Unique  3.00, 3.45 A)
 &rst
  ixpk= 756, nxpk= 20, iat=1688,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1728,1729,
 &end
#
#  110 GLN  HA          110 GLN  HB-         3.00    (#    757:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 757, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  105 VAL  MGX         110 GLN  HB-         4.00    (#    758:20        Unique  2.26, 4.98 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1728,1729,
 &end
#
#    6 ARG  HD+           6 ARG  HG+         3.00    (#    760:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#    6 ARG  HD-           6 ARG  HG+         3.00    (#    761:20        Unique  2.22, 2.65 A)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  83,  84,
 igr2=  80,  81,
 &end
#
#   11 GLU  HA           11 GLU  HB-         3.50    (#    762:20        Unique  2.33, 2.76 A)
 &rst
  ixpk= 762, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 166, 167,
 &end
#
#   11 GLU  HG+          11 GLU  HB-         3.50    (#    763:20        Unique  2.21, 2.68 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 169, 170,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:764      0 AMB  20-1:764    3.00    (#    764:20        Double  0.00, 0.00  )
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1144,1145,1726,
 igr2=1147,1148,1728,1729,
 &end
#
#   41 GLU  HA           41 GLU  HB+         3.00    (#    765:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 765, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 661, 662,
 &end
#
#   70 PRO  HD+          70 PRO  HG+         3.00    (#    768:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1144,1145,
 igr2=1147,1148,
 &end
#
#   70 PRO  HD+          70 PRO  HG-         3.00    (#    769:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1144,1145,
 igr2=1147,1148,
 &end
#
#   41 GLU  HA           41 GLU  HB-         3.00    (#    770:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 770, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 661, 662,
 &end
#
#   13 ARG  HA           13 ARG  HG-         4.00    (#    771:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 771, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   13 ARG  HD+          13 ARG  HG-         3.00    (#    772:20        Unique  2.32, 2.66 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 204, 205,
 igr2= 201, 202,
 &end
#
#   13 ARG  HD+          13 ARG  HG+         3.20    (#    773:20        Unique  2.32, 2.66 A)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 204, 205,
 igr2= 201, 202,
 &end
#
#   13 ARG  HB+          13 ARG  HG+         3.20    (#    774:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 198, 199,
 igr2= 201, 202,
 &end
#
#   40 LEU  HA           40 LEU  HG          3.00    (#    775:20        Unique  2.41, 2.64 A)
 &rst
  ixpk= 775, nxpk= 20, iat= 640, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  MG2          40 LEU  HG          4.00    (#    776:20        Unique  1.97, 3.14 A)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  HB-          40 LEU  HG          3.50    (#    777:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 642, 643,
 &end
#
#   58 ILE  HA           58 ILE  HG1-        3.00    (#    778:20        Unique  2.12, 2.96 A)
 &rst
  ixpk= 778, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 968, 969,
 &end
#
#    0 AMB  20-2:779     58 ILE  HG1-        3.00    (#    779:20        Single  0.00, 0.00  )
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 844, 845, 962,
 igr2= 968, 969,
 &end
#
#   58 ILE  QD1          58 ILE  HG1-        3.00    (#    780:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 971, 972, 973,
 igr2= 968, 969,
 &end
#
#   85 ILE  HB           85 ILE  HG1-        3.00    (#    781:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 781, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#   58 ILE  HA           58 ILE  HG1+        3.50    (#    782:20        Unique  2.12, 2.96 A)
 &rst
  ixpk= 782, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 968, 969,
 &end
#
#    0 AMB  20-2:783      0 AMB  20-1:783    3.00    (#    783:20        Double  0.00, 0.00  )
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 844, 845, 962,
 igr2= 968, 969, 968, 969,
 &end
#
#   58 ILE  QD1          58 ILE  HG1+        3.00    (#    784:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 971, 972, 973,
 igr2= 968, 969,
 &end
#
#   36 LEU  MDY          36 LEU  HG          3.00    (#    787:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   53 ARG  HD+          53 ARG  HG+         3.00    (#    791:20        Unique  2.22, 2.71 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 883, 884,
 igr2= 880, 881,
 &end
#
#   75 LEU  HA           75 LEU  HG          3.80    (#    792:20        Unique  3.12, 3.18 A)
 &rst
  ixpk= 792, nxpk= 20, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   75 LEU  MDY          75 LEU  HG          3.00    (#    793:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  MDX          75 LEU  HG          3.00    (#    794:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   85 ILE  HA           85 ILE  HG1+        4.00    (#    796:20        Unique  3.68, 3.71 A)
 &rst
  ixpk= 796, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1377,1378,
 &end
#
#   85 ILE  QG2          85 ILE  HG1+        3.00    (#    797:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1373,1374,1375,
 igr2=1377,1378,
 &end
#
#   36 LEU  MDX          36 LEU  HG          3.00    (#    800:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HA          117 LEU  HG          3.80    (#    801:20        Unique  2.56, 2.84 A)
 &rst
  ixpk= 801, nxpk= 20, iat=1833,1838, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  117 LEU  HB+         117 LEU  HG          3.00    (#    803:20        Unique  2.40, 2.76 A)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HG          3.00    (#    804:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:805     97 LEU  HG          3.00    (#    805:20        Single  0.00, 0.00  )
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1550,1551,1552,1554,1555,1556,1545,1546,
 &end
#
#    0 AMB  20-2:806     97 LEU  HG          3.00    (#    806:20        Single  0.00, 0.00  )
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,1548, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1550,1551,1552,1554,1555,1556,1264,1265,
 &end
#
#  103 ILE  HA          103 ILE  HG1-        3.00    (#    807:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 807, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1637,1638,
 &end
#
#  103 ILE  QD1         103 ILE  HG1-        3.00    (#    808:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2=1637,1638,
 &end
#
#  103 ILE  HA          103 ILE  HG1+        3.00    (#    809:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 809, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1637,1638,
 &end
#
#   97 LEU  HA           97 LEU  MDY         4.00    (#    810:20        Unique  1.94, 3.44 A)
 &rst
  ixpk= 810, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  113 ILE  HA           97 LEU  MDY         4.80    (#    811:20        Unique  1.92, 4.37 A)
 &rst
  ixpk= 811, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  20-2:812     97 LEU  MDY         3.00    (#    812:20        Single  0.00, 0.00  )
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1127,1128,1129,1548,1523,1524,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   97 LEU  HB+          97 LEU  MDY         3.00    (#    813:20        Unique  2.04, 3.43 A)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1545,1546,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  114 ALA  HA          117 LEU  HG          4.00    (#    815:20        Unique  3.10, 3.56 A)
 &rst
  ixpk= 815, nxpk= 20, iat=1787,1838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HB           19 ILE  HG1-        3.00    (#    816:20        Unique  2.25, 2.60 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#   15 GLU  HA           19 ILE  HG1+        4.00    (#    818:20        Unique  1.99, 3.30 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 310, 311,
 &end
#
#  103 ILE  QD1         103 ILE  HG1+        3.00    (#    819:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2=1637,1638,
 &end
#
#   96 LYS  HE+          96 LYS  HG+         4.00    (#    822:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1532,1533,
 igr2=1526,1527,
 &end
#
#  100 ILE  HB          100 ILE  HG1-        3.00    (#    823:20        Unique  2.24, 2.72 A)
 &rst
  ixpk= 823, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HG1-        3.50    (#    824:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1589,1590,1591,
 igr2=1593,1594,
 &end
#
#  100 ILE  QD1         100 ILE  HG1-        3.00    (#    825:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1596,1597,1598,
 igr2=1593,1594,
 &end
#
#    0 AMB  20-2:826      0 AMB  20-1:826    3.00    (#    826:20        Double  0.00, 0.00  )
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1587, 244, 245,
 igr2=1593,1594, 310, 311,
 &end
#
#    0 AMB  20-2:827      0 AMB  20-1:827    3.00    (#    827:20        Double  0.00, 0.00  )
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 igr2=1593,1594,1593,1594,
 &end
#
#  100 ILE  QD1         100 ILE  HG1+        3.00    (#    828:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1596,1597,1598,
 igr2=1593,1594,
 &end
#
#  100 ILE  QG2         100 ILE  HG1+        3.50    (#    829:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1589,1590,1591,
 igr2=1593,1594,
 &end
#
#   96 LYS  HE-          96 LYS  HG-         4.00    (#    830:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1532,1533,
 igr2=1526,1527,
 &end
#
#    0 AMB  20-2:831     96 LYS  HG-         3.00    (#    831:20        Single  0.00, 0.00  )
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1529,1530,1523,1524,
 igr2=1526,1527,
 &end
#
#   36 LEU  HG           40 LEU  MDX         4.00    (#    832:20        Unique  2.04, 3.57 A)
 &rst
  ixpk= 832, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:833     40 LEU  MDX         3.00    (#    833:20        Single  0.00, 0.00  )
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 640, 583,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:834     40 LEU  MDX         4.00    (#    834:20        Single  0.00, 0.00  )
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1776,1777,1123,1124,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:835     40 LEU  MDX         3.00    (#    835:20        Single  0.00, 0.00  )
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 645,1127,1128,1129,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  112 ALA  MB           40 LEU  MDX         3.00    (#    836:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1760,1761,1762,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB-          40 LEU  MDX         4.00    (#    837:20        Unique  1.95, 3.31 A)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 642, 643,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:839    120 LEU  MDY         4.00    (#    839:20        Single  0.00, 0.00  )
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1833,1564,1565,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    4 VAL  HB          122 ARG  HB+         6.00    (#    840:20        Unique  1.83, 4.50 A)
 &rst
  ixpk= 840, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.23,
 igr2=1928,1929,
 &end
#
#  120 LEU  HB+         120 LEU  MDY         3.00    (#    841:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  117 LEU  MDY         120 LEU  MDY         4.00    (#    842:20        Unique  3.16, 7.67 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:844     40 LEU  MDY         3.00    (#    844:20        Single  0.00, 0.00  )
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 640, 583,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:845     40 LEU  MDY         3.00    (#    845:20        Single  0.00, 0.00  )
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1776,1777,1123,1124,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:846     40 LEU  MDY         3.00    (#    846:20        Single  0.00, 0.00  )
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 645,1127,1128,1129,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  112 ALA  MB           40 LEU  MDY         3.00    (#    847:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1760,1761,1762,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:848     40 LEU  MDY         3.00    (#    848:20        Single  0.00, 0.00  )
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB-          40 LEU  MDY         3.80    (#    849:20        Unique  1.95, 3.31 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 642, 643,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   66 LEU  HA            0 AMB  20-1:850    4.00    (#    850:20        Single  0.00, 0.00  )
 &rst
  ixpk= 850, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   65 VAL  HA            0 AMB  20-1:851    5.50    (#    851:20        Single  0.00, 0.00  )
 &rst
  ixpk= 851, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#    0 AMB  20-2:853      0 AMB  20-1:853    5.00    (#    853:20        Double  0.00, 0.00  )
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75,
 igr1=1318,1319, 231, 232, 233,
 igr2=1099,1100,1101,1103,1104,1105, 291, 292,
 &end
#
#    0 AMB  20-2:854      0 AMB  20-1:854    3.00    (#    854:20        Double  0.00, 0.00  )
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1094,1095,1349,1350,1351,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#  117 LEU  HA          117 LEU  MDX         4.00    (#    855:20        Unique  1.97, 3.86 A)
 &rst
  ixpk= 855, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   18 ILE  QG2          18 ILE  HG1-        5.00    (#    857:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 288, 289,
 igr2= 291, 292,
 &end
#
#   36 LEU  HA           36 LEU  MDX         4.00    (#    858:20        Unique  2.04, 4.07 A)
 &rst
  ixpk= 858, nxpk= 20, iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   32 TRP  HB-          36 LEU  MDX         5.00    (#    859:20        Unique  2.90, 5.93 A)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 498, 499,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:860     36 LEU  MDX         3.00    (#    860:20        Single  0.00, 0.00  )
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 588, 604, 605,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   78 MET  ME           36 LEU  MDX         5.00    (#    861:20        Unique  3.33, 6.04 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1271,1272,1273,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB-          36 LEU  MDX         3.00    (#    862:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 585, 586,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#    0 AMB  20-2:863     36 LEU  MDX         4.00    (#    863:20        Single  0.00, 0.00  )
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1127,1128,1129,1548,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB+          36 LEU  MDX         3.00    (#    864:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 585, 586,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          18 ILE  HG1+        5.00    (#    867:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 287, 288, 289,
 igr2= 291, 292,
 &end
#
#  114 ALA  HA          117 LEU  MDX         3.00    (#    868:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 868, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HG          117 LEU  MDX         3.00    (#    869:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 869, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB-         117 LEU  MDX         3.00    (#    870:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB+         117 LEU  MDX         3.00    (#    871:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   76 LYS  HE+          76 LYS  HG+         3.00    (#    872:20        Unique  2.04, 3.25 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1239,1240,
 igr2=1233,1234,
 &end
#
#   76 LYS  HB+          76 LYS  HG+         3.00    (#    873:20        Unique  2.21, 2.67 A)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1230,1231,
 igr2=1233,1234,
 &end
#
#    0 AMB  20-2:874      0 AMB  20-1:874    3.00    (#    874:20        Double  0.00, 0.00  )
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1236,1237,1211,1212,
 igr2=1233,1234,1233,1234,
 &end
#
#    0 AMB  20-2:875      0 AMB  20-1:875    3.00    (#    875:20        Double  0.00, 0.00  )
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 899, 875,
 igr2= 904, 905, 904, 905,
 &end
#
#   26 GLU  HG+          75 LEU  MDY         3.00    (#    878:20        Unique  3.03, 5.06 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 413, 414,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:879     75 LEU  MDY         6.00    (#    879:20        Single  0.00, 0.00  )
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1188,1189,1230,1231,1147,1148,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  MDY         3.00    (#    880:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:881     75 LEU  MDY         3.00    (#    881:20        Single  0.00, 0.00  )
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 481, 482, 483,1214,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB+          75 LEU  MDY         3.00    (#    882:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:883     75 LEU  MDY         7.00    (#    883:20        Single  0.00, 0.00  )
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
 igr1= 462, 522, 523, 428, 429,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   72 ASP  HB-          75 LEU  MDY         5.00    (#    884:20        Unique  4.66, 6.76 A)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1173,1174,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:886      0 AMB  20-1:886    3.00    (#    886:20        Double  0.00, 0.00  )
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 999,1000,1606,1607,
 igr2= 757, 758, 803, 804,
 &end
#
#    0 AMB  20-2:887      0 AMB  20-1:887    3.00    (#    887:20        Double  0.00, 0.00  )
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 760, 761, 806, 807, 907, 908,1410,1411, 754, 755,
      
 igr2= 757, 758, 803, 804, 904, 905,1407,1408, 757, 758,
      
 &end
#
#   47 LYS  HE+          47 LYS  HG-         4.00    (#    888:20        Unique  1.94, 3.14 A)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 763, 764,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:889      0 AMB  20-1:889    3.00    (#    889:20        Double  0.00, 0.00  )
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 901, 902, 754, 755, 877, 878,
 igr2= 904, 905, 757, 758, 904, 905,
 &end
#
#    0 AMB  20-2:890      0 AMB  20-1:890    3.00    (#    890:20        Double  0.00, 0.00  )
 &rst
  ixpk= 890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 760, 761, 907, 908,
 igr2= 757, 758, 904, 905,
 &end
#
#    0 AMB  20-2:891      0 AMB  20-1:891    3.00    (#    891:20        Double  0.00, 0.00  )
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 935, 842,
 igr2= 847, 848, 847, 848,
 &end
#
#    0 AMB  20-2:892      0 AMB  20-1:892    5.00    (#    892:20        Double  0.00, 0.00  )
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 937, 938, 937, 938,
 igr2= 847, 848, 847, 848,
 &end
#
#    0 AMB  20-2:894      0 AMB  20-1:894    3.00    (#    894:20        Double  0.00, 0.00  )
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 844, 845, 850, 851,
 igr2= 847, 848, 847, 848,
 &end
#
#   88 LYS  HA           88 LYS  HG+         4.50    (#    896:20        Unique  2.75, 3.60 A)
 &rst
  ixpk= 896, nxpk= 20, iat=1402,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1407,1408,
 &end
#
#   43 PRO  HD+          43 PRO  HG-         3.00    (#    897:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD-          43 PRO  HG-         3.00    (#    898:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HB+          43 PRO  HG+         3.00    (#    899:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD+          43 PRO  HG+         3.00    (#    901:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   43 PRO  HD-          43 PRO  HG+         3.00    (#    902:20        Unique  2.30, 2.58 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694,
 igr2= 696, 697,
 &end
#
#   25 LYS  HA           25 LYS  HG+         5.00    (#    903:20        Unique  3.57, 3.91 A)
 &rst
  ixpk= 903, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 391, 392,
 &end
#
#   48 TRP  HB+          61 LYS  HG+         5.00    (#    904:20        Unique  4.21, 5.13 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 776, 777,
 igr2=1014,1015,
 &end
#
#   25 LYS  HE+          25 LYS  HG+         4.00    (#    905:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 397, 398,
 igr2= 391, 392,
 &end
#
#   25 LYS  HE+          25 LYS  HG-         3.00    (#    906:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 397, 398,
 igr2= 391, 392,
 &end
#
#   25 LYS  HB+          25 LYS  HG-         3.00    (#    907:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 388, 389,
 igr2= 391, 392,
 &end
#
#   97 LEU  HB+          80 VAL  MGY         5.00    (#    908:20        Unique  3.07, 6.07 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1545,1546,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  125 LYS  HE+         125 LYS  HG+         3.00    (#    912:20        Unique  2.01, 3.14 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1989,1990,
 igr2=1983,1984,
 &end
#
#   80 VAL  HB           80 VAL  MGY         3.00    (#    913:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 913, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:914      0 AMB  20-1:914    3.00    (#    914:20        Double  0.00, 0.00  )
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 822, 823, 822, 823,
 igr2= 825, 826, 825, 826,
 &end
#
#    0 AMB  20-2:915      0 AMB  20-1:915    3.00    (#    915:20        Double  0.00, 0.00  )
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 828, 829, 828, 829,
 igr2= 825, 826, 825, 826,
 &end
#
#   50 LYS  HA            0 AMB  20-1:916    3.00    (#    916:20        Single  0.00, 0.00  )
 &rst
  ixpk= 916, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 825, 826, 825, 826,
 &end
#
#    0 AMB  20-2:917      0 AMB  20-1:917    3.00    (#    917:20        Double  0.00, 0.00  )
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 831, 832, 831, 832,
 igr2= 825, 826, 825, 826,
 &end
#
#    0 AMB  20-2:918      0 AMB  20-1:918    3.00    (#    918:20        Double  0.00, 0.00  )
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 828, 829, 828, 829,
 igr2= 825, 826, 825, 826,
 &end
#
#   75 LEU  HA           75 LEU  MDX         3.00    (#    920:20        Unique  1.99, 3.81 A)
 &rst
  ixpk= 920, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   30 MET  HB+          75 LEU  MDX         5.00    (#    921:20        Unique  6.42, 8.63 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 474, 475,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   74 CYS  HB-          75 LEU  MDX         5.00    (#    922:20        Unique  4.63, 6.94 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1200,1201,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   26 GLU  HG+          75 LEU  MDX         4.00    (#    923:20        Unique  3.03, 5.06 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 413, 414,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   71 ASP  HB+          75 LEU  MDX         4.00    (#    924:20        Unique  2.74, 6.52 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1161,1162,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB-          75 LEU  MDX         3.00    (#    925:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:926     75 LEU  MDX         3.00    (#    926:20        Single  0.00, 0.00  )
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 481, 482, 483,1214,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HB+          75 LEU  MDX         3.00    (#    927:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1211,1212,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:928    105 VAL  MGY         3.00    (#    928:20        Single  0.00, 0.00  )
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 710, 711, 710, 711,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  102 ALA  MB          105 VAL  MGY         3.00    (#    929:20        Unique  1.90, 3.42 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1621,1622,1623,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   65 VAL  HA           82 VAL  MGY         3.00    (#    930:20        Unique  1.52, 3.98 A)
 &rst
  ixpk= 930, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HB           82 VAL  MGY         3.00    (#    931:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 931, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  MGY         3.00    (#    932:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 932, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#  100 ILE  HG1+         82 VAL  MGY         4.00    (#    933:20        Unique  3.93, 6.13 A)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1593,1594,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   80 VAL  MGY          82 VAL  MGY         3.00    (#    934:20        Unique  1.95, 6.39 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:937     83 ALA  MB          5.00    (#    937:20        Single  0.00, 0.00  )
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1359,1360,1450,1451,
 igr2=1349,1350,1351,
 &end
#
#   66 LEU  MDY          83 ALA  MB          4.00    (#    940:20        Unique  2.12, 5.10 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2=1349,1350,1351,
 &end
#
#   82 VAL  MGX          83 ALA  MB          6.00    (#    941:20        Unique  4.60, 6.55 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1349,1350,1351,
 &end
#
#   74 CYS  HB+          78 MET  ME          4.00    (#    943:20        Unique  2.00, 3.97 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1200,1201,
 igr2=1271,1272,1273,
 &end
#
#   33 TYR  HB-          78 MET  ME          4.00    (#    944:20        Unique  1.82, 3.55 A)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 522, 523,
 igr2=1271,1272,1273,
 &end
#
#   29 ALA  HA           78 MET  ME          3.50    (#    945:20        Unique  1.99, 3.03 A)
 &rst
  ixpk= 945, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HG+          78 MET  ME          3.00    (#    947:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1267,1268,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:948     78 MET  ME          4.00    (#    948:20        Single  0.00, 0.00  )
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 464, 465, 466,1267,1268,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HB-          78 MET  ME          4.00    (#    949:20        Unique  1.92, 4.26 A)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1264,1265,
 igr2=1271,1272,1273,
 &end
#
#   69 ALA  HA           94 THR  MG2         5.00    (#    950:20        Unique  3.17, 4.25 A)
 &rst
  ixpk= 950, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   94 THR  HB           94 THR  MG2         3.00    (#    951:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 951, nxpk= 20, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1501,1502,1503,
 &end
#
#   79 TYR  HB+          94 THR  MG2         4.00    (#    952:20        Unique  1.98, 4.18 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1281,1282,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:955     36 LEU  MDY         3.00    (#    955:20        Single  0.00, 0.00  )
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 588, 604, 605,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   82 VAL  MGX          63 VAL  MGY         3.00    (#    957:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          63 VAL  MGY         4.00    (#    958:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:959      0 AMB  20-1:959    4.80    (#    959:20        Double  0.00, 0.00  )
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.76, r4=12.26,
 igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
      1909,1910,1904,1905,1906,1908,1909,1910,
 igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,
 &end
#
#  108 ASP  HB+          39 THR  MG2         4.00    (#    961:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#  108 ASP  HB-          39 THR  MG2         3.00    (#    962:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#    0 AMB  20-2:963      0 AMB  20-1:963    3.00    (#    963:20        Double  0.00, 0.00  )
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1833, 583,
 igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#  117 LEU  HB-         117 LEU  MDY         3.00    (#    964:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  114 ALA  HA          117 LEU  MDY         4.20    (#    965:20        Unique  1.98, 4.09 A)
 &rst
  ixpk= 965, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   66 LEU  HA           66 LEU  MDX         3.00    (#    966:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 966, nxpk= 20, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   43 PRO  HB+          66 LEU  MDX         4.00    (#    967:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 699, 700,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   43 PRO  HB-          66 LEU  MDX         3.00    (#    968:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 699, 700,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   81 GLU  HB+          66 LEU  MDX         4.50    (#    969:20        Unique  2.11, 4.93 A)
 &rst
  ixpk= 969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   66 LEU  HB-          66 LEU  MDX         3.00    (#    970:20        Unique  2.06, 3.37 A)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1094,1095,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   45 MET  HB-          62 THR  MG2         5.50    (#    971:20        Unique  3.31, 5.21 A)
 &rst
  ixpk= 971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 730, 731,
 igr2=1035,1036,1037,
 &end
#
#   45 MET  ME           62 THR  MG2         3.00    (#    972:20        Unique  1.93, 3.31 A)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 737, 738, 739,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:973     62 THR  MG2         4.00    (#    973:20        Single  0.00, 0.00  )
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1371, 996, 997,
 igr2=1035,1036,1037,
 &end
#
#   65 VAL  HA           65 VAL  MGY         3.00    (#    976:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 976, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HB           65 VAL  MGY         4.50    (#    977:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 977, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    9 THR  HB            9 THR  MG2         3.00    (#    978:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 978, nxpk= 20, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 130, 131, 132,
 &end
#
#    6 ARG  HD+           9 THR  MG2         4.50    (#    979:20        Unique  1.94, 3.55 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  83,  84,
 igr2= 130, 131, 132,
 &end
#
#  113 ILE  HA           97 LEU  MDX         4.00    (#    980:20        Unique  1.92, 4.37 A)
 &rst
  ixpk= 980, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   80 VAL  MGX          97 LEU  MDX         4.00    (#    981:20        Unique  1.97, 4.81 A)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1=1304,1305,1306,1308,1309,1310,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  120 LEU  HB+         120 LEU  MDX         3.00    (#    982:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  MDX         3.00    (#    983:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   96 LYS  HD+          95 ALA  MB          6.50    (#    984:20        Unique  3.76, 5.32 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1529,1530,
 igr2=1513,1514,1515,
 &end
#
#    0 AMB  20-2:985     95 ALA  MB          6.00    (#    985:20        Single  0.00, 0.00  )
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
 igr1=1526,1527,1501,1502,1503,1545,1546,
 igr2=1513,1514,1515,
 &end
#
#   82 VAL  MGX          95 ALA  MB          7.00    (#    986:20        Unique  4.85, 7.51 A)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1513,1514,1515,
 &end
#
#    0 AMB  20-2:987      0 AMB  20-1:987    5.00    (#    987:20        Double  0.00, 0.00  )
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 923, 946,
 igr2= 925, 926, 927, 950, 951, 952,
 &end
#
#   57 THR  HB            0 AMB  20-1:988    5.00    (#    988:20        Single  0.00, 0.00  )
 &rst
  ixpk= 988, nxpk= 20, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 950, 951, 952, 925, 926, 927,
 &end
#
#    0 AMB  20-2:990     97 LEU  MDX         3.00    (#    990:20        Single  0.00, 0.00  )
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1127,1128,1129,1548,1523,1524,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  20-2:994    109 THR  MG2         3.00    (#    994:20        Single  0.00, 0.00  )
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
       652, 653,
 igr2=1716,1717,1718,
 &end
#
#    0 AMB  20-2:995      0 AMB  20-1:995    6.00    (#    995:20        Double  0.00, 0.00  )
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 901, 902, 981, 982,
 igr2= 925, 926, 927, 950, 951, 952,
 &end
#
#   16 THR  HA           16 THR  MG2         3.00    (#    996:20        Unique  2.53, 3.25 A)
 &rst
  ixpk= 996, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#   16 THR  HB           16 THR  MG2         3.00    (#    997:20        Unique  2.36, 2.64 A)
 &rst
  ixpk= 997, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HG+          16 THR  MG2         4.00    (#    998:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 244, 245,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HG-          16 THR  MG2         3.00    (#    999:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 244, 245,
 igr2= 258, 259, 260,
 &end
#
#   15 GLU  HB-          16 THR  MG2         3.00    (#   1000:20        Unique  3.26, 4.76 A)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 241, 242,
 igr2= 258, 259, 260,
 &end
#
#  122 ARG  HD+           4 VAL  MGY         4.00    (#   1001:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1934,1935,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   83 ALA  MB           92 VAL  MGY         3.00    (#   1003:20        Unique  1.92, 5.30 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1349,1350,1351,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  105 VAL  HB          109 THR  MG2         4.00    (#   1004:20        Unique  2.07, 3.09 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#    4 VAL  HA            4 VAL  MGY         3.00    (#   1005:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 1005, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  121 ALA  HA            4 VAL  MGY         6.00    (#   1007:20        Unique  5.87, 7.35 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HB            4 VAL  MGY         3.00    (#   1009:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 1009, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  121 ALA  MB            4 VAL  MGY         3.00    (#   1010:20        Unique  3.19, 5.70 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1918,1919,1920,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   16 THR  HA           20 VAL  MGY         4.00    (#   1011:20        Unique  1.97, 4.29 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   16 THR  HB           20 VAL  MGY         5.00    (#   1012:20        Unique  2.68, 5.17 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HA           20 VAL  MGY         3.00    (#   1013:20        Unique  2.24, 3.13 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   21 ASP  HB-          20 VAL  MGY         6.00    (#   1014:20        Unique  2.31, 5.54 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 339, 340,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HB           20 VAL  MGY         3.00    (#   1015:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   92 VAL  HB           92 VAL  MGX         3.00    (#   1017:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   46 GLY  HA+         102 ALA  MB          5.00    (#   1018:20        Unique  4.43, 5.38 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 745, 746,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1019   102 ALA  MB          3.00    (#   1019:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
 igr2=1621,1622,1623,
 &end
#
#   65 VAL  HA           65 VAL  MGX         3.00    (#   1020:20        Unique  2.18, 3.16 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HB           65 VAL  MGX         4.50    (#   1021:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  HB           65 VAL  MGX         4.00    (#   1022:20        Unique  3.03, 5.35 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1023    65 VAL  MGX         4.00    (#   1023:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1094,1095,1593,1594,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1024    65 VAL  MGX         4.00    (#   1024:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1=1593,1594,1621,1622,1623,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   27 GLU  HA           22 ALA  MB          4.00    (#   1031:20        Unique  3.28, 4.14 A)
 &rst
  ixpk= 1031, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   28 ARG  HA           22 ALA  MB          3.00    (#   1032:20        Unique  2.03, 3.22 A)
 &rst
  ixpk= 1032, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:1033    22 ALA  MB          4.00    (#   1033:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 359, 337,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  HA           22 ALA  MB          3.00    (#   1034:20        Unique  2.84, 3.84 A)
 &rst
  ixpk= 1034, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  QG2          22 ALA  MB          3.00    (#   1035:20        Unique  1.96, 3.51 A)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 306, 307, 308,
 igr2= 351, 352, 353,
 &end
#
#   22 ALA  HA           22 ALA  MB          3.00    (#   1036:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1036, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   19 ILE  HB           22 ALA  MB          3.00    (#   1038:20        Unique  1.96, 3.00 A)
 &rst
  ixpk= 1038, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   27 GLU  HG-          22 ALA  MB          5.00    (#   1040:20        Unique  4.16, 5.32 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 428, 429,
 igr2= 351, 352, 353,
 &end
#
#   20 VAL  HA           20 VAL  MGX         3.00    (#   1042:20        Unique  2.24, 3.13 A)
 &rst
  ixpk= 1042, nxpk= 20, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HB           20 VAL  MGX         3.00    (#   1043:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1043, nxpk= 20, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    2 ALA  HA            2 ALA  MB          3.00    (#   1044:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  25,  26,  27,
 &end
#
#  122 ARG  HD+           4 VAL  MGX         3.00    (#   1049:20        Unique  2.10, 4.66 A)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1934,1935,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HB            4 VAL  MGX         3.00    (#   1050:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HA            4 VAL  MGX         3.00    (#   1051:20        Unique  2.08, 3.20 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  118 TYR  HA            4 VAL  MGX         4.00    (#   1052:20        Unique  2.40, 4.07 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    0 AMB  20-2:1053     4 VAL  MGX         3.00    (#   1053:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  25,  26,  27,1918,1919,1920,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   30 MET  HA           30 MET  ME          3.00    (#   1054:20        Unique  1.99, 3.01 A)
 &rst
  ixpk= 1054, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  HA           30 MET  ME          3.00    (#   1055:20        Unique  1.94, 3.29 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 481, 482, 483,
 &end
#
#   74 CYS  HB+          30 MET  ME          4.00    (#   1056:20        Unique  2.71, 4.53 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1200,1201,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HB-          30 MET  ME          5.00    (#   1057:20        Unique  3.79, 5.15 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 522, 523,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HB+          30 MET  ME          5.00    (#   1058:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 474, 475,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HB-          30 MET  ME          4.00    (#   1059:20        Unique  3.72, 4.57 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 474, 475,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:1060    30 MET  ME          3.00    (#   1060:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  MDX          30 MET  ME          3.00    (#   1061:20        Unique  1.98, 4.93 A)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 481, 482, 483,
 &end
#
#   93 TYR  HB+          82 VAL  MGX         6.00    (#   1062:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1478,1479,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HB           82 VAL  MGX         4.00    (#   1063:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HB           82 VAL  MGX         3.00    (#   1064:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  MGY          82 VAL  MGX         3.00    (#   1065:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HB-          82 VAL  MGX         6.00    (#   1067:20        Unique  2.65, 5.87 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1478,1479,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1069    19 ILE  QG2         4.00    (#   1069:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 496, 423,
 igr2= 306, 307, 308,
 &end
#
#   28 ARG  HA           19 ILE  QG2         3.00    (#   1070:20        Unique  1.89, 2.66 A)
 &rst
  ixpk= 1070, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   31 GLY  HA-          19 ILE  QG2         5.00    (#   1071:20        Unique  1.92, 4.00 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 489, 490,
 igr2= 306, 307, 308,
 &end
#
#   27 GLU  HB-          19 ILE  QG2         6.00    (#   1072:20        Unique  4.45, 5.90 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 425, 426,
 igr2= 306, 307, 308,
 &end
#
#   19 ILE  HG1-         19 ILE  QG2         4.00    (#   1074:20        Unique  2.23, 3.50 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 310, 311,
 igr2= 306, 307, 308,
 &end
#
#   22 ALA  MB           19 ILE  QG2         3.00    (#   1075:20        Unique  1.96, 3.51 A)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 351, 352, 353,
 igr2= 306, 307, 308,
 &end
#
#   18 ILE  QG2          19 ILE  QG2         5.00    (#   1076:20        Unique  1.93, 4.65 A)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 igr2= 306, 307, 308,
 &end
#
#  118 TYR  HA          121 ALA  MB          3.00    (#   1077:20        Unique  2.05, 3.34 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  121 ALA  HA          121 ALA  MB          3.00    (#   1078:20        Unique  2.31, 2.63 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=1916,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#   14 ILE  HB           14 ILE  QG2         3.00    (#   1079:20        Unique  2.32, 2.63 A)
 &rst
  ixpk= 1079, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 224, 225, 226,
 &end
#
#   15 GLU  HB-          14 ILE  QG2         5.00    (#   1080:20        Unique  3.36, 4.64 A)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 242,
 igr2= 224, 225, 226,
 &end
#
#   14 ILE  QD1          14 ILE  QG2         3.00    (#   1081:20        Unique  1.95, 3.51 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 231, 232, 233,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  QD1          14 ILE  QG2         5.50    (#   1082:20        Unique  1.94, 4.93 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 294, 295, 296,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  QG2          14 ILE  QG2         6.00    (#   1083:20        Unique  3.62, 6.41 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 287, 288, 289,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:1085    29 ALA  MB          4.00    (#   1085:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 522, 523, 498, 499,2002,2003,
 igr2= 464, 465, 466,
 &end
#
#   29 ALA  HA           29 ALA  MB          3.00    (#   1086:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:1087   105 VAL  MGX         5.00    (#   1087:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1648, 659,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  HB          105 VAL  MGX         4.00    (#   1088:20        Unique  2.91, 4.07 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HG+         105 VAL  MGX         3.50    (#   1089:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1731,1732,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:1090   105 VAL  MGX         4.00    (#   1090:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1728,1729,1662,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  102 ALA  MB          105 VAL  MGX         3.00    (#   1091:20        Unique  1.90, 3.42 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1621,1622,1623,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  113 ILE  QD1         112 ALA  MB          4.50    (#   1092:20        Unique  3.39, 5.68 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1779,1780,1781,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1093     0 AMB  20-1:1093   3.00    (#   1093:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 583,1768, 640,1833,
 igr2=1760,1761,1762,1918,1919,1920,
 &end
#
#   39 THR  HB          112 ALA  MB          4.00    (#   1094:20        Unique  3.06, 3.83 A)
 &rst
  ixpk= 1094, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1095     0 AMB  20-1:1095   4.00    (#   1095:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  46,1838,1728,1729,
 igr2=1918,1919,1920,1760,1761,1762,
 &end
#
#    0 AMB  20-2:1096   112 ALA  MB          4.00    (#   1096:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 645,1548,
 igr2=1760,1761,1762,
 &end
#
#   40 LEU  MDY         112 ALA  MB          3.00    (#   1097:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:1098   112 ALA  MB          3.00    (#   1098:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,
 igr2=1760,1761,1762,
 &end
#
#   80 VAL  HB           80 VAL  MGX         3.00    (#   1101:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=1302,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   36 LEU  MDY          80 VAL  MGX         4.80    (#   1102:20        Unique  2.97, 7.07 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:1103   114 ALA  MB          5.00    (#   1103:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1726,1768,
 igr2=1789,1790,1791,
 &end
#
#    0 AMB  20-2:1104   114 ALA  MB          4.80    (#   1104:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1=1731,1732,1748,1749,
 igr2=1789,1790,1791,
 &end
#
#  111 GLU  HA          114 ALA  MB          3.00    (#   1105:20        Unique  2.73, 3.85 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  114 ALA  HA          114 ALA  MB          3.00    (#   1106:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  117 LEU  MDX         114 ALA  MB          4.00    (#   1108:20        Unique  3.30, 6.41 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1789,1790,1791,
 &end
#
#   85 ILE  HA           85 ILE  QG2         3.00    (#   1109:20        Unique  2.20, 3.00 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HB           85 ILE  QG2         3.00    (#   1110:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1-         85 ILE  QG2         3.00    (#   1111:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1+         85 ILE  QG2         3.00    (#   1112:20        Unique  2.26, 3.48 A)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1373,1374,1375,
 &end
#
#   69 ALA  HA           69 ALA  MB          3.00    (#   1113:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1113, nxpk= 20, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD-          69 ALA  MB          3.00    (#   1114:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1144,1145,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD+          69 ALA  MB          3.00    (#   1115:20        Unique  1.88, 3.05 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1144,1145,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:1116    69 ALA  MB          3.00    (#   1116:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1281,1282,1281,1282,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:1117    69 ALA  MB          3.00    (#   1117:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1185,1186,1188,1189,
 igr2=1137,1138,1139,
 &end
#
#   81 GLU  HG+          69 ALA  MB          4.00    (#   1118:20        Unique  2.02, 4.56 A)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1321,1322,
 igr2=1137,1138,1139,
 &end
#
#   49 LYS  HA           58 ILE  QG2         3.00    (#   1120:20        Unique  2.25, 3.41 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   58 ILE  HA           58 ILE  QG2         3.00    (#   1121:20        Unique  2.60, 3.35 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   49 LYS  HE+          58 ILE  QG2         4.50    (#   1122:20        Unique  1.99, 3.71 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 809, 810,
 igr2= 964, 965, 966,
 &end
#
#  101 GLU  HB+          58 ILE  QG2         5.90    (#   1123:20        Unique  6.59, 8.08 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1606,1607,
 igr2= 964, 965, 966,
 &end
#
#   49 LYS  HG+          58 ILE  QG2         3.20    (#   1124:20        Unique  3.82, 5.35 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 803, 804,
 igr2= 964, 965, 966,
 &end
#
#    0 AMB  20-2:1125    58 ILE  QG2         4.00    (#   1125:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 803, 804, 822, 823, 847, 848,
 igr2= 964, 965, 966,
 &end
#
#   48 TRP  HB+          63 VAL  MGX         3.00    (#   1126:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          63 VAL  MGX         4.00    (#   1127:20        Unique  2.28, 4.39 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 776, 777,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  HB           63 VAL  MGX         5.00    (#   1128:20        Unique  2.00, 4.44 A)
 &rst
  ixpk= 1128, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          63 VAL  MGX         3.00    (#   1129:20        Unique  1.92, 4.21 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1335,1336,1337,1339,1340,1341,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1131   103 ILE  QG2         4.00    (#   1131:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 737, 738, 739, 730, 731,
 igr2=1633,1634,1635,
 &end
#
#  113 ILE  HA          113 ILE  QG2         3.00    (#   1132:20        Unique  2.38, 3.18 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  HB          113 ILE  QG2         3.00    (#   1133:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=1770,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  QD1         113 ILE  QG2         3.00    (#   1134:20        Unique  2.64, 4.26 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1779,1780,1781,
 igr2=1772,1773,1774,
 &end
#
#  114 ALA  HA          113 ILE  QG2         4.00    (#   1135:20        Unique  2.99, 4.22 A)
 &rst
  ixpk= 1135, nxpk= 20, iat=1787,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1772,1773,1774,
 &end
#
#  113 ILE  HG1+        113 ILE  QG2         3.00    (#   1136:20        Unique  2.01, 3.27 A)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1776,1777,
 igr2=1772,1773,1774,
 &end
#
#  117 LEU  HB+         113 ILE  QG2         5.00    (#   1137:20        Unique  4.50, 5.80 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1835,1836,
 igr2=1772,1773,1774,
 &end
#
#  103 ILE  HA          103 ILE  QG2         3.00    (#   1138:20        Unique  2.36, 3.32 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#  104 ASP  HB+         103 ILE  QG2         3.00    (#   1139:20        Unique  2.29, 3.76 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1650,1651,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:1140   103 ILE  QG2         3.00    (#   1140:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 733, 734,1650,1651,
 igr2=1633,1634,1635,
 &end
#
#  103 ILE  HB          103 ILE  QG2         3.00    (#   1141:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#   46 GLY  HA+         100 ILE  QG2         4.00    (#   1142:20        Unique  2.36, 4.37 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 745, 746,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HB          100 ILE  QG2         3.00    (#   1143:20        Unique  2.38, 2.63 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HG1+        100 ILE  QG2         3.50    (#   1144:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1593,1594,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  QG2         3.00    (#   1145:20        Unique  1.90, 3.87 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1596,1597,1598,
 igr2=1589,1590,1591,
 &end
#
#   33 TYR  HA           68 MET  ME          3.00    (#   1152:20        Unique  2.33, 3.62 A)
 &rst
  ixpk= 1152, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1127,1128,1129,
 &end
#
#   68 MET  HG+          68 MET  ME          4.00    (#   1153:20        Unique  2.21, 3.64 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1123,1124,
 igr2=1127,1128,1129,
 &end
#
#   36 LEU  HB+          68 MET  ME          3.00    (#   1155:20        Unique  1.95, 4.64 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 585, 586,
 igr2=1127,1128,1129,
 &end
#
#   69 ALA  MB           68 MET  ME          5.00    (#   1156:20        Unique  4.86, 6.69 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1137,1138,1139,
 igr2=1127,1128,1129,
 &end
#
#    0 AMB  20-2:1157    68 MET  ME          4.00    (#   1157:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 590, 591, 592, 594, 595, 596,1304,1305,1306,1308,
      1309,1310,
 igr2=1127,1128,1129,
 &end
#
#   36 LEU  MDX          68 MET  ME          4.00    (#   1158:20        Unique  1.85, 4.83 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2=1127,1128,1129,
 &end
#
#   11 GLU  HA           14 ILE  QD1         4.00    (#   1159:20        Unique  4.57, 6.04 A)
 &rst
  ixpk= 1159, nxpk= 20, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 231, 232, 233,
 &end
#
#   10 ARG  HD+          14 ILE  QD1         4.00    (#   1160:20        Unique  1.97, 4.67 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 148, 149,
 igr2= 231, 232, 233,
 &end
#
#   14 ILE  HB           14 ILE  QD1         3.00    (#   1161:20        Unique  2.38, 3.24 A)
 &rst
  ixpk= 1161, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:1162    14 ILE  QD1         3.00    (#   1162:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 224, 225, 226, 142, 143,
 igr2= 231, 232, 233,
 &end
#
#   18 ILE  QD1          14 ILE  QD1         5.00    (#   1163:20        Unique  2.14, 4.14 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 igr2= 231, 232, 233,
 &end
#
#  110 GLN  HA          113 ILE  QD1         3.00    (#   1164:20        Unique  1.96, 3.15 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HG1+        113 ILE  QD1         3.00    (#   1165:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1776,1777,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HB          113 ILE  QD1         3.00    (#   1166:20        Unique  2.03, 2.89 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=1770,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1779,1780,1781,
 &end
#
#  112 ALA  MB          113 ILE  QD1         4.50    (#   1167:20        Unique  3.39, 5.68 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1760,1761,1762,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  QG2         113 ILE  QD1         3.00    (#   1168:20        Unique  2.64, 4.26 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1772,1773,1774,
 igr2=1779,1780,1781,
 &end
#
#   35 TYR  HB+          18 ILE  QG2         5.00    (#   1169:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 564, 565,
 igr2= 287, 288, 289,
 &end
#
#   19 ILE  QG2          18 ILE  QG2         5.00    (#   1170:20        Unique  1.93, 4.65 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 306, 307, 308,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HG1-         18 ILE  QG2         5.00    (#   1171:20        Unique  2.52, 3.51 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 291, 292,
 igr2= 287, 288, 289,
 &end
#
#   32 TRP  HA           18 ILE  QG2         4.50    (#   1172:20        Unique  1.93, 2.41 A)
 &rst
  ixpk= 1172, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HA           18 ILE  QG2         5.00    (#   1173:20        Unique  2.36, 3.20 A)
 &rst
  ixpk= 1173, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 287, 288, 289,
 &end
#
#   35 TYR  HB-          18 ILE  QG2         6.00    (#   1174:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 564, 565,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HB           18 ILE  QG2         4.00    (#   1175:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 1175, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  QD1          18 ILE  QG2         5.00    (#   1176:20        Unique  1.94, 3.59 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 igr2= 287, 288, 289,
 &end
#
#  103 ILE  HA          103 ILE  QD1         4.00    (#   1177:20        Unique  2.30, 3.70 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#   46 GLY  HA+         103 ILE  QD1         5.00    (#   1178:20        Unique  1.97, 3.98 A)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 745, 746,
 igr2=1640,1641,1642,
 &end
#
#   47 LYS  HE+         103 ILE  QD1         4.00    (#   1179:20        Unique  2.38, 3.93 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 763, 764,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HG-         103 ILE  QD1         5.00    (#   1180:20        Unique  2.18, 5.11 A)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 733, 734,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HB-         103 ILE  QD1         5.00    (#   1181:20        Unique  4.41, 6.83 A)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 730, 731,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  ME          103 ILE  QD1         4.00    (#   1182:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 737, 738, 739,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  20-2:1183   103 ILE  QD1         3.00    (#   1183:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 760, 761,1637,1638,1631,
 igr2=1640,1641,1642,
 &end
#
#   62 THR  MG2         103 ILE  QD1         3.00    (#   1184:20        Unique  3.24, 6.14 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1035,1036,1037,
 igr2=1640,1641,1642,
 &end
#
#  103 ILE  HG1+        103 ILE  QD1         3.00    (#   1185:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1637,1638,
 igr2=1640,1641,1642,
 &end
#
#   18 ILE  HA           18 ILE  QD1         6.00    (#   1186:20        Unique  2.32, 4.42 A)
 &rst
  ixpk= 1186, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   17 GLU  HB+          18 ILE  QD1         6.00    (#   1187:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 270, 271,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  HG1-         18 ILE  QD1         4.50    (#   1188:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 291, 292,
 igr2= 294, 295, 296,
 &end
#
#   45 MET  HG-          85 ILE  QD1         5.00    (#   1189:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 733, 734,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HG+          85 ILE  QD1         4.00    (#   1191:20        Unique  4.46, 5.29 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 733, 734,
 igr2=1380,1381,1382,
 &end
#
#   85 ILE  HB           85 ILE  QD1         3.00    (#   1192:20        Unique  2.46, 3.12 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1380,1381,1382,
 &end
#
#   64 GLU  HB-          85 ILE  QD1         3.00    (#   1193:20        Unique  2.72, 4.43 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1063,1064,
 igr2=1380,1381,1382,
 &end
#
#   85 ILE  HG1-         85 ILE  QD1         3.00    (#   1194:20        Unique  2.20, 2.62 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1377,1378,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:1195    85 ILE  QD1         3.00    (#   1195:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1035,1036,1037,1377,1378,
 igr2=1380,1381,1382,
 &end
#
#   49 LYS  HE+          58 ILE  QD1         5.00    (#   1196:20        Unique  2.77, 5.38 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 809, 810,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HG1+         58 ILE  QD1         3.00    (#   1197:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 971, 972, 973,
 &end
#
#   19 ILE  HA           19 ILE  QD1         4.00    (#   1198:20        Unique  3.78, 4.60 A)
 &rst
  ixpk= 1198, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 313, 314, 315,
 &end
#
#   19 ILE  HB           19 ILE  QD1         3.00    (#   1199:20        Unique  2.20, 3.54 A)
 &rst
  ixpk= 1199, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 313, 314, 315,
 &end
#
#   28 ARG  HB+          19 ILE  QD1         5.00    (#   1200:20        Unique  4.15, 6.49 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 440, 441,
 igr2= 313, 314, 315,
 &end
#
#   63 VAL  MGY         100 ILE  QD1         3.00    (#   1201:20        Unique  1.95, 4.52 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  QG2         100 ILE  QD1         3.00    (#   1202:20        Unique  1.90, 3.87 A)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1589,1590,1591,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HG1+        100 ILE  QD1         3.00    (#   1203:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1596,1597,1598,
 &end
#
#    0 AMB  20-2:1204   100 ILE  QD1         5.00    (#   1204:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 776, 777, 745, 746,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HG1-        100 ILE  QD1         3.00    (#   1205:20        Unique  2.22, 2.62 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1593,1594,
 igr2=1596,1597,1598,
 &end
#
#   58 ILE  HN           57 THR  HB          5.00    (#   1206:20        Unique  3.85, 4.33 A)
 &rst
  ixpk= 1206, nxpk= 20, iat= 958, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 THR  HN           94 THR  HB          3.50    (#   1207:20        Unique  2.95, 3.06 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   63 VAL  HN           62 THR  HB          4.50    (#   1208:20        Unique  3.81, 4.10 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=1043,1033, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 THR  HN           62 THR  HB          3.00    (#   1209:20        Unique  2.68, 2.79 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 THR  HA           62 THR  HB          4.00    (#   1210:20        Unique  2.96, 3.00 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=1031,1033, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 THR  HN            9 THR  HB          3.30    (#   1211:20        Unique  2.25, 2.32 A)
 &rst
  ixpk= 1211, nxpk= 20, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   10 ARG  HN            9 THR  HB          4.30    (#   1212:20        Unique  4.06, 4.12 A)
 &rst
  ixpk= 1212, nxpk= 20, iat= 138, 128, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  113 ILE  HN          113 ILE  HA          3.50    (#   1213:20        Unique  2.74, 2.75 A)
 &rst
  ixpk= 1213, nxpk= 20, iat=1766,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  HN            9 THR  HA          3.50    (#   1214:20        Unique  2.80, 2.85 A)
 &rst
  ixpk= 1214, nxpk= 20, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HN           39 THR  HA          3.00    (#   1215:20        Unique  2.83, 2.87 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ASP  HN           70 PRO  HA          3.00    (#   1216:20        Unique  2.23, 2.35 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=1157,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1217     0 AMB  20-1:1217   6.00    (#   1217:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 977, 862,
 igr2= 866, 867, 866, 867,
 &end
#
#    4 VAL  HN            3 SER  HB+         5.00    (#   1218:20        Unique  4.29, 4.49 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  35,  36,
 &end
#
#   17 GLU  HN           16 THR  HA          4.50    (#   1219:20        Unique  2.87, 2.95 A)
 &rst
  ixpk= 1219, nxpk= 20, iat= 266, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 THR  HN           16 THR  HA          3.50    (#   1220:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1220, nxpk= 20, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 ASP  HN           20 VAL  HA          4.00    (#   1222:20        Unique  3.46, 3.53 A)
 &rst
  ixpk= 1222, nxpk= 20, iat= 335, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 ASP  HN           98 SER  HB-         4.00    (#   1223:20        Unique  2.74, 3.58 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1564,1565,
 &end
#
#   20 VAL  HN           20 VAL  HA          2.80    (#   1224:20        Unique  2.28, 2.28 A)
 &rst
  ixpk= 1224, nxpk= 20, iat= 319, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1225    34 TYR  HA          4.00    (#   1225:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 600, 518,
 &end
#
#   86 GLY  HN           85 ILE  HA          3.80    (#   1227:20        Unique  2.61, 2.64 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=1386,1369, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   85 ILE  HN           85 ILE  HA          3.00    (#   1228:20        Unique  2.87, 2.89 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 LEU  HN           35 TYR  HA          4.00    (#   1229:20        Unique  3.44, 3.47 A)
 &rst
  ixpk= 1229, nxpk= 20, iat= 581, 562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 TYR  HD           35 TYR  HA          3.00    (#   1230:20        Unique  2.11, 3.68 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 568, 577,
 &end
#
#   58 ILE  HN           57 THR  HA          5.00    (#   1231:20        Unique  2.15, 2.85 A)
 &rst
  ixpk= 1231, nxpk= 20, iat= 958, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1232   118 TYR  HA          3.00    (#   1232:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1850,1914,1871,
 &end
#
#   32 TRP  HN           32 TRP  HA          3.50    (#   1233:20        Unique  2.70, 2.75 A)
 &rst
  ixpk= 1233, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 TYR  HN           35 TYR  HA          3.00    (#   1234:20        Unique  2.80, 2.85 A)
 &rst
  ixpk= 1234, nxpk= 20, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HD          119 TRP  HA          5.50    (#   1236:20        Unique  5.93, 7.31 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1963,1972,
 &end
#
#    0 AMB  20-2:1237    58 ILE  HA          4.00    (#   1237:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 977, 862,
 &end
#
#    0 AMB  20-2:1238   103 ILE  HA          2.80    (#   1238:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1646,1627,
 &end
#
#   28 ARG  HN           28 ARG  HA          3.00    (#   1239:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 1239, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 VAL  HN            4 VAL  HA          3.00    (#   1240:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  42,  44, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLU  HN            4 VAL  HA          4.50    (#   1241:20        Unique  2.92, 3.05 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  58,  44, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HN           19 ILE  HA          3.50    (#   1243:20        Unique  2.85, 2.92 A)
 &rst
  ixpk= 1243, nxpk= 20, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 VAL  HN           19 ILE  HA          4.00    (#   1244:20        Unique  3.41, 3.51 A)
 &rst
  ixpk= 1244, nxpk= 20, iat= 319, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1245    26 GLU  HA          3.20    (#   1245:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 406, 436,
 &end
#
#   10 ARG  HN           10 ARG  HA          3.50    (#   1246:20        Unique  2.94, 2.94 A)
 &rst
  ixpk= 1246, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HN           98 SER  HA          4.00    (#   1247:20        Unique  3.46, 3.49 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=1571,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 ALA  HN           26 GLU  HA          4.00    (#   1248:20        Unique  3.54, 3.64 A)
 &rst
  ixpk= 1248, nxpk= 20, iat= 460, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GLU  HN           11 GLU  HA          3.00    (#   1249:20        Unique  2.65, 2.67 A)
 &rst
  ixpk= 1249, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ARG  HN            8 GLU  HA          4.00    (#   1251:20        Unique  3.02, 3.17 A)
 &rst
  ixpk= 1251, nxpk= 20, iat= 138, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HN          110 GLN  HA          4.00    (#   1252:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1741,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  110 GLN  HN          110 GLN  HA          3.00    (#   1253:20        Unique  2.74, 2.75 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=1724,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 VAL  HN            3 SER  HA          3.00    (#   1254:20        Unique  2.50, 2.60 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  42,  33, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HN          107 ASP  HA          3.00    (#   1255:20        Unique  2.84, 2.86 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=1686,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 LEU  HN          117 LEU  HA          3.00    (#   1256:20        Unique  2.70, 2.73 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=1831,1833, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1257   117 LEU  HA          4.00    (#   1257:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1914,1850,
 &end
#
#   42 PHE  HD           37 ASP  HA          5.00    (#   1258:20        Unique  1.93, 4.68 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 680, 688,
 &end
#
#   37 ASP  HN           37 ASP  HA          3.00    (#   1259:20        Unique  2.78, 2.83 A)
 &rst
  ixpk= 1259, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          108 ASP  HA          4.00    (#   1260:20        Unique  3.56, 3.56 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=1710,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1261     0 AMB  20-1:1261   5.00    (#   1261:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1756, 672, 657,
 igr2=1700, 602,
 &end
#
#  108 ASP  HN          108 ASP  HA          3.00    (#   1262:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1263   107 ASP  HA          3.50    (#   1263:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1741,1698,
 &end
#
#  110 GLN  HN          107 ASP  HA          4.00    (#   1264:20        Unique  3.86, 3.93 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=1724,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HN          117 LEU  HA          4.20    (#   1265:20        Unique  3.67, 3.80 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=1895,1833, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   71 ASP  HN           71 ASP  HA          3.00    (#   1266:20        Unique  2.74, 2.78 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP  HN           71 ASP  HA          4.00    (#   1267:20        Unique  3.28, 3.41 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=1169,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 ILE  HN           97 LEU  HA          4.00    (#   1268:20        Unique  3.85, 4.02 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=1583,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 LYS  HN           96 LYS  HA          3.00    (#   1269:20        Unique  2.27, 2.28 A)
 &rst
  ixpk= 1269, nxpk= 20, iat=1519,1521, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   97 LEU  HN           96 LYS  HA          4.00    (#   1270:20        Unique  3.52, 3.54 A)
 &rst
  ixpk= 1270, nxpk= 20, iat=1541,1521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1272    96 LYS  HA          3.00    (#   1272:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1279, 728,
 &end
#
#   23 GLU  HN           23 GLU  HA          3.00    (#   1273:20        Unique  2.94, 2.95 A)
 &rst
  ixpk= 1273, nxpk= 20, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HN           23 GLU  HA          4.00    (#   1274:20        Unique  3.25, 3.32 A)
 &rst
  ixpk= 1274, nxpk= 20, iat= 372, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 ASP  HN            6 ARG  HA          4.00    (#   1276:20        Unique  3.44, 3.49 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  97,  75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 ARG  HN            6 ARG  HA          4.00    (#   1277:20        Unique  2.91, 2.94 A)
 &rst
  ixpk= 1277, nxpk= 20, iat=  73,  75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HN           17 GLU  HA          4.00    (#   1278:20        Unique  2.92, 2.93 A)
 &rst
  ixpk= 1278, nxpk= 20, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ILE  HN           17 GLU  HA          4.50    (#   1279:20        Unique  3.46, 3.49 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 281, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 TRP  HD1         120 LEU  HA          3.50    (#   1280:20        Unique  2.73, 2.98 A)
 &rst
  ixpk= 1280, nxpk= 20, iat=1879,1897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 LEU  HN          120 LEU  HA          3.00    (#   1282:20        Unique  2.88, 2.91 A)
 &rst
  ixpk= 1282, nxpk= 20, iat=1895,1897, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1283   120 LEU  HA          4.00    (#   1283:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,1897, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1914,1871,
 &end
#
#   73 GLU  HN           73 GLU  HA          3.00    (#   1284:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=1181,1183, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1286    88 LYS  HA          4.50    (#   1286:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1422,1434,
 &end
#
#    0 AMB  20-2:1287    51 LYS  HA          5.00    (#   1287:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 862, 977,
 &end
#
#   66 LEU  HN           66 LEU  HA          3.50    (#   1288:20        Unique  2.88, 2.92 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=1090,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 GLY  HN           66 LEU  HA          4.00    (#   1289:20        Unique  3.19, 3.34 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1290    38 ASP  HA          3.00    (#   1290:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 612, 624,
 &end
#
#    6 ARG  HN            5 GLU  HA          5.00    (#   1291:20        Unique  2.69, 2.72 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  73,  60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HN            5 GLU  HA          5.00    (#   1292:20        Unique  2.79, 2.84 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  58,  60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  HN           40 LEU  HA          3.50    (#   1293:20        Unique  2.73, 2.79 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TRP  HE1          50 LYS  HA          4.50    (#   1295:20        Unique  3.84, 4.07 A)
 &rst
  ixpk= 1295, nxpk= 20, iat= 782, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1296    49 LYS  HA          3.00    (#   1296:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 796,1007,
 &end
#
#   50 LYS  HN           49 LYS  HA          2.80    (#   1297:20        Unique  2.22, 2.23 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 818, 798, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  117 LEU  HN          114 ALA  HA          4.00    (#   1298:20        Unique  3.23, 3.45 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=1831,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LYS  HN           50 LYS  HA          2.80    (#   1299:20        Unique  2.16, 2.37 A)
 &rst
  ixpk= 1299, nxpk= 20, iat= 840, 820, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LYS  HN           50 LYS  HA          3.00    (#   1300:20        Unique  2.89, 2.91 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 ASP  HN           89 ASP  HA          4.50    (#   1301:20        Unique  4.00, 4.07 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=1446,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HN           21 ASP  HA          3.00    (#   1302:20        Unique  2.76, 2.91 A)
 &rst
  ixpk= 1302, nxpk= 20, iat= 335, 337, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 ALA  HN           21 ASP  HA          4.00    (#   1303:20        Unique  3.49, 3.51 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 347, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HN          104 ASP  HA          2.80    (#   1305:20        Unique  2.28, 2.28 A)
 &rst
  ixpk= 1305, nxpk= 20, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  105 VAL  HN          104 ASP  HA          3.00    (#   1306:20        Unique  2.61, 2.74 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=1658,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP  HN           72 ASP  HA          3.00    (#   1307:20        Unique  2.77, 2.89 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           72 ASP  HA          5.00    (#   1308:20        Unique  4.60, 4.97 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1196,1171, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 TRP  HN           29 ALA  HA          4.00    (#   1309:20        Unique  3.65, 3.86 A)
 &rst
  ixpk= 1309, nxpk= 20, iat= 494, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1310    29 ALA  HA          5.00    (#   1310:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 470, 487,
 &end
#
#   29 ALA  HN           29 ALA  HA          3.00    (#   1311:20        Unique  2.76, 2.79 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 ASP  HN           89 ASP  HA          3.20    (#   1313:20        Unique  2.28, 2.29 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   60 GLU  HN           59 GLU  HA          2.80    (#   1314:20        Unique  2.14, 2.16 A)
 &rst
  ixpk= 1314, nxpk= 20, iat= 992, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  122 ARG  HN          121 ALA  HA          4.00    (#   1315:20        Unique  3.41, 3.52 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=1924,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  125 LYS  HN          124 TYR  HA          3.30    (#   1316:20        Unique  2.89, 3.34 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=1976,1957, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  124 TYR  HD          124 TYR  HA          4.00    (#   1318:20        Unique  1.89, 4.06 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1972,
 &end
#
#  121 ALA  HN          121 ALA  HA          3.00    (#   1319:20        Unique  2.72, 2.75 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1914,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 GLY  HN          121 ALA  HA          4.00    (#   1320:20        Unique  3.49, 3.80 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=1948,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 GLY  HN          122 ARG  HA          3.60    (#   1321:20        Unique  2.80, 3.19 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=1948,1926, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  122 ARG  HN          122 ARG  HA          3.50    (#   1322:20        Unique  2.75, 2.85 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=1924,1926, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ASP  HN          106 ASP  HA          3.00    (#   1323:20        Unique  2.71, 2.74 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=1686,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HN          106 ASP  HA          3.00    (#   1324:20        Unique  2.88, 2.92 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=1674,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-         102 ALA  HA          4.00    (#   1326:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 745, 746,
 &end
#
#    0 AMB  20-2:1327   102 ALA  HA          3.80    (#   1327:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1617, 750,
 &end
#
#  103 ILE  HN          102 ALA  HA          2.80    (#   1328:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=1627,1619, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 GLU  HN           22 ALA  HA          2.80    (#   1329:20        Unique  2.15, 2.17 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 357, 349, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1330    22 ALA  HA          3.00    (#   1330:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 347, 372,
 &end
#
#    4 VAL  HN            2 ALA  HA          4.40    (#   1331:20        Unique  4.30, 4.81 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=  42,  23, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   69 ALA  HN           69 ALA  HA          4.00    (#   1333:20        Unique  2.81, 2.86 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=1133,1135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   6.00    (#   1334:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1367,1422,
 igr2=1388,1389,1388,1389,
 &end
#
#   86 GLY  HN           86 GLY  HA+         3.00    (#   1335:20        Unique  2.71, 2.81 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1388,1389,
 &end
#
#   87 GLY  HN           86 GLY  HA+         4.00    (#   1336:20        Unique  2.93, 3.24 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1388,1389,
 &end
#
#   88 LYS  HN           87 GLY  HA-         4.00    (#   1337:20        Unique  2.28, 2.97 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:1338     0 AMB  20-1:1338   4.80    (#   1338:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1386,1355,
 igr2=1395,1396,1395,1396,
 &end
#
#   88 LYS  HN           87 GLY  HA+         4.00    (#   1340:20        Unique  2.28, 2.97 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1395,1396,
 &end
#
#   87 GLY  HN           87 GLY  HA-         3.50    (#   1341:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1341, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#   87 GLY  HN           87 GLY  HA+         3.50    (#   1342:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1395,1396,
 &end
#
#  103 ILE  HN           46 GLY  HA+         3.50    (#   1343:20        Unique  1.97, 2.89 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 745, 746,
 &end
#
#   47 LYS  HN           46 GLY  HA+         3.00    (#   1344:20        Unique  2.15, 2.59 A)
 &rst
  ixpk= 1344, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#  124 TYR  HN          123 GLY  HA+         3.50    (#   1345:20        Unique  2.25, 3.00 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1950,1951,
 &end
#
#  122 ARG  HN          123 GLY  HA+         5.50    (#   1346:20        Unique  4.85, 5.15 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1950,1951,
 &end
#
#  123 GLY  HN          123 GLY  HA+         3.00    (#   1347:20        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1950,1951,
 &end
#
#  123 GLY  HN          123 GLY  HA-         3.00    (#   1348:20        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1950,1951,
 &end
#
#  124 TYR  HN          123 GLY  HA-         3.50    (#   1349:20        Unique  2.25, 3.00 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1950,1951,
 &end
#
#   68 MET  HN           67 GLY  HA+         3.00    (#   1350:20        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   67 GLY  HN           67 GLY  HA+         3.00    (#   1351:20        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   68 MET  HN           67 GLY  HA-         3.00    (#   1352:20        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1111,1112,
 &end
#
#   67 GLY  HN           67 GLY  HA-         3.20    (#   1353:20        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1111,1112,
 &end
#
#   13 ARG  HE           13 ARG  HD+         3.50    (#   1355:20        Unique  2.28, 2.77 A)
 &rst
  ixpk= 1355, nxpk= 20, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 204, 205,
 &end
#
#    6 ARG  HN            6 ARG  HD-         4.00    (#   1356:20        Unique  1.84, 3.39 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  83,  84,
 &end
#
#   66 LEU  HN           66 LEU  HB+         3.50    (#   1357:20        Unique  2.22, 2.96 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   67 GLY  HN           66 LEU  HB+         4.00    (#   1358:20        Unique  3.17, 3.71 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1094,1095,
 &end
#
#   78 MET  HN           77 ASP  HB+         4.00    (#   1360:20        Unique  2.49, 3.43 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   79 TYR  HE           77 ASP  HB+         4.00    (#   1361:20        Unique  1.91, 5.19 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1287,1292,
 igr2=1252,1253,
 &end
#
#   77 ASP  HN           77 ASP  HB+         4.00    (#   1362:20        Unique  2.45, 3.36 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   77 ASP  HN           77 ASP  HB-         4.00    (#   1364:20        Unique  2.45, 3.36 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1252,1253,
 &end
#
#   79 TYR  HE           77 ASP  HB-         4.00    (#   1365:20        Unique  1.91, 5.19 A)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1287,1292,
 igr2=1252,1253,
 &end
#
#    0 AMB  20-2:1366     0 AMB  20-1:1366   4.00    (#   1366:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1260,  97,
 igr2=1252,1253, 101, 102,
 &end
#
#   24 ASP  HA           24 ASP  HB+         3.00    (#   1367:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 1367, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           24 ASP  HB+         3.00    (#   1368:20        Unique  2.11, 3.36 A)
 &rst
  ixpk= 1368, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           24 ASP  HB-         3.00    (#   1369:20        Unique  2.11, 3.36 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#   24 ASP  HA           24 ASP  HB-         3.00    (#   1371:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 1371, nxpk= 20, iat= 374,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 376, 377,
 &end
#
#    7 ASP  HA            7 ASP  HB-         3.00    (#   1372:20        Unique  2.36, 2.77 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 101, 102,
 &end
#
#    7 ASP  HA            7 ASP  HB+         3.50    (#   1373:20        Unique  2.36, 2.77 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 101, 102,
 &end
#
#   96 LYS  HN           96 LYS  HE+         3.50    (#   1374:20        Unique  1.77, 3.04 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1532,1533,
 &end
#
#    0 AMB  20-2:1376     0 AMB  20-1:1376   3.00    (#   1376:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 612, 624,
 igr2= 616, 617, 616, 617,
 &end
#
#   37 ASP  HN           37 ASP  HB+         3.00    (#   1377:20        Unique  2.07, 2.67 A)
 &rst
  ixpk= 1377, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#   38 ASP  HN           37 ASP  HB+         4.00    (#   1378:20        Unique  2.46, 3.32 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 604, 605,
 &end
#
#   37 ASP  HN           37 ASP  HB-         3.00    (#   1379:20        Unique  2.07, 2.67 A)
 &rst
  ixpk= 1379, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#   38 ASP  HN           37 ASP  HB-         4.00    (#   1380:20        Unique  2.46, 3.32 A)
 &rst
  ixpk= 1380, nxpk= 20, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 604, 605,
 &end
#
#   25 LYS  HN           25 LYS  HE+         4.00    (#   1381:20        Unique  2.03, 3.20 A)
 &rst
  ixpk= 1381, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 397, 398,
 &end
#
#   96 LYS  HN           96 LYS  HE-         3.50    (#   1385:20        Unique  1.77, 3.04 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1532,1533,
 &end
#
#  120 LEU  HN          120 LEU  HB+         3.00    (#   1389:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1899,1900,
 &end
#
#  121 ALA  HN          120 LEU  HB+         5.00    (#   1390:20        Unique  2.49, 3.35 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1899,1900,
 &end
#
#  120 LEU  HN          120 LEU  HB-         3.50    (#   1391:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1899,1900,
 &end
#
#   48 TRP  HE1          99 ASP  HB-         3.50    (#   1394:20        Unique  2.11, 2.82 A)
 &rst
  ixpk= 1394, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:1395     0 AMB  20-1:1395   3.00    (#   1395:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1355,1386,
 igr2=1359,1360,1359,1360,
 &end
#
#  107 ASP  HN          106 ASP  HB+         3.00    (#   1397:20        Unique  2.08, 2.89 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1678,1679,
 &end
#
#   47 LYS  HN           47 LYS  HE+         5.50    (#   1398:20        Unique  4.60, 5.20 A)
 &rst
  ixpk= 1398, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 763, 764,
 &end
#
#   47 LYS  HA           47 LYS  HE+         5.00    (#   1399:20        Unique  2.10, 4.22 A)
 &rst
  ixpk= 1399, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 763, 764,
 &end
#
#  107 ASP  HN          106 ASP  HB-         3.00    (#   1400:20        Unique  2.08, 2.89 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1678,1679,
 &end
#
#   75 LEU  HN           75 LEU  HB-         3.00    (#   1401:20        Unique  2.48, 3.32 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#   75 LEU  HN           75 LEU  HB+         4.00    (#   1402:20        Unique  2.48, 3.32 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1211,1212,
 &end
#
#   97 LEU  HN           97 LEU  HB-         3.50    (#   1403:20        Unique  2.20, 2.98 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#  121 ALA  HN          120 LEU  HB-         4.00    (#   1404:20        Unique  2.49, 3.35 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#  120 LEU  HN          120 LEU  HB-         3.00    (#   1405:20        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1405, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1899,1900,
 &end
#
#   48 TRP  HE1          99 ASP  HB+         3.50    (#   1407:20        Unique  2.11, 2.82 A)
 &rst
  ixpk= 1407, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#   99 ASP  HN           99 ASP  HB+         4.00    (#   1408:20        Unique  3.00, 3.29 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1575,1576,
 &end
#
#   99 ASP  HA           99 ASP  HB+         3.00    (#   1409:20        Unique  2.62, 2.82 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1575,1576,
 &end
#
#   48 TRP  HD1          99 ASP  HB+         4.80    (#   1411:20        Unique  2.62, 3.69 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:1412     0 AMB  20-1:1412   3.50    (#   1412:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 714, 722, 680, 688,
 igr2= 710, 711, 710, 711,
 &end
#
#   44 PHE  HA           44 PHE  HB-         3.00    (#   1413:20        Unique  2.26, 2.47 A)
 &rst
  ixpk= 1413, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 710, 711,
 &end
#
#   99 ASP  HN           99 ASP  HB-         3.50    (#   1414:20        Unique  3.00, 3.29 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=1571,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1575,1576,
 &end
#
#   93 TYR  HD           61 LYS  HE+         7.00    (#   1417:20        Unique  2.81, 5.68 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1482,1491,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:1418     0 AMB  20-1:1418   6.00    (#   1418:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1386,1355,1029,
 igr2=1426,1427,1020,1021,
 &end
#
#   48 TRP  HD1          61 LYS  HE-         6.00    (#   1419:20        Unique  4.75, 5.40 A)
 &rst
  ixpk= 1419, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1020,1021,
 &end
#
#   79 TYR  HN           79 TYR  HB+         4.00    (#   1420:20        Unique  2.66, 3.38 A)
 &rst
  ixpk= 1420, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1281,1282,
 &end
#
#   80 VAL  HN           79 TYR  HB+         4.00    (#   1421:20        Unique  1.86, 3.07 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1281,1282,
 &end
#
#    0 AMB  20-2:1423     0 AMB  20-1:1423   5.00    (#   1423:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1497,1347,
 igr2=1281,1282,1359,1360,1450,1451,
 &end
#
#    0 AMB  20-2:1424    84 ASP  HB-         4.00    (#   1424:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1355,1386,
 igr2=1359,1360,
 &end
#
#   45 MET  HN           44 PHE  HB+         4.00    (#   1429:20        Unique  3.01, 3.77 A)
 &rst
  ixpk= 1429, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   44 PHE  HA           44 PHE  HB+         3.00    (#   1431:20        Unique  2.26, 2.47 A)
 &rst
  ixpk= 1431, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 710, 711,
 &end
#
#   45 MET  HN           44 PHE  HB-         4.00    (#   1432:20        Unique  3.01, 3.77 A)
 &rst
  ixpk= 1432, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   93 TYR  HA           93 TYR  HB+         5.00    (#   1435:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   94 THR  HN           93 TYR  HB+         5.00    (#   1436:20        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1436, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   91 ASP  HN           89 ASP  HB+         5.50    (#   1437:20        Unique  4.37, 4.96 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1426,1427,
 &end
#
#   90 ASP  HN           89 ASP  HB+         3.80    (#   1438:20        Unique  2.10, 3.11 A)
 &rst
  ixpk= 1438, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1426,1427,
 &end
#
#   90 ASP  HN           89 ASP  HB-         3.80    (#   1440:20        Unique  2.10, 3.11 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1426,1427,
 &end
#
#   91 ASP  HN           91 ASP  HB+         3.00    (#   1441:20        Unique  2.20, 2.94 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1450,1451,
 &end
#
#   92 VAL  HN           91 ASP  HB+         4.00    (#   1442:20        Unique  2.82, 3.61 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1450,1451,
 &end
#
#   94 THR  HN           93 TYR  HB-         5.00    (#   1443:20        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   91 ASP  HN           91 ASP  HB-         4.00    (#   1444:20        Unique  2.20, 2.94 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1450,1451,
 &end
#
#   93 TYR  HA           93 TYR  HB-         5.00    (#   1447:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1478,1479,
 &end
#
#   93 TYR  HN           93 TYR  HB+         6.00    (#   1449:20        Unique  2.82, 3.38 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1478,1479,
 &end
#
#   93 TYR  HD           93 TYR  HB+         5.00    (#   1450:20        Unique  2.31, 3.06 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1482,1491,
 igr2=1478,1479,
 &end
#
#  107 ASP  HN          107 ASP  HB-         3.00    (#   1455:20        Unique  2.09, 2.94 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#  118 TYR  HN          117 LEU  HB-         4.00    (#   1456:20        Unique  2.60, 3.19 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1835,1836,
 &end
#
#  117 LEU  HN          117 LEU  HB-         3.80    (#   1457:20        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1835,1836,
 &end
#
#  117 LEU  HN          117 LEU  HB+         3.50    (#   1458:20        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1835,1836,
 &end
#
#  118 TYR  HN          117 LEU  HB+         3.80    (#   1459:20        Unique  2.60, 3.19 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1835,1836,
 &end
#
#  107 ASP  HN          107 ASP  HB+         3.00    (#   1461:20        Unique  2.09, 2.94 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=1686,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#   90 ASP  HN           90 ASP  HB+         3.00    (#   1462:20        Unique  2.41, 2.90 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=1434,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1438,1439,
 &end
#
#   91 ASP  HN           90 ASP  HB+         3.70    (#   1463:20        Unique  3.12, 3.68 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1438,1439,
 &end
#
#   22 ALA  HN           21 ASP  HB-         4.00    (#   1465:20        Unique  2.21, 3.32 A)
 &rst
  ixpk= 1465, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 339, 340,
 &end
#
#   47 LYS  HN          103 ILE  HB          5.00    (#   1466:20        Unique  4.04, 4.22 A)
 &rst
  ixpk= 1466, nxpk= 20, iat= 750,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 MET  HN          103 ILE  HB          5.50    (#   1467:20        Unique  4.92, 5.07 A)
 &rst
  ixpk= 1467, nxpk= 20, iat= 726,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP  HN           21 ASP  HB+         3.20    (#   1468:20        Unique  2.35, 2.76 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 339, 340,
 &end
#
#   22 ALA  HN           21 ASP  HB+         5.00    (#   1469:20        Unique  2.21, 3.32 A)
 &rst
  ixpk= 1469, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 339, 340,
 &end
#
#  103 ILE  HN          103 ILE  HB          3.00    (#   1471:20        Unique  2.21, 2.37 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=1627,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-         103 ILE  HB          5.50    (#   1472:20        Unique  2.38, 3.85 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 745, 746,
 &end
#
#  115 ASP  HN          115 ASP  HB+         3.50    (#   1473:20        Unique  2.08, 2.82 A)
 &rst
  ixpk= 1473, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          115 ASP  HB+         3.50    (#   1474:20        Unique  2.52, 2.98 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          115 ASP  HB-         3.50    (#   1475:20        Unique  2.52, 2.98 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  115 ASP  HN          115 ASP  HB-         3.50    (#   1476:20        Unique  2.08, 2.82 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1799,1800,
 &end
#
#  108 ASP  HN          108 ASP  HB+         3.00    (#   1477:20        Unique  2.07, 2.76 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#  108 ASP  HN          108 ASP  HB-         3.00    (#   1478:20        Unique  2.07, 2.76 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1702,1703,
 &end
#
#  109 THR  HN          108 ASP  HB-         3.50    (#   1479:20        Unique  2.52, 2.89 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   40 LEU  HN           40 LEU  HB+         3.50    (#   1480:20        Unique  2.10, 2.83 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:1481     0 AMB  20-1:1481   3.50    (#   1481:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 672, 657,
 igr2= 642, 643, 642, 643,
 &end
#
#   40 LEU  HN           40 LEU  HB-         3.50    (#   1482:20        Unique  2.10, 2.83 A)
 &rst
  ixpk= 1482, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:1483    40 LEU  HB-         4.00    (#   1483:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 716, 720, 682, 686,
 igr2= 642, 643,
 &end
#
#   42 PHE  HD           42 PHE  HB-         3.50    (#   1485:20        Unique  2.33, 3.04 A)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 688,
 igr2= 676, 677,
 &end
#
#   33 TYR  HN           33 TYR  HB+         3.00    (#   1487:20        Unique  2.29, 2.54 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   34 TYR  HN           33 TYR  HB+         4.50    (#   1488:20        Unique  2.27, 3.09 A)
 &rst
  ixpk= 1488, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   42 PHE  HD           42 PHE  HB+         3.00    (#   1491:20        Unique  2.33, 3.04 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 680, 688,
 igr2= 676, 677,
 &end
#
#   35 TYR  HN           35 TYR  HB+         3.50    (#   1492:20        Unique  2.12, 3.00 A)
 &rst
  ixpk= 1492, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 564, 565,
 &end
#
#   35 TYR  HD           35 TYR  HB+         3.50    (#   1493:20        Unique  2.31, 3.05 A)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 568, 577,
 igr2= 564, 565,
 &end
#
#  104 ASP  HN          104 ASP  HB+         3.00    (#   1495:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1650,1651,
 &end
#
#  105 VAL  HN          104 ASP  HB+         4.80    (#   1496:20        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1650,1651,
 &end
#
#  104 ASP  HN          104 ASP  HB-         4.00    (#   1497:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1650,1651,
 &end
#
#  105 VAL  HN          104 ASP  HB-         4.00    (#   1498:20        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1650,1651,
 &end
#
#   58 ILE  HN           58 ILE  HB          3.00    (#   1499:20        Unique  2.32, 3.09 A)
 &rst
  ixpk= 1499, nxpk= 20, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HA          100 ILE  HB          3.00    (#   1500:20        Unique  2.59, 2.73 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=1585,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HN          100 ILE  HB          3.00    (#   1501:20        Unique  2.78, 2.92 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 GLU  HN          100 ILE  HB          4.50    (#   1502:20        Unique  3.95, 4.03 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=1602,1587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HN           14 ILE  HB          3.00    (#   1503:20        Unique  2.95, 3.40 A)
 &rst
  ixpk= 1503, nxpk= 20, iat= 237, 222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ILE  HN           14 ILE  HB          2.80    (#   1504:20        Unique  2.12, 2.21 A)
 &rst
  ixpk= 1504, nxpk= 20, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   71 ASP  HN           71 ASP  HB+         3.50    (#   1505:20        Unique  2.09, 2.95 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1161,1162,
 &end
#
#  118 TYR  HD          118 TYR  HB-         3.50    (#   1506:20        Unique  2.32, 3.07 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1858,1867,
 igr2=1854,1855,
 &end
#
#    0 AMB  20-2:1507   118 TYR  HB-         3.00    (#   1507:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1871,1850,
 igr2=1854,1855,
 &end
#
#    0 AMB  20-2:1508     0 AMB  20-1:1508   3.50    (#   1508:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1871,1850,
 igr2=1854,1855,1854,1855,
 &end
#
#  114 ALA  HN          113 ILE  HB          2.80    (#   1509:20        Unique  2.24, 2.29 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=1785,1770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  113 ILE  HN          113 ILE  HB          3.00    (#   1510:20        Unique  2.42, 2.52 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HD          126 PHE  HB-         3.50    (#   1511:20        Unique  2.29, 3.04 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2006,2014,
 igr2=2002,2003,
 &end
#
#  126 PHE  HN          126 PHE  HB+         4.00    (#   1513:20        Unique  2.66, 3.35 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#  126 PHE  HD          126 PHE  HB+         3.50    (#   1514:20        Unique  2.29, 3.04 A)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2006,2014,
 igr2=2002,2003,
 &end
#
#   85 ILE  HN           85 ILE  HB          3.00    (#   1515:20        Unique  3.60, 3.63 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=1367,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HA           85 ILE  HB          5.00    (#   1516:20        Unique  4.72, 4.84 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=1045,1371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HN           18 ILE  HB          4.50    (#   1517:20        Unique  1.91, 2.40 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 300, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ILE  HN           18 ILE  HB          4.50    (#   1518:20        Unique  2.36, 2.46 A)
 &rst
  ixpk= 1518, nxpk= 20, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  126 PHE  HN          126 PHE  HB-         4.00    (#   1519:20        Unique  2.66, 3.35 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=2002,2003,
 &end
#
#   34 TYR  HN           34 TYR  HB+         3.00    (#   1520:20        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1520, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 543, 544,
 &end
#
#   35 TYR  HN           34 TYR  HB+         3.50    (#   1521:20        Unique  2.40, 2.75 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD           34 TYR  HB+         3.50    (#   1522:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#   35 TYR  HN           34 TYR  HB-         3.50    (#   1525:20        Unique  2.40, 2.75 A)
 &rst
  ixpk= 1525, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 543, 544,
 &end
#
#   34 TYR  HD           34 TYR  HB-         3.00    (#   1527:20        Unique  2.30, 3.06 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 547, 556,
 igr2= 543, 544,
 &end
#
#   34 TYR  HN           34 TYR  HB-         4.00    (#   1528:20        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 543, 544,
 &end
#
#   26 GLU  HN           26 GLU  HG+         3.00    (#   1529:20        Unique  2.47, 3.13 A)
 &rst
  ixpk= 1529, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   23 GLU  HN           27 GLU  HG-         4.50    (#   1531:20        Unique  3.44, 4.07 A)
 &rst
  ixpk= 1531, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 428, 429,
 &end
#
#   19 ILE  HN           19 ILE  HB          4.00    (#   1532:20        Unique  3.29, 3.52 A)
 &rst
  ixpk= 1532, nxpk= 20, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HN           19 ILE  HB          5.00    (#   1533:20        Unique  2.75, 3.42 A)
 &rst
  ixpk= 1533, nxpk= 20, iat= 319, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:1534     0 AMB  20-1:1534   4.00    (#   1534:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1007, 796,
 igr2= 999,1000, 999,1000,
 &end
#
#   60 GLU  HN           60 GLU  HG+         4.20    (#   1535:20        Unique  2.16, 3.16 A)
 &rst
  ixpk= 1535, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 999,1000,
 &end
#
#   60 GLU  HA           60 GLU  HG+         3.30    (#   1536:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 1536, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 999,1000,
 &end
#
#    0 AMB  20-2:1538    27 GLU  HG-         4.00    (#   1538:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 406, 436, 384,
 igr2= 428, 429,
 &end
#
#   24 ASP  HN           27 GLU  HG-         4.00    (#   1539:20        Unique  3.23, 3.41 A)
 &rst
  ixpk= 1539, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 428, 429,
 &end
#
#   27 GLU  HN           27 GLU  HG-         3.00    (#   1540:20        Unique  1.90, 2.72 A)
 &rst
  ixpk= 1540, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 428, 429,
 &end
#
#   27 GLU  HN           27 GLU  HG+         3.00    (#   1541:20        Unique  1.90, 2.72 A)
 &rst
  ixpk= 1541, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 428, 429,
 &end
#
#    0 AMB  20-2:1542     0 AMB  20-1:1542   4.50    (#   1542:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1007, 796,1090,
 igr2= 999,1000,1066,1067,
 &end
#
#   60 GLU  HN           60 GLU  HG-         3.80    (#   1543:20        Unique  2.16, 3.16 A)
 &rst
  ixpk= 1543, nxpk= 20, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 999,1000,
 &end
#
#   60 GLU  HA           60 GLU  HG-         3.20    (#   1544:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 1544, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 999,1000,
 &end
#
#   81 GLU  HN           81 GLU  HG+         4.00    (#   1547:20        Unique  2.79, 3.47 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   81 GLU  HA           81 GLU  HG+         3.00    (#   1548:20        Unique  2.20, 2.64 A)
 &rst
  ixpk= 1548, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1321,1322,
 &end
#
#   81 GLU  HA           81 GLU  HG-         4.00    (#   1549:20        Unique  2.20, 2.64 A)
 &rst
  ixpk= 1549, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   81 GLU  HN           81 GLU  HG-         4.00    (#   1551:20        Unique  2.79, 3.47 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1321,1322,
 &end
#
#   16 THR  HN           15 GLU  HG+         3.50    (#   1552:20        Unique  2.48, 3.14 A)
 &rst
  ixpk= 1552, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 244, 245,
 &end
#
#   15 GLU  HN           15 GLU  HG+         4.00    (#   1553:20        Unique  3.81, 4.17 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 244, 245,
 &end
#
#    6 ARG  HN            5 GLU  HG-         5.50    (#   1554:20        Unique  2.45, 3.26 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  65,  66,
 &end
#
#    5 GLU  HN            5 GLU  HG-         5.50    (#   1555:20        Unique  2.14, 3.23 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  65,  66,
 &end
#
#    6 ARG  HN            5 GLU  HG+         5.50    (#   1556:20        Unique  2.45, 3.26 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  65,  66,
 &end
#
#    5 GLU  HN            5 GLU  HG+         5.00    (#   1557:20        Unique  2.14, 3.23 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  65,  66,
 &end
#
#   23 GLU  HN           23 GLU  HG-         5.00    (#   1558:20        Unique  2.87, 3.36 A)
 &rst
  ixpk= 1558, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 364, 365,
 &end
#
#   73 GLU  HN           73 GLU  HG-         3.00    (#   1559:20        Unique  2.68, 4.13 A)
 &rst
  ixpk= 1559, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1188,1189,
 &end
#
#   64 GLU  HN           63 VAL  HB          3.00    (#   1560:20        Unique  2.05, 2.30 A)
 &rst
  ixpk= 1560, nxpk= 20, iat=1059,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  HA            0 AMB  20-1:1561   4.00    (#   1561:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1561, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1047,1066,1067,
 &end
#
#   63 VAL  HA           63 VAL  HB          3.00    (#   1562:20        Unique  2.35, 2.51 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  HN          111 GLU  HG+         4.40    (#   1565:20        Unique  4.40, 4.63 A)
 &rst
  ixpk= 1565, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1748,1749,
 &end
#
#   17 GLU  HN           17 GLU  HG-         5.00    (#   1566:20        Unique  2.90, 3.52 A)
 &rst
  ixpk= 1566, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 273, 274,
 &end
#
#   18 ILE  HN           17 GLU  HG-         6.00    (#   1567:20        Unique  4.17, 4.54 A)
 &rst
  ixpk= 1567, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:1568     0 AMB  20-1:1568   5.50    (#   1568:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 977, 862,
 igr2= 984, 985, 984, 985,
 &end
#
#   79 TYR  HE           73 GLU  HG-         6.00    (#   1569:20        Unique  1.97, 5.88 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1287,1292,
 igr2=1188,1189,
 &end
#
#    0 AMB  20-2:1570    59 GLU  HG-         5.50    (#   1570:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 862, 992,
 igr2= 984, 985,
 &end
#
#   41 GLU  HN           41 GLU  HG+         3.00    (#   1572:20        Unique  2.05, 3.03 A)
 &rst
  ixpk= 1572, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 664, 665,
 &end
#
#   44 PHE  HN           43 PRO  HB-         4.00    (#   1573:20        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1573, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 699, 700,
 &end
#
#  102 ALA  HN          101 GLU  HG-         4.00    (#   1574:20        Unique  1.90, 3.62 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1609,1610,
 &end
#
#  126 PHE  HN          125 LYS  HB+         4.00    (#   1575:20        Unique  2.73, 4.10 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  125 LYS  HN          125 LYS  HB+         4.00    (#   1576:20        Unique  2.77, 3.67 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  126 PHE  HN          125 LYS  HB-         4.00    (#   1577:20        Unique  2.73, 4.10 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#  125 LYS  HN          125 LYS  HB-         4.00    (#   1578:20        Unique  2.77, 3.67 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1980,1981,
 &end
#
#   48 TRP  HN           61 LYS  HB-         4.50    (#   1579:20        Unique  3.41, 3.90 A)
 &rst
  ixpk= 1579, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1011,1012,
 &end
#
#   62 THR  HN           61 LYS  HB-         4.00    (#   1580:20        Unique  4.00, 4.38 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HB-         3.50    (#   1581:20        Unique  2.33, 2.81 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:1582    61 LYS  HB-         6.00    (#   1582:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 780,1482,1491,
 igr2=1011,1012,
 &end
#
#   48 TRP  HN           61 LYS  HB+         4.50    (#   1583:20        Unique  3.41, 3.90 A)
 &rst
  ixpk= 1583, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1011,1012,
 &end
#
#   62 THR  HN           61 LYS  HB+         4.80    (#   1584:20        Unique  4.00, 4.38 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HB+         3.50    (#   1585:20        Unique  2.33, 2.81 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1011,1012,
 &end
#
#   60 GLU  HA           61 LYS  HB+         5.00    (#   1586:20        Unique  3.98, 4.68 A)
 &rst
  ixpk= 1586, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1011,1012,
 &end
#
#    0 AMB  20-2:1587     0 AMB  20-1:1587   6.50    (#   1587:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1= 780,1482,1491,
 igr2=1011,1012,1011,1012,
 &end
#
#    8 GLU  HN            8 GLU  HG+         3.00    (#   1588:20        Unique  2.39, 3.26 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 116, 117,
 &end
#
#    9 THR  HN            8 GLU  HG+         5.00    (#   1589:20        Unique  4.41, 4.73 A)
 &rst
  ixpk= 1589, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 116, 117,
 &end
#
#   82 VAL  HA           82 VAL  HB          3.00    (#   1590:20        Unique  2.36, 2.57 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=1331,1333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 GLY  HN           80 VAL  HB          4.00    (#   1593:20        Unique  2.27, 3.08 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=1109,1302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:1594    82 VAL  HB          4.50    (#   1594:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1345,1059,
 &end
#
#   78 MET  HA           78 MET  HB-         3.50    (#   1595:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1264,1265,
 &end
#
#    0 AMB  20-2:1596     0 AMB  20-1:1596   3.00    (#   1596:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1300,1228,
 igr2=1302,1230,1231,
 &end
#
#  105 VAL  HN          105 VAL  HB          4.20    (#   1598:20        Unique  3.72, 3.79 A)
 &rst
  ixpk= 1598, nxpk= 20, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   76 LYS  HN           76 LYS  HB-         4.00    (#   1599:20        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1230,1231,
 &end
#
#   76 LYS  HA           76 LYS  HB-         3.00    (#   1600:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1230,1231,
 &end
#
#   76 LYS  HN           76 LYS  HB+         4.00    (#   1601:20        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1230,1231,
 &end
#
#    0 AMB  20-2:1602     0 AMB  20-1:1602   5.00    (#   1602:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1207, 714, 722,
 igr2=1230,1231,1302,
 &end
#
#  106 ASP  HN          105 VAL  HB          4.00    (#   1603:20        Unique  1.94, 2.15 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=1674,1662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HN           76 LYS  HB-         4.00    (#   1604:20        Unique  2.35, 3.34 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1230,1231,
 &end
#
#   48 TRP  HN           47 LYS  HB+         5.00    (#   1605:20        Unique  3.92, 4.33 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 754, 755,
 &end
#
#   47 LYS  HN           47 LYS  HB+         3.00    (#   1606:20        Unique  2.14, 2.70 A)
 &rst
  ixpk= 1606, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HA           47 LYS  HB+         3.00    (#   1607:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HN           47 LYS  HB-         3.00    (#   1608:20        Unique  2.14, 2.70 A)
 &rst
  ixpk= 1608, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   47 LYS  HA           47 LYS  HB-         3.00    (#   1610:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 1610, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 754, 755,
 &end
#
#   48 TRP  HN           47 LYS  HB-         4.00    (#   1611:20        Unique  3.92, 4.33 A)
 &rst
  ixpk= 1611, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 754, 755,
 &end
#
#    4 VAL  HN            4 VAL  HB          3.50    (#   1613:20        Unique  2.71, 2.87 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  42,  46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HN           92 VAL  HB          6.00    (#   1615:20        Unique  3.43, 3.71 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=1474,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 VAL  HN           92 VAL  HB          3.00    (#   1616:20        Unique  3.20, 3.55 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HN          110 GLN  HG+         5.00    (#   1618:20        Unique  3.79, 4.48 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1731,1732,
 &end
#
#  110 GLN  HN          110 GLN  HG+         4.00    (#   1619:20        Unique  4.00, 4.39 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2-        110 GLN  HG+         4.00    (#   1622:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2+        110 GLN  HG+         4.00    (#   1623:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#   51 LYS  HN           50 LYS  HB+         4.00    (#   1624:20        Unique  3.14, 3.78 A)
 &rst
  ixpk= 1624, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 822, 823,
 &end
#
#   50 LYS  HN           50 LYS  HB+         3.00    (#   1625:20        Unique  2.40, 2.61 A)
 &rst
  ixpk= 1625, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#  124 TYR  HN          124 TYR  HB+         4.00    (#   1626:20        Unique  2.39, 3.11 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1959,1960,
 &end
#
#   50 LYS  HN           50 LYS  HB-         3.00    (#   1628:20        Unique  2.40, 2.61 A)
 &rst
  ixpk= 1628, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823,
 &end
#
#  124 TYR  HN          124 TYR  HB-         3.00    (#   1630:20        Unique  2.39, 3.11 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1959,1960,
 &end
#
#   30 MET  HN           30 MET  HB+         3.50    (#   1631:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1631, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#   30 MET  HN           30 MET  HB-         3.50    (#   1632:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1632, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#   45 MET  HN           45 MET  HB-         3.00    (#   1633:20        Unique  2.15, 2.87 A)
 &rst
  ixpk= 1633, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   30 MET  HN           30 MET  HG+         3.50    (#   1634:20        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1634, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#   46 GLY  HN           45 MET  HB+         4.00    (#   1635:20        Unique  2.96, 3.72 A)
 &rst
  ixpk= 1635, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 730, 731,
 &end
#
#   44 PHE  HA           45 MET  HB+         5.50    (#   1636:20        Unique  4.14, 4.83 A)
 &rst
  ixpk= 1636, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 730, 731,
 &end
#
#  125 LYS  HN          124 TYR  HB+         3.50    (#   1637:20        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1959,1960,
 &end
#
#   45 MET  HA           45 MET  HB-         3.00    (#   1639:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 1639, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   46 GLY  HN           45 MET  HB-         5.00    (#   1640:20        Unique  2.96, 3.72 A)
 &rst
  ixpk= 1640, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 730, 731,
 &end
#
#   45 MET  HA           45 MET  HB+         3.00    (#   1641:20        Unique  2.23, 2.49 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 730, 731,
 &end
#
#   45 MET  HN           45 MET  HB+         3.80    (#   1642:20        Unique  2.15, 2.87 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 730, 731,
 &end
#
#   30 MET  HN           30 MET  HG-         3.50    (#   1643:20        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1643, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 477, 478,
 &end
#
#   51 LYS  HN           51 LYS  HB-         3.00    (#   1644:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 1644, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 844, 845,
 &end
#
#   89 ASP  HN           88 LYS  HB+         4.50    (#   1645:20        Unique  2.67, 3.52 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:1646    88 LYS  HB-         4.50    (#   1646:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1434,1422,
 igr2=1404,1405,
 &end
#
#   45 MET  HN           45 MET  HG+         4.00    (#   1647:20        Unique  3.12, 3.34 A)
 &rst
  ixpk= 1647, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   46 GLY  HN           45 MET  HG+         5.00    (#   1648:20        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1648, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 733, 734,
 &end
#
#   45 MET  HA           45 MET  HG+         4.00    (#   1649:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 1649, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   44 PHE  HA           45 MET  HG+         6.50    (#   1650:20        Unique  5.17, 5.43 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2= 733, 734,
 &end
#
#   45 MET  HN           45 MET  HG-         4.00    (#   1651:20        Unique  3.12, 3.34 A)
 &rst
  ixpk= 1651, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   46 GLY  HN           45 MET  HG-         4.00    (#   1652:20        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1652, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   45 MET  HA           45 MET  HG-         4.00    (#   1653:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 1653, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 733, 734,
 &end
#
#   46 GLY  HA-          45 MET  HG-         5.00    (#   1654:20        Unique  3.03, 4.70 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2= 733, 734,
 &end
#
#   71 ASP  HN           70 PRO  HB+         3.50    (#   1656:20        Unique  2.18, 3.15 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1150,1151,
 &end
#
#   96 LYS  HN           96 LYS  HB+         4.00    (#   1657:20        Unique  3.29, 3.82 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1523,1524,
 &end
#
#   96 LYS  HN           96 LYS  HB-         4.00    (#   1659:20        Unique  3.29, 3.82 A)
 &rst
  ixpk= 1659, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1523,1524,
 &end
#
#   49 LYS  HN           49 LYS  HB-         3.80    (#   1660:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 800, 801,
 &end
#
#   23 GLU  HN           23 GLU  HB+         3.00    (#   1661:20        Unique  2.59, 3.25 A)
 &rst
  ixpk= 1661, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 361, 362,
 &end
#
#   49 LYS  HN           49 LYS  HB+         3.00    (#   1662:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 1662, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 800, 801,
 &end
#
#    0 AMB  20-2:1664     0 AMB  20-1:1664   6.00    (#   1664:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 528, 533, 281,
 igr2=1123,1124, 270, 271,
 &end
#
#    0 AMB  20-2:1666     0 AMB  20-1:1666   4.00    (#   1666:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1074, 772,
 igr2=1063,1064,1606,1607,
 &end
#
#   64 GLU  HN           64 GLU  HB+         3.00    (#   1667:20        Unique  2.51, 2.89 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1063,1064,
 &end
#
#   17 GLU  HN           17 GLU  HB-         5.00    (#   1671:20        Unique  2.76, 3.34 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 270, 271,
 &end
#
#   65 VAL  HN           64 GLU  HB-         5.00    (#   1672:20        Unique  4.19, 4.31 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1063,1064,
 &end
#
#   64 GLU  HN           64 GLU  HB-         3.00    (#   1673:20        Unique  2.51, 2.89 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1063,1064,
 &end
#
#  101 GLU  HN          101 GLU  HB+         3.00    (#   1675:20        Unique  2.55, 2.84 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1606,1607,
 &end
#
#  100 ILE  HA          101 GLU  HB+         4.00    (#   1676:20        Unique  4.19, 4.49 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1606,1607,
 &end
#
#   68 MET  HN           68 MET  HG-         4.00    (#   1677:20        Unique  1.69, 4.06 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1123,1124,
 &end
#
#   46 GLY  HA-         101 GLU  HB-         5.00    (#   1678:20        Unique  3.84, 5.21 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2=1606,1607,
 &end
#
#   60 GLU  HA           60 GLU  HB+         3.00    (#   1679:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 1679, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 996, 997,
 &end
#
#    0 AMB  20-2:1680     0 AMB  20-1:1680   4.00    (#   1680:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1007, 873,
 igr2= 996, 997, 981, 982,
 &end
#
#   50 LYS  HN           59 GLU  HB+         4.80    (#   1681:20        Unique  3.39, 4.20 A)
 &rst
  ixpk= 1681, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 981, 982,
 &end
#
#    0 AMB  20-2:1682     0 AMB  20-1:1682   5.00    (#   1682:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 992, 862,
 igr2= 996, 997, 981, 982,
 &end
#
#   18 ILE  HN           17 GLU  HB-         5.00    (#   1683:20        Unique  2.65, 3.36 A)
 &rst
  ixpk= 1683, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 270, 271,
 &end
#
#    0 AMB  20-2:1684    59 GLU  HB-         5.50    (#   1684:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 862, 992,
 igr2= 981, 982,
 &end
#
#    0 AMB  20-2:1685     0 AMB  20-1:1685   5.00    (#   1685:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 752, 745, 746,
 igr2= 776, 777, 776, 777,
 &end
#
#   48 TRP  HN           48 TRP  HB+         3.00    (#   1686:20        Unique  2.33, 2.55 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 776, 777,
 &end
#
#    0 AMB  20-2:1688    48 TRP  HB-         5.00    (#   1688:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 752, 745, 746,
 igr2= 776, 777,
 &end
#
#   48 TRP  HN           48 TRP  HB-         3.00    (#   1689:20        Unique  2.33, 2.55 A)
 &rst
  ixpk= 1689, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 776, 777,
 &end
#
#   48 TRP  HA           48 TRP  HB-         3.50    (#   1690:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 1690, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   48 TRP  HA           48 TRP  HB+         3.50    (#   1691:20        Unique  2.51, 2.78 A)
 &rst
  ixpk= 1691, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 776, 777,
 &end
#
#   61 LYS  HN           48 TRP  HB+         4.00    (#   1692:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   61 LYS  HN           48 TRP  HB+         4.00    (#   1693:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#    6 ARG  HN            6 ARG  HB-         3.00    (#   1694:20        Unique  2.38, 3.35 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  77,  78,
 &end
#
#   21 ASP  HN           20 VAL  HB          4.50    (#   1698:20        Unique  1.80, 1.87 A)
 &rst
  ixpk= 1698, nxpk= 20, iat= 335, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 VAL  HN           20 VAL  HB          4.00    (#   1699:20        Unique  3.56, 3.64 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HN           81 GLU  HB+         3.50    (#   1700:20        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1318,1319,
 &end
#
#   81 GLU  HA           81 GLU  HB+         3.00    (#   1701:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 1701, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1318,1319,
 &end
#
#   81 GLU  HN           81 GLU  HB-         4.00    (#   1702:20        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1318,1319,
 &end
#
#   81 GLU  HA           81 GLU  HB-         3.50    (#   1703:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1318,1319,
 &end
#
#   15 GLU  HN           15 GLU  HB+         3.00    (#   1705:20        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1705, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 241, 242,
 &end
#
#    0 AMB  20-2:1706     0 AMB  20-1:1706   4.00    (#   1706:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 372, 252,
 igr2= 425, 426, 241, 242,
 &end
#
#    6 ARG  HN            5 GLU  HB+         5.00    (#   1707:20        Unique  1.85, 2.71 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  62,  63,
 &end
#
#    5 GLU  HN            5 GLU  HB+         5.50    (#   1708:20        Unique  2.37, 3.06 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  62,  63,
 &end
#
#   15 GLU  HN           15 GLU  HB-         3.00    (#   1709:20        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 241, 242,
 &end
#
#  113 ILE  HN          113 ILE  HG1+        3.50    (#   1711:20        Unique  1.96, 3.10 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#    5 GLU  HN            5 GLU  HB-         5.00    (#   1712:20        Unique  2.37, 3.06 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  62,  63,
 &end
#
#  113 ILE  HN          113 ILE  HG1-        3.50    (#   1714:20        Unique  1.96, 3.10 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#  117 LEU  HN          116 TRP  HB-         4.00    (#   1715:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1811,1812,
 &end
#
#  111 GLU  HN          111 GLU  HB+         3.00    (#   1716:20        Unique  2.44, 3.04 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#  112 ALA  HN          111 GLU  HB+         3.00    (#   1717:20        Unique  2.40, 2.91 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1745,1746,
 &end
#
#   73 GLU  HN           73 GLU  HB-         3.50    (#   1718:20        Unique  2.51, 3.13 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1185,1186,
 &end
#
#   13 ARG  HN           13 ARG  HB+         3.50    (#   1719:20        Unique  2.70, 3.19 A)
 &rst
  ixpk= 1719, nxpk= 20, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 198, 199,
 &end
#
#  116 TRP  HN          116 TRP  HB+         3.00    (#   1721:20        Unique  2.12, 2.57 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1811,1812,
 &end
#
#  116 TRP  HN          116 TRP  HB-         3.00    (#   1722:20        Unique  2.12, 2.57 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1807,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1811,1812,
 &end
#
#   25 LYS  HN           25 LYS  HD+         4.20    (#   1723:20        Unique  1.93, 3.17 A)
 &rst
  ixpk= 1723, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 394, 395,
 &end
#
#   96 LYS  HN           96 LYS  HD+         4.20    (#   1725:20        Unique  2.32, 3.47 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1529,1530,
 &end
#
#   65 VAL  HN           65 VAL  HB          4.00    (#   1727:20        Unique  2.32, 2.50 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 CYS  HN           74 CYS  HB+         3.80    (#   1728:20        Unique  2.45, 3.14 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1200,1201,
 &end
#
#   74 CYS  HA           74 CYS  HB+         3.00    (#   1729:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1200,1201,
 &end
#
#   74 CYS  HA           74 CYS  HB-         3.00    (#   1730:20        Unique  2.38, 2.57 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1200,1201,
 &end
#
#   74 CYS  HN           74 CYS  HB-         4.50    (#   1731:20        Unique  2.45, 3.14 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=1196,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1200,1201,
 &end
#
#    0 AMB  20-2:1734     0 AMB  20-1:1734   5.00    (#   1734:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 796,1007,
 igr2= 806, 807, 806, 807,
 &end
#
#   44 PHE  HN           65 VAL  HB          4.50    (#   1736:20        Unique  1.70, 2.08 A)
 &rst
  ixpk= 1736, nxpk= 20, iat= 706,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 GLU  HN            8 GLU  HB+         4.00    (#   1737:20        Unique  2.60, 3.76 A)
 &rst
  ixpk= 1737, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 113, 114,
 &end
#
#    8 GLU  HN            8 GLU  HB-         4.00    (#   1738:20        Unique  2.60, 3.76 A)
 &rst
  ixpk= 1738, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 113, 114,
 &end
#
#   76 LYS  HA           76 LYS  HD+         4.20    (#   1740:20        Unique  3.89, 4.51 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1236,1237,
 &end
#
#   51 LYS  HN           51 LYS  HD+         5.00    (#   1742:20        Unique  3.10, 3.91 A)
 &rst
  ixpk= 1742, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 850, 851,
 &end
#
#   47 LYS  HA           47 LYS  HD-         3.00    (#   1744:20        Unique  1.85, 2.38 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 760, 761,
 &end
#
#    0 AMB  20-2:1745     0 AMB  20-1:1745   4.00    (#   1745:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1029,1355,
 igr2= 760, 761,1017,1018,1017,1018,
 &end
#
#   93 TYR  HD           61 LYS  HD+         6.50    (#   1746:20        Unique  3.74, 6.04 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1482,1491,
 igr2=1017,1018,
 &end
#
#   26 GLU  HN           26 GLU  HB+         3.00    (#   1751:20        Unique  2.32, 3.02 A)
 &rst
  ixpk= 1751, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 410, 411,
 &end
#
#   27 GLU  HN           26 GLU  HB+         3.50    (#   1752:20        Unique  2.10, 2.73 A)
 &rst
  ixpk= 1752, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 410, 411,
 &end
#
#  110 GLN  HN          110 GLN  HB+         3.00    (#   1753:20        Unique  2.15, 2.56 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  111 GLU  HN          110 GLN  HB+         3.50    (#   1754:20        Unique  2.07, 2.75 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1728,1729,
 &end
#
#   26 GLU  HN           26 GLU  HB-         3.80    (#   1755:20        Unique  2.32, 3.02 A)
 &rst
  ixpk= 1755, nxpk= 20, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 410, 411,
 &end
#
#  111 GLU  HN          110 GLN  HB-         3.00    (#   1756:20        Unique  2.07, 2.75 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  110 GLN  HN          110 GLN  HB-         3.00    (#   1757:20        Unique  2.15, 2.56 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1728,1729,
 &end
#
#  125 LYS  HN          125 LYS  HD+         5.00    (#   1758:20        Unique  3.28, 4.36 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1986,1987,
 &end
#
#   61 LYS  HN            0 AMB  20-1:1759   5.00    (#   1759:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1759, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 760, 761,1017,1018,
 &end
#
#   48 TRP  HZ3          61 LYS  HD+         6.00    (#   1761:20        Unique  5.00, 5.78 A)
 &rst
  ixpk= 1761, nxpk= 20, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1017,1018,
 &end
#
#    7 ASP  HN            6 ARG  HG+         4.40    (#   1763:20        Unique  1.97, 3.10 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=  80,  81,
 &end
#
#    6 ARG  HN            6 ARG  HG+         5.00    (#   1764:20        Unique  1.83, 3.25 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  80,  81,
 &end
#
#   32 TRP  HN           32 TRP  HB+         3.50    (#   1765:20        Unique  2.19, 2.91 A)
 &rst
  ixpk= 1765, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   11 GLU  HN           11 GLU  HB-         3.50    (#   1766:20        Unique  2.27, 2.97 A)
 &rst
  ixpk= 1766, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 166, 167,
 &end
#
#   41 GLU  HN           41 GLU  HB+         4.00    (#   1768:20        Unique  2.21, 3.12 A)
 &rst
  ixpk= 1768, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 661, 662,
 &end
#
#   41 GLU  HN           41 GLU  HB-         4.00    (#   1769:20        Unique  2.21, 3.12 A)
 &rst
  ixpk= 1769, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 661, 662,
 &end
#
#  119 TRP  HN          119 TRP  HB+         3.00    (#   1770:20        Unique  2.08, 2.62 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1875,1876,
 &end
#
#  119 TRP  HN          119 TRP  HB-         3.00    (#   1771:20        Unique  2.08, 2.62 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1875,1876,
 &end
#
#   58 ILE  HN           58 ILE  HG1-        4.00    (#   1772:20        Unique  2.68, 3.44 A)
 &rst
  ixpk= 1772, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   84 ASP  HA           85 ILE  HG1+        5.00    (#   1773:20        Unique  3.78, 4.32 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1377,1378,
 &end
#
#   58 ILE  HN           58 ILE  HG1+        4.00    (#   1774:20        Unique  2.68, 3.44 A)
 &rst
  ixpk= 1774, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   36 LEU  HN           36 LEU  HG          4.20    (#   1775:20        Unique  4.34, 4.41 A)
 &rst
  ixpk= 1775, nxpk= 20, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   40 LEU  HN           40 LEU  HG          4.00    (#   1776:20        Unique  3.83, 4.08 A)
 &rst
  ixpk= 1776, nxpk= 20, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LYS  HN           75 LEU  HG          5.50    (#   1777:20        Unique  4.46, 4.67 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=1226,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 LEU  HN           75 LEU  HG          4.50    (#   1778:20        Unique  2.90, 3.06 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 CYS  HN           75 LEU  HG          6.20    (#   1779:20        Unique  3.68, 3.85 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=1196,1214, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.70,  &end
#
#   85 ILE  HN           85 ILE  HG1-        3.00    (#   1780:20        Unique  1.84, 2.37 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#    0 AMB  20-2:1781    85 ILE  HG1-        4.00    (#   1781:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1059,1386,1029,
 igr2=1377,1378,
 &end
#
#   63 VAL  HA           85 ILE  HG1-        3.50    (#   1782:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#   85 ILE  HN           85 ILE  HG1+        3.00    (#   1783:20        Unique  1.84, 2.37 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1377,1378,
 &end
#
#   63 VAL  HA           85 ILE  HG1+        3.50    (#   1784:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#    0 AMB  20-2:1785     0 AMB  20-1:1785   5.00    (#   1785:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1059,1386,1029,
 igr2=1377,1378,1377,1378,1377,1378,
 &end
#
#  117 LEU  HN          117 LEU  HG          3.00    (#   1786:20        Unique  2.16, 2.55 A)
 &rst
  ixpk= 1786, nxpk= 20, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:1787   117 LEU  HG          5.00    (#   1787:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,1838, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,1914,
 &end
#
#   47 LYS  HN          103 ILE  HG1+        5.00    (#   1788:20        Unique  2.38, 4.37 A)
 &rst
  ixpk= 1788, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1637,1638,
 &end
#
#  116 TRP  HE1          97 LEU  MDY         6.00    (#   1789:20        Unique  4.00, 6.00 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   97 LEU  HN           97 LEU  MDY         4.00    (#   1790:20        Unique  1.86, 3.39 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   44 PHE  HE           97 LEU  MDY         5.00    (#   1791:20        Unique  3.20, 5.71 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 716, 720,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   47 LYS  HN          103 ILE  HG1-        4.00    (#   1793:20        Unique  2.38, 4.37 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1637,1638,
 &end
#
#   46 GLY  HA-         103 ILE  HG1-        5.00    (#   1794:20        Unique  2.89, 5.31 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2=1637,1638,
 &end
#
#    0 AMB  20-2:1795   103 ILE  HG1-        3.50    (#   1795:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1627,1646,
 igr2=1637,1638,
 &end
#
#   19 ILE  HN           19 ILE  HG1-        3.00    (#   1796:20        Unique  1.82, 2.66 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#   19 ILE  HN           19 ILE  HG1+        3.00    (#   1797:20        Unique  1.82, 2.66 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 310, 311,
 &end
#
#    0 AMB  20-2:1798     0 AMB  20-1:1798   3.50    (#   1798:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1627,1646,
 igr2=1637,1638,1637,1638,
 &end
#
#   46 GLY  HA-         103 ILE  HG1+        5.00    (#   1799:20        Unique  2.89, 5.31 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 745, 746,
 igr2=1637,1638,
 &end
#
#   96 LYS  HN           96 LYS  HG+         4.00    (#   1802:20        Unique  3.15, 4.15 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1526,1527,
 &end
#
#  100 ILE  HN          100 ILE  HG1-        4.00    (#   1803:20        Unique  4.46, 4.71 A)
 &rst
  ixpk= 1803, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  100 ILE  HA          100 ILE  HG1-        3.00    (#   1804:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 1804, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#  100 ILE  HN          100 ILE  HG1+        4.00    (#   1805:20        Unique  4.46, 4.71 A)
 &rst
  ixpk= 1805, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  100 ILE  HA          100 ILE  HG1+        3.00    (#   1806:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1593,1594,
 &end
#
#   40 LEU  HN           40 LEU  MDX         4.00    (#   1812:20        Unique  2.04, 3.86 A)
 &rst
  ixpk= 1812, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  116 TRP  HE1         120 LEU  MDY         4.00    (#   1815:20        Unique  2.34, 4.80 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  121 ALA  HN          120 LEU  MDY         4.00    (#   1816:20        Unique  2.39, 4.72 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HN            0 AMB  20-1:1817   4.00    (#   1817:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1817, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1904,1905,1906,1908,1909,1910,1928,1929,
 &end
#
#   40 LEU  HN           40 LEU  MDY         4.00    (#   1820:20        Unique  2.04, 3.86 A)
 &rst
  ixpk= 1820, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:1821    40 LEU  MDY         3.60    (#   1821:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 657, 672,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:1823     0 AMB  20-1:1823   4.00    (#   1823:20        Double  0.00, 0.00  )
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1345,1059,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   66 LEU  HN            0 AMB  20-1:1824   4.00    (#   1824:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1824, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   82 VAL  HA           66 LEU  MDY         5.00    (#   1825:20        Unique  2.10, 4.26 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   18 ILE  HN           18 ILE  HG1-        5.50    (#   1827:20        Unique  2.27, 3.33 A)
 &rst
  ixpk= 1827, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
#   36 LEU  HN           36 LEU  MDX         4.00    (#   1829:20        Unique  3.28, 5.03 A)
 &rst
  ixpk= 1829, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HN          117 LEU  MDX         4.50    (#   1833:20        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1834   117 LEU  MDX         4.50    (#   1834:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1850,1914,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#   76 LYS  HN           75 LEU  MDY         6.00    (#   1835:20        Unique  5.07, 6.06 A)
 &rst
  ixpk= 1835, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   76 LYS  HN           76 LYS  HG+         3.00    (#   1836:20        Unique  2.50, 3.53 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1233,1234,
 &end
#
#   77 ASP  HN           76 LYS  HG+         5.00    (#   1837:20        Unique  1.88, 3.95 A)
 &rst
  ixpk= 1837, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1233,1234,
 &end
#
#   75 LEU  HN           76 LYS  HG+         5.00    (#   1838:20        Unique  2.79, 4.36 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1233,1234,
 &end
#
#   76 LYS  HA           76 LYS  HG+         3.00    (#   1839:20        Unique  2.59, 3.32 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1233,1234,
 &end
#
#   49 LYS  HN           49 LYS  HG+         4.00    (#   1840:20        Unique  1.60, 2.62 A)
 &rst
  ixpk= 1840, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 803, 804,
 &end
#
#   50 LYS  HN            0 AMB  20-1:1841   6.00    (#   1841:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1841, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 803, 804, 757, 758,
 &end
#
#   49 LYS  HN           49 LYS  HG-         3.00    (#   1842:20        Unique  1.60, 2.62 A)
 &rst
  ixpk= 1842, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 803, 804,
 &end
#
#   60 GLU  HA           49 LYS  HG-         5.00    (#   1843:20        Unique  4.97, 5.62 A)
 &rst
  ixpk= 1843, nxpk= 20, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 803, 804,
 &end
#
#   75 LEU  HN           75 LEU  MDY         4.50    (#   1844:20        Unique  3.49, 4.88 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   47 LYS  HN           47 LYS  HG+         5.00    (#   1845:20        Unique  4.34, 4.53 A)
 &rst
  ixpk= 1845, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 757, 758,
 &end
#
#   51 LYS  HN           51 LYS  HG+         4.50    (#   1847:20        Unique  3.83, 4.38 A)
 &rst
  ixpk= 1847, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 847, 848,
 &end
#
#   48 TRP  HN           47 LYS  HG+         5.50    (#   1848:20        Unique  3.70, 4.64 A)
 &rst
  ixpk= 1848, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 757, 758,
 &end
#
#   47 LYS  HA           47 LYS  HG+         4.00    (#   1849:20        Unique  2.56, 3.12 A)
 &rst
  ixpk= 1849, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 757, 758,
 &end
#
#   47 LYS  HN           47 LYS  HG-         5.00    (#   1850:20        Unique  4.34, 4.53 A)
 &rst
  ixpk= 1850, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 757, 758,
 &end
#
#   47 LYS  HA           47 LYS  HG-         3.80    (#   1851:20        Unique  2.56, 3.12 A)
 &rst
  ixpk= 1851, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 757, 758,
 &end
#
#   48 TRP  HN            0 AMB  20-1:1853   5.00    (#   1853:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1853, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1014,1015,1014,1015,
 &end
#
#   62 THR  HN           61 LYS  HG-         5.00    (#   1854:20        Unique  3.49, 4.28 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1014,1015,
 &end
#
#   61 LYS  HN            0 AMB  20-1:1855   4.80    (#   1855:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1855, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1014,1015,1014,1015,
 &end
#
#   62 THR  HN           61 LYS  HG+         4.00    (#   1856:20        Unique  3.49, 4.28 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1014,1015,
 &end
#
#   25 LYS  HN           25 LYS  HG+         3.50    (#   1857:20        Unique  1.82, 3.07 A)
 &rst
  ixpk= 1857, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 391, 392,
 &end
#
#   25 LYS  HN           25 LYS  HG-         4.00    (#   1858:20        Unique  1.82, 3.07 A)
 &rst
  ixpk= 1858, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 391, 392,
 &end
#
#   81 GLU  HN           80 VAL  MGY         4.00    (#   1859:20        Unique  2.89, 4.55 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   69 ALA  HN           80 VAL  MGY         4.50    (#   1860:20        Unique  3.66, 5.81 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   67 GLY  HN           80 VAL  MGY         4.00    (#   1861:20        Unique  3.36, 4.96 A)
 &rst
  ixpk= 1861, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HA           80 VAL  MGY         3.00    (#   1862:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  125 LYS  HN          125 LYS  HG+         4.00    (#   1863:20        Unique  2.41, 3.50 A)
 &rst
  ixpk= 1863, nxpk= 20, iat=1976,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1983,1984,
 &end
#
#  126 PHE  HN          125 LYS  HG+         5.00    (#   1864:20        Unique  2.13, 4.90 A)
 &rst
  ixpk= 1864, nxpk= 20, iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1983,1984,
 &end
#
#   80 VAL  HN           80 VAL  MGY         4.00    (#   1865:20        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   42 PHE  HD           80 VAL  MGY         6.00    (#   1866:20        Unique  4.87, 7.89 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 680, 688,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   50 LYS  HN            0 AMB  20-1:1867   5.00    (#   1867:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1867, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 825, 826, 825, 826,
 &end
#
#   76 LYS  HN           75 LEU  MDX         6.00    (#   1869:20        Unique  5.07, 6.06 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:1870    75 LEU  MDX         5.00    (#   1870:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 406,1157,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   30 MET  HN           75 LEU  MDX         5.00    (#   1871:20        Unique  4.91, 7.15 A)
 &rst
  ixpk= 1871, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HN           75 LEU  MDX         4.00    (#   1873:20        Unique  3.49, 4.88 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   45 MET  HN          105 VAL  MGY         4.00    (#   1874:20        Unique  4.19, 6.36 A)
 &rst
  ixpk= 1874, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  106 ASP  HN          105 VAL  MGY         3.00    (#   1875:20        Unique  2.61, 4.12 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   44 PHE  HN          105 VAL  MGY         6.00    (#   1876:20        Unique  6.33, 8.45 A)
 &rst
  ixpk= 1876, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  105 VAL  HN          105 VAL  MGY         4.00    (#   1877:20        Unique  2.34, 3.31 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:1880   105 VAL  MGY         4.00    (#   1880:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 708, 745, 746,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   93 TYR  HN           82 VAL  MGY         6.50    (#   1882:20        Unique  2.29, 4.73 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1883    82 VAL  MGY         4.00    (#   1883:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1329,1059,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  HA           82 VAL  MGY         3.00    (#   1885:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HA           82 VAL  MGY         6.00    (#   1886:20        Unique  3.79, 5.32 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   65 VAL  HN           82 VAL  MGY         5.00    (#   1887:20        Unique  2.63, 5.15 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   66 LEU  HN           82 VAL  MGY         5.00    (#   1888:20        Unique  2.77, 5.50 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   67 GLY  HN           82 VAL  MGY         6.00    (#   1889:20        Unique  4.19, 7.09 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:1890    82 VAL  MGY         8.00    (#   1890:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1476,1300,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HN           83 ALA  MB          7.00    (#   1891:20        Unique  4.53, 5.47 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:1892    83 ALA  MB          3.00    (#   1892:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1345,1355,
 igr2=1349,1350,1351,
 &end
#
#   82 VAL  HA           83 ALA  MB          4.00    (#   1893:20        Unique  4.20, 4.84 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1349,1350,1351,
 &end
#
#   63 VAL  HA           83 ALA  MB          5.00    (#   1894:20        Unique  5.14, 5.83 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1349,1350,1351,
 &end
#
#   83 ALA  HA           83 ALA  MB          3.00    (#   1895:20        Unique  2.29, 2.63 A)
 &rst
  ixpk= 1895, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1349,1350,1351,
 &end
#
#    0 AMB  20-2:1896    78 MET  ME          4.00    (#   1896:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1260,1226,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:1897    78 MET  ME          4.00    (#   1897:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1277, 460,
 igr2=1271,1272,1273,
 &end
#
#   74 CYS  HA           78 MET  ME          5.00    (#   1900:20        Unique  3.11, 4.62 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1271,1272,1273,
 &end
#
#   78 MET  HA           78 MET  ME          3.00    (#   1901:20        Unique  1.89, 2.93 A)
 &rst
  ixpk= 1901, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:1902    94 THR  MG2         4.00    (#   1902:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1314,1495,
 igr2=1501,1502,1503,
 &end
#
#   94 THR  HA           94 THR  MG2         3.00    (#   1906:20        Unique  2.02, 2.85 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1501,1502,1503,
 &end
#
#   80 VAL  HN           94 THR  MG2         4.00    (#   1907:20        Unique  3.05, 4.10 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1501,1502,1503,
 &end
#
#   82 VAL  HN           94 THR  MG2         5.00    (#   1908:20        Unique  4.21, 5.40 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   69 ALA  HN           94 THR  MG2         5.00    (#   1909:20        Unique  3.54, 4.24 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1501,1502,1503,
 &end
#
#   40 LEU  HN           39 THR  MG2         4.00    (#   1911:20        Unique  2.83, 3.94 A)
 &rst
  ixpk= 1911, nxpk= 20, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 630, 631, 632,
 &end
#
#  112 ALA  HN           39 THR  MG2         4.00    (#   1912:20        Unique  3.65, 4.41 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 630, 631, 632,
 &end
#
#   63 VAL  HN           63 VAL  MGY         4.00    (#   1914:20        Unique  2.19, 3.56 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGY         3.50    (#   1915:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1916    63 VAL  MGY         5.00    (#   1916:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 772,1074,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:1917    63 VAL  MGY         4.00    (#   1917:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1345,1059,1355,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   85 ILE  HN           63 VAL  MGY         5.00    (#   1918:20        Unique  2.80, 4.96 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HE3          63 VAL  MGY         3.00    (#   1920:20        Unique  1.84, 3.62 A)
 &rst
  ixpk= 1920, nxpk= 20, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#  117 LEU  HN          117 LEU  MDY         4.00    (#   1921:20        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1921, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1922   117 LEU  MDY         5.00    (#   1922:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1850,1914,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:1923    66 LEU  MDX         4.00    (#   1923:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1345,1059,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   66 LEU  HN           66 LEU  MDX         4.00    (#   1924:20        Unique  1.94, 4.01 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   63 VAL  HN           62 THR  MG2         4.00    (#   1926:20        Unique  2.54, 3.72 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:1927    62 THR  MG2         4.00    (#   1927:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 752, 745, 746,
 igr2=1035,1036,1037,
 &end
#
#   62 THR  HA           62 THR  MG2         3.00    (#   1928:20        Unique  2.34, 2.97 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:1929    62 THR  MG2         5.00    (#   1929:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 772,1074,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:1930    62 THR  MG2         4.00    (#   1930:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1029,1386,
 igr2=1035,1036,1037,
 &end
#
#   65 VAL  HN           66 LEU  MDX         6.00    (#   1931:20        Unique  4.57, 6.45 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   65 VAL  HN           65 VAL  MGY         4.00    (#   1932:20        Unique  1.92, 3.82 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HN           65 VAL  MGY         4.00    (#   1933:20        Unique  2.23, 4.12 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   44 PHE  HN           65 VAL  MGY         4.50    (#   1934:20        Unique  1.67, 3.95 A)
 &rst
  ixpk= 1934, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   81 GLU  HN           65 VAL  MGY         6.00    (#   1935:20        Unique  3.62, 5.70 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   42 PHE  HD           65 VAL  MGY         4.00    (#   1936:20        Unique  1.96, 6.75 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 680, 688,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   67 GLY  HN           65 VAL  MGY         3.00    (#   1937:20        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   82 VAL  HA           65 VAL  MGY         5.00    (#   1939:20        Unique  3.28, 5.30 A)
 &rst
  ixpk= 1939, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   10 ARG  HN            9 THR  MG2         4.20    (#   1940:20        Unique  2.45, 3.79 A)
 &rst
  ixpk= 1940, nxpk= 20, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 130, 131, 132,
 &end
#
#    9 THR  HN            9 THR  MG2         4.00    (#   1942:20        Unique  2.56, 3.45 A)
 &rst
  ixpk= 1942, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 130, 131, 132,
 &end
#
#  110 GLN  HE2-         97 LEU  MDX         7.00    (#   1943:20        Unique  5.73, 9.32 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1736,1737,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   44 PHE  HE           97 LEU  MDX         4.00    (#   1944:20        Unique  3.20, 5.71 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 716, 720,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  119 TRP  HE1         120 LEU  MDX         5.00    (#   1945:20        Unique  3.46, 5.94 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=1881,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  121 ALA  HN          120 LEU  MDX         5.00    (#   1946:20        Unique  2.39, 4.72 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  119 TRP  HD1         120 LEU  MDX         4.10    (#   1947:20        Unique  3.91, 5.44 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   48 TRP  HE1          95 ALA  MB          6.50    (#   1950:20        Unique  4.99, 5.57 A)
 &rst
  ixpk= 1950, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1513,1514,1515,
 &end
#
#   96 LYS  HN           95 ALA  MB          5.00    (#   1951:20        Unique  1.82, 2.47 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1513,1514,1515,
 &end
#
#   94 THR  HA           95 ALA  MB          6.00    (#   1953:20        Unique  4.39, 5.02 A)
 &rst
  ixpk= 1953, nxpk= 20, iat=1497,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1513,1514,1515,
 &end
#
#   58 ILE  HN           57 THR  MG2         5.50    (#   1955:20        Unique  2.84, 4.11 A)
 &rst
  ixpk= 1955, nxpk= 20, iat= 958,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 950, 951, 952,
 &end
#
#  120 LEU  HN          120 LEU  MDX         4.00    (#   1956:20        Unique  3.70, 5.14 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   17 GLU  HN           16 THR  MG2         6.00    (#   1958:20        Unique  4.55, 5.19 A)
 &rst
  ixpk= 1958, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 258, 259, 260,
 &end
#
#   16 THR  HN           16 THR  MG2         3.00    (#   1959:20        Unique  2.06, 3.08 A)
 &rst
  ixpk= 1959, nxpk= 20, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 258, 259, 260,
 &end
#
#    0 AMB  20-2:1960    92 VAL  MGY         5.00    (#   1960:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1495,1314,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   93 TYR  HN           92 VAL  MGY         6.00    (#   1961:20        Unique  2.31, 4.33 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  MGY         3.00    (#   1962:20        Unique  2.94, 5.40 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   83 ALA  HA           92 VAL  MGY         4.00    (#   1963:20        Unique  2.27, 4.71 A)
 &rst
  ixpk= 1963, nxpk= 20, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:1964    92 VAL  MGY         6.00    (#   1964:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1316,1476,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:1965   109 THR  MG2         4.00    (#   1965:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1674,1741,
 igr2=1716,1717,1718,
 &end
#
#  110 GLN  HN          109 THR  MG2         4.00    (#   1966:20        Unique  2.57, 3.68 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#    0 AMB  20-2:1967     4 VAL  MGY         5.50    (#   1967:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  58,1871,1914,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  122 ARG  HN            4 VAL  MGY         5.00    (#   1968:20        Unique  2.74, 4.67 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HN            4 VAL  MGY         4.00    (#   1969:20        Unique  1.94, 3.75 A)
 &rst
  ixpk= 1969, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   21 ASP  HN           20 VAL  MGY         3.00    (#   1970:20        Unique  1.82, 3.82 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   17 GLU  HN           20 VAL  MGY         7.00    (#   1971:20        Unique  2.72, 5.44 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HN           20 VAL  MGY         4.50    (#   1972:20        Unique  2.61, 4.20 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   44 PHE  HE          102 ALA  MB          3.00    (#   1973:20        Unique  2.39, 5.53 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 716, 720,
 igr2=1621,1622,1623,
 &end
#
#   46 GLY  HA-         102 ALA  MB          5.00    (#   1974:20        Unique  4.43, 5.38 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 745, 746,
 igr2=1621,1622,1623,
 &end
#
#   92 VAL  HN           92 VAL  MGX         3.00    (#   1975:20        Unique  2.20, 3.71 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  102 ALA  HN          102 ALA  MB          3.00    (#   1976:20        Unique  2.26, 2.98 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1977   102 ALA  MB          3.50    (#   1977:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1627,1646,
 igr2=1621,1622,1623,
 &end
#
#   44 PHE  HD          102 ALA  MB          4.00    (#   1978:20        Unique  2.66, 5.85 A)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 714, 722,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:1980    65 VAL  MGX         5.00    (#   1980:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1329,1059,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   65 VAL  HN           65 VAL  MGX         3.00    (#   1982:20        Unique  1.92, 3.82 A)
 &rst
  ixpk= 1982, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   46 GLY  HN           65 VAL  MGX         4.00    (#   1983:20        Unique  3.93, 6.26 A)
 &rst
  ixpk= 1983, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HN           65 VAL  MGX         5.00    (#   1984:20        Unique  2.23, 4.12 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   44 PHE  HN           65 VAL  MGX         4.50    (#   1985:20        Unique  1.67, 3.95 A)
 &rst
  ixpk= 1985, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1986    65 VAL  MGX         4.00    (#   1986:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 680, 688, 714, 722,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#    0 AMB  20-2:1987    65 VAL  MGX         3.00    (#   1987:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 682, 686, 716, 720,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   45 MET  HA           65 VAL  MGX         4.00    (#   1989:20        Unique  3.74, 5.69 A)
 &rst
  ixpk= 1989, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   46 GLY  HA-          65 VAL  MGX         4.00    (#   1990:20        Unique  3.70, 6.96 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 745, 746,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   28 ARG  HN           22 ALA  MB          3.00    (#   1992:20        Unique  3.32, 4.30 A)
 &rst
  ixpk= 1992, nxpk= 20, iat= 436,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   31 GLY  HN           22 ALA  MB          4.00    (#   1993:20        Unique  3.05, 3.58 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 351, 352, 353,
 &end
#
#   22 ALA  HN           22 ALA  MB          3.00    (#   1994:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 1994, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#   23 GLU  HN           22 ALA  MB          3.00    (#   1995:20        Unique  3.74, 4.19 A)
 &rst
  ixpk= 1995, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 351, 352, 353,
 &end
#
#    0 AMB  20-2:1996    20 VAL  MGX         5.00    (#   1996:20        Single  0.00, 0.00  )
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 347, 252,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   21 ASP  HN           20 VAL  MGX         3.00    (#   1997:20        Unique  1.82, 3.82 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   20 VAL  HN           20 VAL  MGX         3.00    (#   1998:20        Unique  2.61, 4.20 A)
 &rst
  ixpk= 1998, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    4 VAL  HN            2 ALA  MB          4.00    (#   1999:20        Unique  2.68, 4.24 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:2000     2 ALA  MB          4.00    (#   2000:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  31,  21,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:2001     4 VAL  MGX         5.00    (#   2001:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  58,1871,1914,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#    4 VAL  HN            4 VAL  MGX         3.00    (#   2002:20        Unique  1.94, 3.75 A)
 &rst
  ixpk= 2002, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#  118 TYR  HE            4 VAL  MGX         4.00    (#   2003:20        Unique  3.81, 7.32 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1860,1865,
 igr2=  48,  49,  50,  52,  53,  54,
 &end
#
#   82 VAL  HA           82 VAL  MGX         4.00    (#   2005:20        Unique  2.16, 3.41 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2006    30 MET  ME          5.00    (#   2006:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1226, 539,
 igr2= 481, 482, 483,
 &end
#
#   33 TYR  HN           30 MET  ME          6.00    (#   2007:20        Unique  4.88, 5.96 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 481, 482, 483,
 &end
#
#   30 MET  HN           30 MET  ME          4.00    (#   2009:20        Unique  2.31, 3.27 A)
 &rst
  ixpk= 2009, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2010    30 MET  ME          5.00    (#   2010:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1196, 547, 556,
 igr2= 481, 482, 483,
 &end
#
#   75 LEU  HN           30 MET  ME          5.00    (#   2011:20        Unique  1.96, 5.06 A)
 &rst
  ixpk= 2011, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2012    30 MET  ME          5.00    (#   2012:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 549, 554, 528, 533,
 igr2= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2013    82 VAL  MGX         3.00    (#   2013:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1329,1059,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2014    82 VAL  MGX         5.00    (#   2014:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1314,1495,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HD           82 VAL  MGX         7.00    (#   2015:20        Unique  1.97, 6.26 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1482,1491,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HN           82 VAL  MGX         6.00    (#   2017:20        Unique  2.29, 4.73 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2018    82 VAL  MGX         4.00    (#   2018:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1347,1497,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2019    82 VAL  MGX         6.50    (#   2019:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1=1316,1476,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   19 ILE  HN           19 ILE  QG2         4.00    (#   2022:20        Unique  2.69, 3.95 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 306, 307, 308,
 &end
#
#    0 AMB  20-2:2023    19 ILE  QG2         5.00    (#   2023:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 347, 372,
 igr2= 306, 307, 308,
 &end
#
#   32 TRP  HN           19 ILE  QG2         4.00    (#   2024:20        Unique  1.93, 3.21 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 306, 307, 308,
 &end
#
#   18 ILE  HN           19 ILE  QG2         6.50    (#   2025:20        Unique  4.89, 6.23 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 306, 307, 308,
 &end
#
#   20 VAL  HN           19 ILE  QG2         5.00    (#   2026:20        Unique  4.53, 5.02 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 319,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 306, 307, 308,
 &end
#
#   32 TRP  HE1          19 ILE  QG2         5.00    (#   2027:20        Unique  2.64, 4.14 A)
 &rst
  ixpk= 2027, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 306, 307, 308,
 &end
#
#  121 ALA  HN          121 ALA  MB          3.00    (#   2030:20        Unique  2.26, 2.89 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=1914,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  123 GLY  HN          121 ALA  MB          5.00    (#   2031:20        Unique  4.59, 5.17 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=1948,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1918,1919,1920,
 &end
#
#   14 ILE  HN           14 ILE  QG2         4.00    (#   2033:20        Unique  3.14, 4.10 A)
 &rst
  ixpk= 2033, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   15 GLU  HN           14 ILE  QG2         3.00    (#   2034:20        Unique  2.16, 3.46 A)
 &rst
  ixpk= 2034, nxpk= 20, iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 224, 225, 226,
 &end
#
#   19 ILE  HN           14 ILE  QG2         4.00    (#   2035:20        Unique  3.91, 5.91 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   18 ILE  HN           14 ILE  QG2         7.00    (#   2038:20        Unique  4.01, 5.44 A)
 &rst
  ixpk= 2038, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 224, 225, 226,
 &end
#
#   32 TRP  HE1          14 ILE  QG2         5.00    (#   2039:20        Unique  2.17, 4.33 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 224, 225, 226,
 &end
#
#   29 ALA  HN           29 ALA  MB          3.00    (#   2040:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 2040, nxpk= 20, iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#   32 TRP  HN           29 ALA  MB          5.00    (#   2041:20        Unique  5.63, 6.05 A)
 &rst
  ixpk= 2041, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2043    29 ALA  MB          4.00    (#   2043:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 436, 406,
 igr2= 464, 465, 466,
 &end
#
#    0 AMB  20-2:2044   105 VAL  MGX         5.00    (#   2044:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1627,1646,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  106 ASP  HN          105 VAL  MGX         4.00    (#   2045:20        Unique  2.61, 4.12 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1674,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HN          105 VAL  MGX         4.00    (#   2046:20        Unique  2.60, 4.40 A)
 &rst
  ixpk= 2046, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  105 VAL  HN          105 VAL  MGX         3.00    (#   2047:20        Unique  2.34, 3.31 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  112 ALA  HN          112 ALA  MB          3.00    (#   2048:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 2048, nxpk= 20, iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1760,1761,1762,
 &end
#
#   80 VAL  HN           80 VAL  MGX         3.00    (#   2052:20        Unique  2.42, 3.61 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HA           80 VAL  MGX         4.00    (#   2053:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   81 GLU  HN           80 VAL  MGX         5.00    (#   2054:20        Unique  2.89, 4.55 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#  114 ALA  HN          114 ALA  MB          3.00    (#   2057:20        Unique  2.07, 2.88 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1789,1790,1791,
 &end
#
#  113 ILE  HN          114 ALA  MB          5.00    (#   2058:20        Unique  4.69, 5.65 A)
 &rst
  ixpk= 2058, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1789,1790,1791,
 &end
#
#   64 GLU  HN           85 ILE  QG2         5.20    (#   2059:20        Unique  2.47, 3.82 A)
 &rst
  ixpk= 2059, nxpk= 20, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1373,1374,1375,
 &end
#
#   63 VAL  HA           85 ILE  QG2         5.00    (#   2060:20        Unique  2.89, 3.98 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1373,1374,1375,
 &end
#
#   81 GLU  HN           69 ALA  MB          5.00    (#   2061:20        Unique  3.59, 5.35 A)
 &rst
  ixpk= 2061, nxpk= 20, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#   69 ALA  HN           69 ALA  MB          3.00    (#   2062:20        Unique  2.08, 2.92 A)
 &rst
  ixpk= 2062, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1137,1138,1139,
 &end
#
#   79 TYR  HN           69 ALA  MB          5.00    (#   2063:20        Unique  3.24, 5.76 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#   80 VAL  HA           69 ALA  MB          4.00    (#   2065:20        Unique  3.07, 4.81 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:2066    58 ILE  QG2         5.50    (#   2066:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 977, 862,
 igr2= 964, 965, 966,
 &end
#
#   50 LYS  HN           58 ILE  QG2         4.00    (#   2067:20        Unique  2.73, 4.17 A)
 &rst
  ixpk= 2067, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 964, 965, 966,
 &end
#
#    0 AMB  20-2:2069    63 VAL  MGX         4.00    (#   2069:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 772,1074,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HN           63 VAL  MGX         3.00    (#   2070:20        Unique  2.19, 3.56 A)
 &rst
  ixpk= 2070, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2071    63 VAL  MGX         3.00    (#   2071:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1345,1059,1355,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGX         3.00    (#   2072:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   93 TYR  HD           63 VAL  MGX         7.00    (#   2073:20        Unique  2.74, 6.63 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1482,1491,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  HA           63 VAL  MGX         5.00    (#   2074:20        Unique  4.15, 5.97 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   80 VAL  HN           69 ALA  MB          5.00    (#   2075:20        Unique  3.71, 5.70 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=1298,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1137,1138,1139,
 &end
#
#   61 LYS  HN           58 ILE  QG2         6.00    (#   2076:20        Unique  5.42, 6.47 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 964, 965, 966,
 &end
#
#  117 LEU  HN          113 ILE  QG2         5.00    (#   2077:20        Unique  4.00, 5.01 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1772,1773,1774,
 &end
#
#  114 ALA  HN          113 ILE  QG2         4.00    (#   2078:20        Unique  2.66, 3.81 A)
 &rst
  ixpk= 2078, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1772,1773,1774,
 &end
#
#    0 AMB  20-2:2079   113 ILE  QG2         4.00    (#   2079:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1583,1766,
 igr2=1772,1773,1774,
 &end
#
#  104 ASP  HN          103 ILE  QG2         3.00    (#   2080:20        Unique  1.92, 3.49 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:2082   103 ILE  QG2         5.50    (#   2082:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 745, 746, 752,
 igr2=1633,1634,1635,
 &end
#
#    0 AMB  20-2:2083   103 ILE  QG2         5.20    (#   2083:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 750,1617,
 igr2=1633,1634,1635,
 &end
#
#  101 GLU  HN          100 ILE  QG2         3.00    (#   2084:20        Unique  2.41, 3.52 A)
 &rst
  ixpk= 2084, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HN          100 ILE  QG2         4.00    (#   2085:20        Unique  2.62, 3.79 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1589,1590,1591,
 &end
#
#   44 PHE  HE          100 ILE  QG2         4.00    (#   2087:20        Unique  3.08, 4.97 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 716, 720,
 igr2=1589,1590,1591,
 &end
#
#  100 ILE  HA          100 ILE  QG2         3.00    (#   2088:20        Unique  3.35, 3.78 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1589,1590,1591,
 &end
#
#    0 AMB  20-2:2094    68 MET  ME          5.00    (#   2094:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 581,1260, 539,
 igr2=1127,1128,1129,
 &end
#
#   37 ASP  HN           68 MET  ME          5.00    (#   2095:20        Unique  3.08, 5.15 A)
 &rst
  ixpk= 2095, nxpk= 20, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1127,1128,1129,
 &end
#
#   69 ALA  HN           68 MET  ME          4.00    (#   2096:20        Unique  2.98, 4.54 A)
 &rst
  ixpk= 2096, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   79 TYR  HN           68 MET  ME          4.00    (#   2097:20        Unique  1.80, 3.14 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   78 MET  HA           68 MET  ME          4.00    (#   2099:20        Unique  2.34, 3.79 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   14 ILE  HN           14 ILE  QD1         4.00    (#   2101:20        Unique  3.66, 5.08 A)
 &rst
  ixpk= 2101, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 231, 232, 233,
 &end
#
#   32 TRP  HD1          14 ILE  QD1         7.00    (#   2104:20        Unique  6.17, 7.62 A)
 &rst
  ixpk= 2104, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 231, 232, 233,
 &end
#
#  102 ALA  HN          113 ILE  QD1         5.00    (#   2108:20        Unique  3.48, 4.73 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1779,1780,1781,
 &end
#
#  113 ILE  HN          113 ILE  QD1         4.00    (#   2109:20        Unique  2.49, 3.51 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=1766,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1779,1780,1781,
 &end
#
#   32 TRP  HN           18 ILE  QG2         5.50    (#   2112:20        Unique  3.07, 3.92 A)
 &rst
  ixpk= 2112, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 287, 288, 289,
 &end
#
#   18 ILE  HN           18 ILE  QG2         6.00    (#   2113:20        Unique  4.15, 4.53 A)
 &rst
  ixpk= 2113, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 287, 288, 289,
 &end
#
#   19 ILE  HN           18 ILE  QG2         6.00    (#   2114:20        Unique  2.49, 3.81 A)
 &rst
  ixpk= 2114, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 287, 288, 289,
 &end
#
#   46 GLY  HN          103 ILE  QD1         4.00    (#   2115:20        Unique  3.53, 5.38 A)
 &rst
  ixpk= 2115, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#  103 ILE  HN          103 ILE  QD1         4.00    (#   2116:20        Unique  2.23, 3.59 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1640,1641,1642,
 &end
#
#   45 MET  HA          103 ILE  QD1         6.00    (#   2117:20        Unique  4.69, 6.89 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  20-2:2118   103 ILE  QD1         4.00    (#   2118:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 745, 746, 752,
 igr2=1640,1641,1642,
 &end
#
#   47 LYS  HN          103 ILE  QD1         3.50    (#   2119:20        Unique  1.99, 2.70 A)
 &rst
  ixpk= 2119, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1640,1641,1642,
 &end
#
#   19 ILE  HN           18 ILE  QD1         6.00    (#   2120:20        Unique  4.32, 5.46 A)
 &rst
  ixpk= 2120, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  HN           18 ILE  QD1         6.00    (#   2122:20        Unique  4.16, 4.81 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   19 ILE  HN           19 ILE  QD1         3.70    (#   2123:20        Unique  1.89, 3.12 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 313, 314, 315,
 &end
#
#   32 TRP  HE1          19 ILE  QD1         3.50    (#   2126:20        Unique  1.93, 2.99 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 313, 314, 315,
 &end
#
#   59 GLU  HN           58 ILE  QD1         4.00    (#   2128:20        Unique  3.31, 4.76 A)
 &rst
  ixpk= 2128, nxpk= 20, iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 971, 972, 973,
 &end
#
#  100 ILE  HN          100 ILE  QD1         5.00    (#   2129:20        Unique  4.14, 5.64 A)
 &rst
  ixpk= 2129, nxpk= 20, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HA          100 ILE  QD1         4.00    (#   2130:20        Unique  1.89, 3.83 A)
 &rst
  ixpk= 2130, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1596,1597,1598,
 &end
#
#  101 GLU  HN          100 ILE  QD1         5.00    (#   2131:20        Unique  2.18, 4.23 A)
 &rst
  ixpk= 2131, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HA          100 ILE  QD1         3.00    (#   2132:20        Unique  2.34, 3.97 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=1585,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1596,1597,1598,
 &end
#
#  112 ALA  MB           39 THR  HB          4.00    (#   2133:20        Unique  3.06, 3.83 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1760,1761,1762,
 &end
#
#   83 ALA  MB           92 VAL  HA          4.00    (#   2134:20        Unique  3.10, 3.97 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1349,1350,1351,
 &end
#
#   92 VAL  HB           92 VAL  HA          3.00    (#   2135:20        Unique  2.23, 2.39 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=1462,1460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2136    92 VAL  HA          3.00    (#   2136:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   93 TYR  HB-          92 VAL  HA          7.00    (#   2137:20        Unique  4.87, 5.26 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1478,1479,
 &end
#
#   83 ALA  HA           92 VAL  HA          2.80    (#   2138:20        Unique  1.87, 1.99 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=1347,1460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   92 VAL  HN           92 VAL  HA          3.50    (#   2139:20        Unique  2.93, 2.94 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HN           92 VAL  HA          4.80    (#   2140:20        Unique  2.16, 2.18 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=1474,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#    0 AMB  20-2:2141    92 VAL  HA          5.00    (#   2141:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1329,1059,
 &end
#
#   90 ASP  HB+          90 ASP  HA          3.00    (#   2143:20        Unique  2.47, 2.77 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1438,1439,
 &end
#
#   91 ASP  HN           90 ASP  HA          3.80    (#   2145:20        Unique  3.31, 3.38 A)
 &rst
  ixpk= 2145, nxpk= 20, iat=1446,1436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   90 ASP  HN           90 ASP  HA          3.00    (#   2146:20        Unique  2.83, 2.88 A)
 &rst
  ixpk= 2146, nxpk= 20, iat=1434,1436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 TYR  HN           83 ALA  HA          5.00    (#   2147:20        Unique  2.88, 3.25 A)
 &rst
  ixpk= 2147, nxpk= 20, iat=1474,1347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2148    83 ALA  HA          2.80    (#   2148:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1355,1345,
 &end
#
#   70 PRO  HB+          70 PRO  HD+         4.50    (#   2149:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1151,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:2150   100 ILE  QD1         5.00    (#   2150:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 796,1007,
 igr2=1596,1597,1598,
 &end
#
#  100 ILE  HB          100 ILE  QD1         4.00    (#   2152:20        Unique  2.06, 3.20 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=1587,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1596,1597,1598,
 &end
#
#   35 TYR  HN           18 ILE  QG2         7.00    (#   2153:20        Unique  4.30, 5.28 A)
 &rst
  ixpk= 2153, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 287, 288, 289,
 &end
#
#   32 TRP  HZ2          18 ILE  QG2         7.00    (#   2154:20        Unique  4.09, 5.40 A)
 &rst
  ixpk= 2154, nxpk= 20, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 287, 288, 289,
 &end
#
#   79 TYR  HN           78 MET  HA          2.80    (#   2155:20        Unique  2.14, 2.18 A)
 &rst
  ixpk= 2155, nxpk= 20, iat=1277,1262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:2156    78 MET  HA          4.00    (#   2156:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2156, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1200,1201,1281,1282,
 &end
#
#   78 MET  ME           78 MET  HA          3.50    (#   2157:20        Unique  1.89, 2.93 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1271,1272,1273,
 &end
#
#   78 MET  HB-          78 MET  HA          3.50    (#   2158:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1264,1265,
 &end
#
#    8 GLU  HN            7 ASP  HA          3.50    (#   2159:20        Unique  2.44, 2.81 A)
 &rst
  ixpk= 2159, nxpk= 20, iat= 109,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2161     7 ASP  HA          3.00    (#   2161:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 101, 102, 101, 102, 116, 117,
 &end
#
#   61 LYS  HN           60 GLU  HA          2.80    (#   2163:20        Unique  2.14, 2.17 A)
 &rst
  ixpk= 2163, nxpk= 20, iat=1007, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 LYS  HN           60 GLU  HA          3.80    (#   2164:20        Unique  2.82, 3.12 A)
 &rst
  ixpk= 2164, nxpk= 20, iat= 818, 994, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   60 GLU  HN           60 GLU  HA          3.50    (#   2165:20        Unique  2.84, 2.86 A)
 &rst
  ixpk= 2165, nxpk= 20, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 GLU  HB+          60 GLU  HA          3.00    (#   2166:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 996, 997,
 &end
#
#    0 AMB  20-2:2167     0 AMB  20-1:2167   5.00    (#   2167:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2002,2003,1478,1479,
 igr2=1228,1476,
 &end
#
#   93 TYR  HB-          93 TYR  HA          5.00    (#   2168:20        Unique  2.23, 2.63 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1478,1479,
 &end
#
#   76 LYS  HB+          76 LYS  HA          3.00    (#   2169:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 2169, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1230,1231,
 &end
#
#   76 LYS  HB-          76 LYS  HA          3.00    (#   2170:20        Unique  2.27, 2.61 A)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1230,1231,
 &end
#
#   76 LYS  HG+          76 LYS  HA          3.00    (#   2171:20        Unique  2.59, 3.32 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1233,1234,
 &end
#
#   93 TYR  HD           93 TYR  HA          5.50    (#   2172:20        Unique  2.30, 3.72 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1491,
 &end
#
#   93 TYR  HN           93 TYR  HA          4.50    (#   2174:20        Unique  2.94, 2.95 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=1474,1476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 LYS  HN           76 LYS  HA          3.50    (#   2175:20        Unique  2.80, 2.88 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=1226,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   94 THR  HN           93 TYR  HA          4.50    (#   2176:20        Unique  2.21, 2.45 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=1495,1476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 ASP  HB-          84 ASP  HA          3.00    (#   2177:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   85 ILE  HN           84 ASP  HA          2.80    (#   2178:20        Unique  2.18, 2.20 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=1367,1357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HN           84 ASP  HA          4.00    (#   2179:20        Unique  4.17, 4.43 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=1059,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2180    57 THR  HB          5.00    (#   2180:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 946, 923,
 &end
#
#   81 GLU  HN           80 VAL  HA          2.80    (#   2181:20        Unique  2.19, 2.27 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=1314,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 ALA  HN           80 VAL  HA          3.00    (#   2182:20        Unique  1.89, 2.72 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=1133,1300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 VAL  MGY          80 VAL  HA          3.00    (#   2183:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  HB           80 VAL  HA          3.00    (#   2184:20        Unique  2.26, 2.35 A)
 &rst
  ixpk= 2184, nxpk= 20, iat=1302,1300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 PHE  HN           43 PRO  HA          5.00    (#   2186:20        Unique  4.51, 4.64 A)
 &rst
  ixpk= 2186, nxpk= 20, iat= 672, 702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 THR  HN           94 THR  HA          3.50    (#   2187:20        Unique  2.93, 2.95 A)
 &rst
  ixpk= 2187, nxpk= 20, iat=1495,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 VAL  HN           94 THR  HA          3.80    (#   2188:20        Unique  2.97, 3.20 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=1329,1497, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   95 ALA  HN           94 THR  HA          4.00    (#   2189:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 2189, nxpk= 20, iat=1509,1497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HA           94 THR  HA          3.00    (#   2191:20        Unique  2.15, 2.52 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=1316,1497, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  HG1-         19 ILE  QD1         3.00    (#   2192:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 310, 311,
 igr2= 313, 314, 315,
 &end
#
#   43 PRO  HB-          43 PRO  HD+         4.00    (#   2193:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 699, 700,
 igr2= 693, 694,
 &end
#
#   43 PRO  HA           43 PRO  HD-         4.50    (#   2194:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 2194, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 693, 694,
 &end
#
#   25 LYS  HN           24 ASP  HA          3.00    (#   2195:20        Unique  2.30, 2.36 A)
 &rst
  ixpk= 2195, nxpk= 20, iat= 384, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HN           24 ASP  HA          3.00    (#   2196:20        Unique  2.89, 2.89 A)
 &rst
  ixpk= 2196, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HB+          24 ASP  HA          3.00    (#   2197:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#   24 ASP  HB-          24 ASP  HA          3.00    (#   2198:20        Unique  2.36, 2.83 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#    0 AMB  20-2:2199    24 ASP  HA          5.00    (#   2199:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 361, 362, 425, 426,
 &end
#
#    0 AMB  20-2:2200    24 ASP  HA          5.00    (#   2200:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 361, 362, 388, 389,
 &end
#
#  115 ASP  HN          112 ALA  HA          4.00    (#   2204:20        Unique  3.54, 3.89 A)
 &rst
  ixpk= 2204, nxpk= 20, iat=1795,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          112 ALA  HA          3.00    (#   2205:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  20-2:2206     0 AMB  20-1:2206   5.00    (#   2206:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,1373,
      1374,1375,
 igr2=1758,1424,
 &end
#
#    0 AMB  20-2:2207     0 AMB  20-1:2207   6.00    (#   2207:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1776,1777,1464,1465,1466,1468,1469,1470,1464,1465,
      1466,1468,1469,1470,
 igr2=1758,1424,
 &end
#
#  124 TYR  HB+         124 TYR  HA          3.00    (#   2208:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#    0 AMB  20-2:2209     2 ALA  MB          4.00    (#   2209:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  33,   6,
 igr2=  25,  26,  27,
 &end
#
#    3 SER  HA            3 SER  HB-         3.00    (#   2210:20        Unique  2.32, 2.62 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  35,  36,
 &end
#
#    0 AMB  20-2:2211     0 AMB  20-1:2211   7.00    (#   2211:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 981, 982, 844, 845,
 igr2= 866, 867, 866, 867,
 &end
#
#    4 VAL  HB            4 VAL  HA          3.00    (#   2212:20        Unique  2.44, 2.87 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  46,  44, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LYS  HB+          25 LYS  HA          3.00    (#   2213:20        Unique  2.36, 2.45 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 388, 389,
 &end
#
#    0 AMB  20-2:2215    20 VAL  MGX         5.00    (#   2215:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 268, 337,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   93 TYR  HN           92 VAL  MGX         6.00    (#   2220:20        Unique  2.31, 4.33 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  MGX         5.00    (#   2221:20        Unique  2.94, 5.40 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#    0 AMB  20-2:2222    20 VAL  MGY         5.00    (#   2222:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 268, 337,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    0 AMB  20-2:2223    20 VAL  MGY         5.00    (#   2223:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 347, 252,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   84 ASP  HA           63 VAL  MGY         4.50    (#   2224:20        Unique  1.75, 4.20 A)
 &rst
  ixpk= 2224, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2226   105 VAL  MGX         5.00    (#   2226:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1629,1688,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2228    80 VAL  MGX         5.00    (#   2228:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1094,1095,1593,1594,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HB           80 VAL  MGX         5.00    (#   2229:20        Unique  3.07, 6.04 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   79 TYR  HA           80 VAL  MGX         4.00    (#   2230:20        Unique  3.08, 4.69 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   95 ALA  HN           80 VAL  MGX         6.00    (#   2231:20        Unique  2.71, 4.84 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   66 LEU  HN           82 VAL  MGX         6.00    (#   2232:20        Unique  2.77, 5.50 A)
 &rst
  ixpk= 2232, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:2233   105 VAL  MGY         4.00    (#   2233:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1627,1646,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:2234    22 ALA  MB          3.00    (#   2234:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 425, 426, 425, 426,
 igr2= 351, 352, 353,
 &end
#
#  102 ALA  HA          102 ALA  MB          3.00    (#   2235:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1621,1622,1623,
 &end
#
#   32 TRP  HB+          29 ALA  HA          3.00    (#   2236:20        Unique  2.57, 3.43 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   92 VAL  HA           83 ALA  HA          2.80    (#   2237:20        Unique  1.87, 1.99 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=1460,1347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   95 ALA  HN           95 ALA  MB          5.50    (#   2238:20        Unique  3.14, 3.69 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1513,1514,1515,
 &end
#
#  112 ALA  HA          112 ALA  MB          3.00    (#   2240:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=1758,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1760,1761,1762,
 &end
#
#  114 ALA  HN          114 ALA  HA          3.50    (#   2241:20        Unique  2.74, 2.77 A)
 &rst
  ixpk= 2241, nxpk= 20, iat=1785,1787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ILE  HN           85 ILE  QG2         4.00    (#   2242:20        Unique  2.69, 3.41 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:2243    85 ILE  QG2         4.00    (#   2243:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1388,1389,1092,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:2244    85 ILE  QD1         4.00    (#   2244:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 737, 738, 739, 730, 731,
 igr2=1380,1381,1382,
 &end
#
#   36 LEU  HN           36 LEU  HA          3.50    (#   2245:20        Unique  2.79, 2.82 A)
 &rst
  ixpk= 2245, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 LEU  MDX          75 LEU  HB-         4.00    (#   2246:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#  117 LEU  HA          120 LEU  HB+         4.00    (#   2247:20        Unique  2.22, 3.68 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=1833,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1899,1900,
 &end
#
#    0 AMB  20-2:2248    40 LEU  HG          4.70    (#   2248:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 657,1766,
 &end
#
#   33 TYR  HN           78 MET  ME          4.00    (#   2249:20        Unique  1.86, 3.27 A)
 &rst
  ixpk= 2249, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1271,1272,1273,
 &end
#
#   27 GLU  HA           30 MET  HB+         4.00    (#   2250:20        Unique  2.20, 3.27 A)
 &rst
  ixpk= 2250, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 474, 475,
 &end
#
#   27 GLU  HA           30 MET  HB-         4.70    (#   2251:20        Unique  2.20, 3.27 A)
 &rst
  ixpk= 2251, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 474, 475,
 &end
#
#   10 ARG  HN            9 THR  HA          4.00    (#   2253:20        Unique  3.24, 3.30 A)
 &rst
  ixpk= 2253, nxpk= 20, iat= 138, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HB-          14 ILE  HA          6.00    (#   2254:20        Unique  5.57, 5.85 A)
 &rst
  ixpk= 2254, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 241, 242,
 &end
#
#    0 AMB  20-2:2255    14 ILE  HA          4.50    (#   2255:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2255, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 222, 273, 274,
 &end
#
#   14 ILE  HN           14 ILE  HA          3.50    (#   2256:20        Unique  2.69, 2.70 A)
 &rst
  ixpk= 2256, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ILE  HN           14 ILE  HG1-        4.50    (#   2257:20        Unique  2.61, 3.78 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 228, 229,
 &end
#
#    0 AMB  20-2:2258    27 GLU  HA          4.00    (#   2258:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1, 423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 436, 406,
 &end
#
#   18 ILE  HN           18 ILE  HA          5.00    (#   2259:20        Unique  2.92, 2.93 A)
 &rst
  ixpk= 2259, nxpk= 20, iat= 281, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HN           18 ILE  HA          5.00    (#   2260:20        Unique  3.42, 3.53 A)
 &rst
  ixpk= 2260, nxpk= 20, iat= 300, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HN           18 ILE  HA          6.00    (#   2261:20        Unique  4.44, 4.50 A)
 &rst
  ixpk= 2261, nxpk= 20, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 ILE  HG1-         18 ILE  HA          5.50    (#   2262:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
#   18 ILE  QD1          18 ILE  HA          6.00    (#   2263:20        Unique  2.32, 4.42 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  HA           18 ILE  HG1+        5.50    (#   2264:20        Unique  2.37, 2.75 A)
 &rst
  ixpk= 2264, nxpk= 20, iat= 283,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
#   18 ILE  QG2          19 ILE  HA          6.00    (#   2266:20        Unique  3.22, 4.42 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   21 ASP  HN           21 ASP  HB-         3.50    (#   2267:20        Unique  2.35, 2.76 A)
 &rst
  ixpk= 2267, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 339, 340,
 &end
#
#   25 LYS  HN           25 LYS  HB+         3.80    (#   2268:20        Unique  2.46, 3.09 A)
 &rst
  ixpk= 2268, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 388, 389,
 &end
#
#   96 LYS  HG+          96 LYS  HE+         3.80    (#   2269:20        Unique  2.14, 3.37 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1526,1527,
 igr2=1532,1533,
 &end
#
#    0 AMB  20-2:2270     0 AMB  20-1:2270   3.00    (#   2270:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1529,1530,1523,1524,
 igr2=1532,1533,1532,1533,
 &end
#
#   27 GLU  HN           26 GLU  HA          4.00    (#   2271:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 2271, nxpk= 20, iat= 421, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 LEU  HN           39 THR  HB          3.00    (#   2274:20        Unique  2.05, 2.51 A)
 &rst
  ixpk= 2274, nxpk= 20, iat= 638, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 THR  HN           39 THR  HB          3.00    (#   2275:20        Unique  2.30, 2.38 A)
 &rst
  ixpk= 2275, nxpk= 20, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 PHE  HA           43 PRO  HA          2.80    (#   2276:20        Unique  1.96, 2.05 A)
 &rst
  ixpk= 2276, nxpk= 20, iat= 674, 702, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:2279    47 LYS  HB-         5.00    (#   2279:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 809, 810, 763, 764,
 igr2= 754, 755,
 &end
#
#    0 AMB  20-2:2280    52 SER  HA          5.00    (#   2280:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2280, nxpk= 20, iat=  -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 862, 977,
 &end
#
#   63 VAL  HN           62 THR  HA          2.80    (#   2281:20        Unique  2.14, 2.15 A)
 &rst
  ixpk= 2281, nxpk= 20, iat=1043,1031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 TRP  HN           62 THR  HA          4.00    (#   2282:20        Unique  3.43, 3.56 A)
 &rst
  ixpk= 2282, nxpk= 20, iat= 772,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 LYS  HA           62 THR  HA          3.00    (#   2283:20        Unique  2.68, 2.82 A)
 &rst
  ixpk= 2283, nxpk= 20, iat= 752,1031, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 THR  MG2          62 THR  HA          3.00    (#   2284:20        Unique  2.34, 2.97 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1035,1036,1037,
 &end
#
#   73 GLU  HN           73 GLU  HG+         4.00    (#   2285:20        Unique  2.68, 4.13 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1188,1189,
 &end
#
#   94 THR  HN           81 GLU  HA          5.00    (#   2286:20        Unique  4.40, 4.81 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=1495,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 VAL  HN           81 GLU  HA          2.80    (#   2287:20        Unique  2.14, 2.16 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=1329,1316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   89 ASP  HN           84 ASP  HB-         4.00    (#   2288:20        Unique  2.17, 3.33 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1359,1360,
 &end
#
#    0 AMB  20-2:2289     0 AMB  20-1:2289   3.00    (#   2289:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1674,1698,
 igr2=1678,1679,1678,1679,
 &end
#
#    0 AMB  20-2:2290   106 ASP  HB-         3.50    (#   2290:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1674,1698,
 igr2=1678,1679,
 &end
#
#   89 ASP  HB-          89 ASP  HA          3.50    (#   2291:20        Unique  2.34, 2.76 A)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1426,1427,
 &end
#
#   21 ASP  HB-          21 ASP  HA          3.00    (#   2292:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 339, 340,
 &end
#
#   21 ASP  HB+          21 ASP  HA          3.00    (#   2293:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 339, 340,
 &end
#
#   92 VAL  HN           91 ASP  HB-         4.00    (#   2294:20        Unique  2.82, 3.61 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1450,1451,
 &end
#
#    0 AMB  20-2:2295    94 THR  HB          6.00    (#   2295:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1316,1476,
 &end
#
#   95 ALA  HN           94 THR  HB          6.00    (#   2296:20        Unique  3.92, 4.03 A)
 &rst
  ixpk= 2296, nxpk= 20, iat=1509,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 ALA  HN           94 THR  MG2         6.00    (#   2297:20        Unique  3.06, 4.00 A)
 &rst
  ixpk= 2297, nxpk= 20, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1501,1502,1503,
 &end
#
#  101 GLU  HN          101 GLU  HG+         4.80    (#   2300:20        Unique  4.19, 4.62 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1609,1610,
 &end
#
#  120 LEU  HN          119 TRP  HB+         4.50    (#   2301:20        Unique  3.05, 3.85 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1875,1876,
 &end
#
#  120 LEU  HN          119 TRP  HB-         4.50    (#   2302:20        Unique  3.05, 3.85 A)
 &rst
  ixpk= 2302, nxpk= 20, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1875,1876,
 &end
#
#   66 LEU  MDX          43 PRO  HA          6.00    (#   2303:20        Unique  4.39, 6.69 A)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#  102 ALA  HA           46 GLY  HA-         4.00    (#   2304:20        Unique  2.17, 2.94 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 745, 746,
 &end
#
#  107 ASP  HB-         107 ASP  HA          3.00    (#   2305:20        Unique  2.41, 2.78 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  107 ASP  HB-         106 ASP  HA          5.00    (#   2306:20        Unique  4.55, 5.49 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,1676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1690,1691,
 &end
#
#   62 THR  HB           62 THR  MG2         3.00    (#   2307:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 2307, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1035,1036,1037,
 &end
#
#   30 MET  HA           78 MET  ME          6.00    (#   2309:20        Unique  4.71, 5.81 A)
 &rst
  ixpk= 2309, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:2310   109 THR  HA          5.50    (#   2310:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2310, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1662, 661, 662,1728,1729,
 &end
#
#   40 LEU  HG          109 THR  HA          4.00    (#   2311:20        Unique  2.77, 3.34 A)
 &rst
  ixpk= 2311, nxpk= 20, iat= 645,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 ASP  HA           38 ASP  HB-         3.00    (#   2312:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2312, nxpk= 20, iat= 614,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 616, 617,
 &end
#
#   42 PHE  HD           40 LEU  HB+         5.00    (#   2313:20        Unique  2.73, 5.05 A)
 &rst
  ixpk= 2313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 680, 688,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:2314    40 LEU  HB-         4.00    (#   2314:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 672, 657,
 igr2= 642, 643,
 &end
#
#   42 PHE  HD           40 LEU  HB-         5.00    (#   2315:20        Unique  2.73, 5.05 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 680, 688,
 igr2= 642, 643,
 &end
#
#  118 TYR  HA          118 TYR  HB+         3.00    (#   2316:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1854,1855,
 &end
#
#  118 TYR  HA          118 TYR  HB-         3.50    (#   2319:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1854,1855,
 &end
#
#  108 ASP  HA          108 ASP  HB+         3.50    (#   2320:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 2320, nxpk= 20, iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   17 GLU  HB-          18 ILE  QD1         6.50    (#   2321:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 270, 271,
 igr2= 294, 295, 296,
 &end
#
#  114 ALA  HN          113 ILE  QD1         5.50    (#   2323:20        Unique  4.00, 4.95 A)
 &rst
  ixpk= 2323, nxpk= 20, iat=1785,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1779,1780,1781,
 &end
#
#   85 ILE  HA           85 ILE  QD1         4.00    (#   2325:20        Unique  4.61, 5.08 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1380,1381,1382,
 &end
#
#   15 GLU  HA           19 ILE  QD1         3.50    (#   2326:20        Unique  1.84, 2.77 A)
 &rst
  ixpk= 2326, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 313, 314, 315,
 &end
#
#    0 AMB  20-2:2327    19 ILE  QD1         5.00    (#   2327:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 285, 224, 225, 226,
 igr2= 313, 314, 315,
 &end
#
#  125 LYS  HA          125 LYS  HB+         3.00    (#   2330:20        Unique  2.37, 2.69 A)
 &rst
  ixpk= 2330, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1980,1981,
 &end
#
#  125 LYS  HA          125 LYS  HB-         3.00    (#   2331:20        Unique  2.37, 2.69 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1980,1981,
 &end
#
#  125 LYS  HA          125 LYS  HG+         4.00    (#   2332:20        Unique  2.57, 3.31 A)
 &rst
  ixpk= 2332, nxpk= 20, iat=1978,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1983,1984,
 &end
#
#  125 LYS  HB+         125 LYS  HG+         3.00    (#   2333:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1980,1981,
 igr2=1983,1984,
 &end
#
#    0 AMB  20-2:2334     0 AMB  20-1:2334   3.00    (#   2334:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1980,1981,1986,1987,
 igr2=1983,1984,1983,1984,
 &end
#
#  124 TYR  HA          124 TYR  HB+         3.00    (#   2335:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1959,1960,
 &end
#
#  124 TYR  HA          124 TYR  HB-         3.00    (#   2336:20        Unique  2.27, 2.50 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1959,1960,
 &end
#
#  122 ARG  HN          121 ALA  MB          3.00    (#   2337:20        Unique  2.35, 3.41 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1918,1919,1920,
 &end
#
#  109 THR  HA          112 ALA  MB          4.00    (#   2338:20        Unique  2.69, 3.81 A)
 &rst
  ixpk= 2338, nxpk= 20, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1760,1761,1762,
 &end
#
#   75 LEU  HG           75 LEU  HB+         3.00    (#   2339:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1211,1212,
 &end
#
#   98 SER  HB+         120 LEU  MDY         4.00    (#   2340:20        Unique  2.92, 5.40 A)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1564,1565,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  120 LEU  HB-         120 LEU  MDY         3.00    (#   2341:20        Unique  1.92, 3.27 A)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1899,1900,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   92 VAL  HA           83 ALA  MB          4.00    (#   2342:20        Unique  3.10, 3.97 A)
 &rst
  ixpk= 2342, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1349,1350,1351,
 &end
#
#  117 LEU  HN          116 TRP  HB+         4.00    (#   2343:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 2343, nxpk= 20, iat=1831,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1811,1812,
 &end
#
#   78 MET  HG-         116 TRP  HB-         5.50    (#   2345:20        Unique  2.86, 4.79 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1267,1268,
 igr2=1811,1812,
 &end
#
#  113 ILE  HA          113 ILE  HG1-        3.50    (#   2346:20        Unique  2.16, 2.73 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=1768,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1776,1777,
 &end
#
#  111 GLU  HA          111 GLU  HG+         3.00    (#   2347:20        Unique  2.51, 3.16 A)
 &rst
  ixpk= 2347, nxpk= 20, iat=1743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1748,1749,
 &end
#
#    4 VAL  HA            5 GLU  HG+         6.00    (#   2348:20        Unique  4.59, 5.75 A)
 &rst
  ixpk= 2348, nxpk= 20, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  65,  66,
 &end
#
#  113 ILE  HB          110 GLN  HA          3.00    (#   2349:20        Unique  2.85, 2.97 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=1770,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HB+         108 ASP  HA          3.00    (#   2350:20        Unique  2.84, 3.66 A)
 &rst
  ixpk= 2350, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#  108 ASP  HB-         108 ASP  HA          3.00    (#   2351:20        Unique  2.32, 2.81 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#  109 THR  HN          108 ASP  HB+         3.50    (#   2352:20        Unique  2.52, 2.89 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1702,1703,
 &end
#
#   47 LYS  HG+         103 ILE  QD1         4.50    (#   2353:20        Unique  2.18, 4.28 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 757, 758,
 igr2=1640,1641,1642,
 &end
#
#  104 ASP  HA          103 ILE  QG2         4.00    (#   2354:20        Unique  3.80, 4.79 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1633,1634,1635,
 &end
#
#   47 LYS  HN          101 GLU  HB+         3.50    (#   2355:20        Unique  1.82, 3.03 A)
 &rst
  ixpk= 2355, nxpk= 20, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1606,1607,
 &end
#
#    0 AMB  20-2:2357     0 AMB  20-1:2357   4.00    (#   2357:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 357, 750,
 igr2= 364, 365,1609,1610,
 &end
#
#    0 AMB  20-2:2358     0 AMB  20-1:2358   4.00    (#   2358:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1564,1565,1564,1565,
 &end
#
#    0 AMB  20-2:2359     0 AMB  20-1:2359   4.00    (#   2359:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 igr2=1564,1565,1564,1565,
 &end
#
#   97 LEU  HN           97 LEU  HA          4.00    (#   2360:20        Unique  2.68, 2.71 A)
 &rst
  ixpk= 2360, nxpk= 20, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 LEU  HN           97 LEU  HB+         3.50    (#   2361:20        Unique  2.20, 2.98 A)
 &rst
  ixpk= 2361, nxpk= 20, iat=1541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   97 LEU  HA           97 LEU  HB+         3.50    (#   2362:20        Unique  2.44, 2.78 A)
 &rst
  ixpk= 2362, nxpk= 20, iat=1543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1545,1546,
 &end
#
#   75 LEU  MDX          75 LEU  HB+         3.80    (#   2363:20        Unique  2.25, 3.28 A)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2=1211,1212,
 &end
#
#    0 AMB  20-2:2365    97 LEU  HA          7.00    (#   2365:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1596,1597,1598,1513,1514,1515,
 &end
#
#   96 LYS  HG-          96 LYS  HA          3.60    (#   2366:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 2366, nxpk= 20, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1526,1527,
 &end
#
#   47 LYS  HB+          47 LYS  HE+         3.00    (#   2371:20        Unique  2.79, 4.20 A)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 754, 755,
 igr2= 763, 764,
 &end
#
#  103 ILE  QD1          47 LYS  HE+         3.00    (#   2372:20        Unique  2.38, 3.93 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1640,1641,1642,
 igr2= 763, 764,
 &end
#
#    0 AMB  20-2:2375     0 AMB  20-1:2375   4.00    (#   2375:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 733, 734, 169, 170,
 igr2=1035,1036,1037, 130, 131, 132,
 &end
#
#    0 AMB  20-2:2376    62 THR  MG2         6.00    (#   2376:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 733, 734, 776, 777,
 igr2=1035,1036,1037,
 &end
#
#   94 THR  HA           94 THR  HB          3.50    (#   2378:20        Unique  2.92, 2.96 A)
 &rst
  ixpk= 2378, nxpk= 20, iat=1497,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2379    76 LYS  HA          6.00    (#   2379:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2379, nxpk= 20, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1196,1290,
 &end
#
#   29 ALA  HA           30 MET  ME          5.00    (#   2380:20        Unique  3.99, 5.02 A)
 &rst
  ixpk= 2380, nxpk= 20, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 481, 482, 483,
 &end
#
#   65 VAL  HA           82 VAL  MGX         4.50    (#   2381:20        Unique  1.52, 3.98 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   51 LYS  HN           50 LYS  HB-         4.50    (#   2384:20        Unique  3.14, 3.78 A)
 &rst
  ixpk= 2384, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 822, 823,
 &end
#
#   72 ASP  HN           70 PRO  HB+         3.80    (#   2385:20        Unique  2.20, 3.11 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1150,1151,
 &end
#
#   33 TYR  HN           32 TRP  HB+         3.50    (#   2389:20        Unique  2.24, 2.77 A)
 &rst
  ixpk= 2389, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   33 TYR  HN           32 TRP  HB-         3.50    (#   2390:20        Unique  2.24, 2.77 A)
 &rst
  ixpk= 2390, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   63 VAL  HB           63 VAL  MGX         4.00    (#   2391:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 2391, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#  114 ALA  HN          111 GLU  HA          4.50    (#   2392:20        Unique  3.85, 3.91 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=1785,1743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HB-          11 GLU  HA          5.00    (#   2394:20        Unique  4.20, 4.51 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#   14 ILE  HN           11 GLU  HA          5.50    (#   2396:20        Unique  4.74, 5.00 A)
 &rst
  ixpk= 2396, nxpk= 20, iat= 218, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 CYS  HN           71 ASP  HA          4.00    (#   2397:20        Unique  2.82, 3.52 A)
 &rst
  ixpk= 2397, nxpk= 20, iat=1196,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 GLU  HA           11 GLU  HB-         4.50    (#   2398:20        Unique  2.63, 3.84 A)
 &rst
  ixpk= 2398, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 166, 167,
 &end
#
#   14 ILE  HA           18 ILE  QD1         5.00    (#   2399:20        Unique  2.63, 3.83 A)
 &rst
  ixpk= 2399, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:2400    29 ALA  HA          5.00    (#   2400:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 496, 408, 489, 490,2002,2003, 423,
 &end
#
#   63 VAL  MGX          62 THR  HA          4.00    (#   2401:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   62 THR  HN           62 THR  HA          4.00    (#   2402:20        Unique  2.80, 2.82 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=1029,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 THR  MG2          54 LYS  HB-         6.50    (#   2404:20        Unique  3.31, 5.13 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 925, 926, 927,
 igr2= 901, 902,
 &end
#
#    3 SER  HN            3 SER  HA          3.50    (#   2405:20        Unique  2.79, 2.84 A)
 &rst
  ixpk= 2405, nxpk= 20, iat=  31,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 SER  HN            3 SER  HB-         4.00    (#   2406:20        Unique  2.75, 3.56 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  35,  36,
 &end
#
#    6 ARG  HN            6 ARG  HD+         4.00    (#   2411:20        Unique  1.84, 3.39 A)
 &rst
  ixpk= 2411, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  83,  84,
 &end
#
#    8 GLU  HN            8 GLU  HA          3.00    (#   2412:20        Unique  2.28, 2.41 A)
 &rst
  ixpk= 2412, nxpk= 20, iat= 109, 111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  QD1          15 GLU  HA          3.00    (#   2414:20        Unique  1.84, 2.77 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 313, 314, 315,
 &end
#
#    0 AMB  20-2:2415    11 GLU  HA          4.00    (#   2415:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 224, 225, 226, 142, 143,
 &end
#
#    9 THR  HN            8 GLU  HB+         4.50    (#   2416:20        Unique  3.41, 3.97 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 113, 114,
 &end
#
#    9 THR  HN            8 GLU  HB-         5.00    (#   2417:20        Unique  3.41, 3.97 A)
 &rst
  ixpk= 2417, nxpk= 20, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 113, 114,
 &end
#
#    0 AMB  20-2:2419     9 THR  HA          5.00    (#   2419:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=  83,  84, 181, 182,
 &end
#
#    9 THR  HA            9 THR  MG2         3.00    (#   2420:20        Unique  3.52, 3.85 A)
 &rst
  ixpk= 2420, nxpk= 20, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 130, 131, 132,
 &end
#
#    0 AMB  20-2:2422     0 AMB  20-1:2422   6.00    (#   2422:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 266, 124,
 igr2= 196, 140,
 &end
#
#   15 GLU  HN           14 ILE  HA          4.50    (#   2423:20        Unique  3.48, 3.49 A)
 &rst
  ixpk= 2423, nxpk= 20, iat= 237, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HN           14 ILE  HA          5.00    (#   2424:20        Unique  4.61, 5.20 A)
 &rst
  ixpk= 2424, nxpk= 20, iat= 300, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  HN           14 ILE  HA          5.00    (#   2425:20        Unique  2.90, 3.39 A)
 &rst
  ixpk= 2425, nxpk= 20, iat= 281, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 ILE  QD1          14 ILE  HA          4.00    (#   2426:20        Unique  3.89, 4.40 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#   18 ILE  QD1          14 ILE  HG1-        5.50    (#   2427:20        Unique  1.95, 3.08 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 294, 295, 296,
 igr2= 228, 229,
 &end
#
#   14 ILE  HA           14 ILE  QD1         4.00    (#   2431:20        Unique  3.89, 4.40 A)
 &rst
  ixpk= 2431, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 231, 232, 233,
 &end
#
#   10 ARG  HB-          14 ILE  QD1         5.00    (#   2432:20        Unique  2.74, 5.15 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 142, 143,
 igr2= 231, 232, 233,
 &end
#
#   15 GLU  HA           14 ILE  QG2         4.00    (#   2433:20        Unique  3.10, 3.88 A)
 &rst
  ixpk= 2433, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#   14 ILE  HA           14 ILE  QG2         4.00    (#   2434:20        Unique  2.75, 3.65 A)
 &rst
  ixpk= 2434, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:2435     0 AMB  20-1:2435   5.00    (#   2435:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 252, 372,
 igr2= 239, 423,
 &end
#
#   57 THR  HN           57 THR  HB          5.00    (#   2438:20        Unique  2.29, 2.65 A)
 &rst
  ixpk= 2438, nxpk= 20, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HN           16 THR  HB          6.00    (#   2439:20        Unique  4.51, 4.54 A)
 &rst
  ixpk= 2439, nxpk= 20, iat= 266, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 THR  MG2          16 THR  HB          3.00    (#   2440:20        Unique  2.36, 2.64 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#    0 AMB  20-2:2441    16 THR  HB          5.50    (#   2441:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2441, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   40 LEU  HN           39 THR  HA          4.00    (#   2444:20        Unique  3.48, 3.55 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 638, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2445    18 ILE  HB          7.00    (#   2445:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1, 285, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 222, 304,
 &end
#
#   18 ILE  HN           18 ILE  HG1+        5.00    (#   2446:20        Unique  2.27, 3.33 A)
 &rst
  ixpk= 2446, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 291, 292,
 &end
#
#   36 LEU  HN           18 ILE  QG2         7.00    (#   2448:20        Unique  4.90, 5.73 A)
 &rst
  ixpk= 2448, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 287, 288, 289,
 &end
#
#    0 AMB  20-2:2449    18 ILE  QD1         7.00    (#   2449:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 218, 581,
 igr2= 294, 295, 296,
 &end
#
#    0 AMB  20-2:2450    18 ILE  QD1         7.00    (#   2450:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 564, 565,1799,1800,
 igr2= 294, 295, 296,
 &end
#
#   14 ILE  HB           18 ILE  QD1         6.00    (#   2451:20        Unique  4.06, 5.22 A)
 &rst
  ixpk= 2451, nxpk= 20, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 294, 295, 296,
 &end
#
#   14 ILE  QD1          18 ILE  QD1         6.00    (#   2452:20        Unique  2.14, 4.14 A)
 &rst
  ixpk= 2452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 231, 232, 233,
 igr2= 294, 295, 296,
 &end
#
#   19 ILE  QD1          19 ILE  HA          4.00    (#   2453:20        Unique  3.78, 4.60 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 313, 314, 315,
 &end
#
#    0 AMB  20-2:2454    19 ILE  HA          4.00    (#   2454:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   32 TRP  HD1          19 ILE  QG2         3.50    (#   2455:20        Unique  1.85, 2.81 A)
 &rst
  ixpk= 2455, nxpk= 20, iat= 502,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 306, 307, 308,
 &end
#
#   19 ILE  HA           19 ILE  QG2         3.00    (#   2456:20        Unique  2.03, 2.87 A)
 &rst
  ixpk= 2456, nxpk= 20, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   78 MET  ME           29 ALA  MB          3.00    (#   2459:20        Unique  1.96, 4.11 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1271,1272,1273,
 igr2= 464, 465, 466,
 &end
#
#   30 MET  HN           29 ALA  MB          3.00    (#   2460:20        Unique  2.75, 3.57 A)
 &rst
  ixpk= 2460, nxpk= 20, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 464, 465, 466,
 &end
#
#   28 ARG  HA           19 ILE  QD1         5.50    (#   2461:20        Unique  3.64, 4.97 A)
 &rst
  ixpk= 2461, nxpk= 20, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 313, 314, 315,
 &end
#
#   18 ILE  QG2          19 ILE  QD1         6.00    (#   2462:20        Unique  2.08, 5.04 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 287, 288, 289,
 igr2= 313, 314, 315,
 &end
#
#   19 ILE  HN           20 VAL  MGY         6.00    (#   2464:20        Unique  3.64, 5.80 A)
 &rst
  ixpk= 2464, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   92 VAL  HA           92 VAL  MGY         3.00    (#   2465:20        Unique  2.13, 3.52 A)
 &rst
  ixpk= 2465, nxpk= 20, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   31 GLY  HA-          22 ALA  MB          5.00    (#   2468:20        Unique  3.00, 4.46 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 489, 490,
 igr2= 351, 352, 353,
 &end
#
#  126 PHE  HB-          25 LYS  HG+         7.00    (#   2473:20        Unique  6.13, 7.31 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2002,2003,
 igr2= 391, 392,
 &end
#
#   26 GLU  HA           25 LYS  HG-         5.30    (#   2474:20        Unique  3.57, 4.62 A)
 &rst
  ixpk= 2474, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 391, 392,
 &end
#
#   29 ALA  HN           28 ARG  HA          4.00    (#   2475:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 2475, nxpk= 20, iat= 460, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLY  HN           28 ARG  HA          4.50    (#   2476:20        Unique  3.61, 3.79 A)
 &rst
  ixpk= 2476, nxpk= 20, iat= 487, 438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 MET  ME           29 ALA  HA          6.50    (#   2477:20        Unique  3.99, 5.02 A)
 &rst
  ixpk= 2477, nxpk= 20, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  20-2:2478    32 TRP  HA          5.00    (#   2478:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 590, 591, 592, 594, 595, 596,1267,1268,
 &end
#
#   18 ILE  QD1          32 TRP  HA          6.50    (#   2479:20        Unique  3.50, 4.86 A)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 294, 295, 296,
 &end
#
#   36 LEU  HB-          33 TYR  HA          3.80    (#   2480:20        Unique  1.89, 2.46 A)
 &rst
  ixpk= 2480, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 585, 586,
 &end
#
#    0 AMB  20-2:2481    35 TYR  HA          6.00    (#   2481:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#   18 ILE  QG2          35 TYR  HA          7.00    (#   2482:20        Unique  5.24, 6.84 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   18 ILE  QG2          35 TYR  HB+         6.00    (#   2483:20        Unique  2.49, 4.65 A)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 287, 288, 289,
 igr2= 564, 565,
 &end
#
#    0 AMB  20-2:2484   117 LEU  HA          4.00    (#   2484:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,1833, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   40 LEU  HN           36 LEU  HA          4.50    (#   2485:20        Unique  3.49, 3.92 A)
 &rst
  ixpk= 2485, nxpk= 20, iat= 638, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  MDX          36 LEU  HB-         4.00    (#   2486:20        Unique  1.94, 3.22 A)
 &rst
  ixpk= 2486, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 590, 591, 592, 594, 595, 596,
 igr2= 585, 586,
 &end
#
#    0 AMB  20-2:2487    36 LEU  HG          3.50    (#   2487:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2487, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 585, 586,1760,1761,1762,
 &end
#
#   36 LEU  HA           36 LEU  HG          3.00    (#   2488:20        Unique  2.33, 2.68 A)
 &rst
  ixpk= 2488, nxpk= 20, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2489    37 ASP  HA          4.00    (#   2489:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 612, 624,
 &end
#
#   40 LEU  MDX          37 ASP  HA          5.00    (#   2490:20        Unique  2.49, 4.69 A)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#   39 THR  HB           39 THR  HA          3.50    (#   2492:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 2492, nxpk= 20, iat= 628, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HB-          39 THR  HA          5.00    (#   2493:20        Unique  4.09, 4.96 A)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 616, 617,
 &end
#
#  112 ALA  MB           39 THR  HA          6.00    (#   2494:20        Unique  5.36, 6.24 A)
 &rst
  ixpk= 2494, nxpk= 20, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1760,1761,1762,
 &end
#
#   39 THR  HA           39 THR  HB          3.50    (#   2496:20        Unique  3.00, 3.01 A)
 &rst
  ixpk= 2496, nxpk= 20, iat= 626, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 THR  HA           39 THR  MG2         3.00    (#   2497:20        Unique  2.44, 3.23 A)
 &rst
  ixpk= 2497, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 630, 631, 632,
 &end
#
#   41 GLU  HG+          40 LEU  HA          5.50    (#   2500:20        Unique  3.62, 5.04 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 664, 665,
 &end
#
#    0 AMB  20-2:2501    40 LEU  HA          5.00    (#   2501:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 661, 662,1662,
 &end
#
#    0 AMB  20-2:2502    40 LEU  MDX         5.00    (#   2502:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1766, 657,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   39 THR  HB           40 LEU  MDY         5.50    (#   2503:20        Unique  2.84, 4.99 A)
 &rst
  ixpk= 2503, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   39 THR  HB           40 LEU  MDX         5.50    (#   2504:20        Unique  2.84, 4.99 A)
 &rst
  ixpk= 2504, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#  108 ASP  HB-          40 LEU  MDX         7.00    (#   2505:20        Unique  4.55, 8.16 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1702,1703,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   76 LYS  HE+          75 LEU  MDY         6.00    (#   2507:20        Unique  4.77, 8.06 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1239,1240,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   43 PRO  HA           42 PHE  HB+         4.00    (#   2511:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 2511, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 676, 677,
 &end
#
#   42 PHE  HA           42 PHE  HB+         3.00    (#   2512:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 2512, nxpk= 20, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 676, 677,
 &end
#
#   42 PHE  HA           42 PHE  HB-         3.00    (#   2513:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 2513, nxpk= 20, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 676, 677,
 &end
#
#   16 THR  HB           16 THR  HA          3.00    (#   2514:20        Unique  2.33, 2.35 A)
 &rst
  ixpk= 2514, nxpk= 20, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:2516    44 PHE  HA          6.00    (#   2516:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 733, 734,1650,1651, 676, 677,
 &end
#
#   33 TYR  HD           68 MET  ME          4.00    (#   2517:20        Unique  1.81, 4.08 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 526, 535,
 igr2=1127,1128,1129,
 &end
#
#   45 MET  ME           46 GLY  HA+         4.50    (#   2520:20        Unique  2.34, 3.92 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739,
 igr2= 745, 746,
 &end
#
#   48 TRP  HB-          47 LYS  HA          5.00    (#   2521:20        Unique  4.38, 4.65 A)
 &rst
  ixpk= 2521, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#  117 LEU  MDY          99 ASP  HA          5.00    (#   2523:20        Unique  1.96, 4.12 A)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#   50 LYS  HG+          99 ASP  HA          9.00    (#   2524:20        Unique  8.49, 9.44 A)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,1573, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 825, 826,
 &end
#
#   48 TRP  HE1          50 LYS  HE+         5.00    (#   2525:20        Unique  2.73, 4.02 A)
 &rst
  ixpk= 2525, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 831, 832,
 &end
#
#  100 ILE  HG1-         48 TRP  HA          3.50    (#   2526:20        Unique  1.84, 2.79 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1593,1594,
 &end
#
#   49 LYS  HB-          48 TRP  HA          6.00    (#   2527:20        Unique  4.82, 5.31 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 800, 801,
 &end
#
#   99 ASP  HB+          48 TRP  HA          6.00    (#   2528:20        Unique  4.09, 5.24 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1575,1576,
 &end
#
#   48 TRP  HE1          48 TRP  HA          5.00    (#   2529:20        Unique  4.74, 4.79 A)
 &rst
  ixpk= 2529, nxpk= 20, iat= 782, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 LYS  HN           48 TRP  HB-         4.00    (#   2530:20        Unique  2.30, 3.41 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   60 GLU  HA           49 LYS  HA          3.00    (#   2531:20        Unique  2.44, 2.69 A)
 &rst
  ixpk= 2531, nxpk= 20, iat= 994, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 LYS  HN           49 LYS  HB+         4.00    (#   2532:20        Unique  2.73, 3.17 A)
 &rst
  ixpk= 2532, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 800, 801,
 &end
#
#   49 LYS  HE+          49 LYS  HB-         4.50    (#   2534:20        Unique  2.01, 3.77 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 809, 810,
 igr2= 800, 801,
 &end
#
#   49 LYS  HA           49 LYS  HG-         4.00    (#   2535:20        Unique  3.02, 3.61 A)
 &rst
  ixpk= 2535, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:2536     0 AMB  20-1:2536   5.50    (#   2536:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 798, 921,
 igr2= 803, 804, 904, 905,
 &end
#
#   50 LYS  HA           50 LYS  HD-         5.00    (#   2537:20        Unique  3.70, 4.35 A)
 &rst
  ixpk= 2537, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 828, 829,
 &end
#
#   61 LYS  HE-          50 LYS  HD+         5.00    (#   2538:20        Unique  2.56, 4.65 A)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1020,1021,
 igr2= 828, 829,
 &end
#
#   61 LYS  HE-          50 LYS  HD-         5.00    (#   2539:20        Unique  2.56, 4.65 A)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1020,1021,
 igr2= 828, 829,
 &end
#
#    4 VAL  HN            3 SER  HB-         5.00    (#   2540:20        Unique  4.29, 4.49 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  35,  36,
 &end
#
#   57 THR  HN           56 SER  HA          4.80    (#   2542:20        Unique  2.82, 3.16 A)
 &rst
  ixpk= 2542, nxpk= 20, iat= 944, 935, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#    0 AMB  20-2:2543    56 SER  HA          4.00    (#   2543:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 844, 845, 850, 851,
 &end
#
#    0 AMB  20-2:2544    58 ILE  HB          5.50    (#   2544:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1, 962, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 842,
 &end
#
#   59 GLU  HG-          59 GLU  HA          3.00    (#   2546:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 984, 985,
 &end
#
#   59 GLU  HG+          59 GLU  HA          3.00    (#   2547:20        Unique  2.24, 2.99 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 984, 985,
 &end
#
#    0 AMB  20-2:2548    59 GLU  HA          4.00    (#   2548:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 964, 965, 966, 822, 823,
 &end
#
#   49 LYS  HA           60 GLU  HA          3.00    (#   2549:20        Unique  2.44, 2.69 A)
 &rst
  ixpk= 2549, nxpk= 20, iat= 798, 994, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 THR  HB           62 THR  HA          3.50    (#   2551:20        Unique  2.96, 3.00 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HA           62 THR  MG2         6.00    (#   2552:20        Unique  5.10, 6.19 A)
 &rst
  ixpk= 2552, nxpk= 20, iat= 728,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1035,1036,1037,
 &end
#
#    0 AMB  20-2:2554    63 VAL  MGX         6.00    (#   2554:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1007,1090, 796,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   62 THR  HA           63 VAL  MGX         4.00    (#   2555:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 2555, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HA           63 VAL  MGX         4.00    (#   2556:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2560     0 AMB  20-1:2560   4.00    (#   2560:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 803, 804,1349,1350,1351, 757, 758,
 igr2=1606,1607,1063,1064,
 &end
#
#   65 VAL  HA           65 VAL  HB          3.50    (#   2562:20        Unique  2.27, 2.94 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2563    65 VAL  MGX         6.00    (#   2563:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1111,1112, 745, 746,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   80 VAL  HA           65 VAL  MGY         6.00    (#   2565:20        Unique  4.10, 5.89 A)
 &rst
  ixpk= 2565, nxpk= 20, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   63 VAL  MGY          65 VAL  MGY         6.00    (#   2566:20        Unique  2.89, 8.02 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1080,1081,1082,1084,1085,1086,
 &end
#
#   43 PRO  HA           66 LEU  HA          4.00    (#   2569:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 2569, nxpk= 20, iat= 702,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 LEU  HN           66 LEU  HB-         3.50    (#   2570:20        Unique  2.22, 2.96 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1094,1095,
 &end
#
#   81 GLU  HB+          66 LEU  HB-         4.00    (#   2571:20        Unique  2.11, 3.49 A)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1318,1319,
 igr2=1094,1095,
 &end
#
#   81 GLU  HB+          66 LEU  HB+         3.00    (#   2572:20        Unique  2.11, 3.49 A)
 &rst
  ixpk= 2572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1318,1319,
 igr2=1094,1095,
 &end
#
#   66 LEU  HB+          66 LEU  MDX         3.00    (#   2573:20        Unique  2.06, 3.37 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1094,1095,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   64 GLU  HB-          66 LEU  MDX         4.00    (#   2574:20        Unique  3.35, 5.97 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1063,1064,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   68 MET  ME           69 ALA  MB          5.00    (#   2575:20        Unique  4.86, 6.69 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1127,1128,1129,
 igr2=1137,1138,1139,
 &end
#
#   70 PRO  HD+          70 PRO  HA          4.50    (#   2576:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
#   71 ASP  HA           70 PRO  HA          5.00    (#   2577:20        Unique  4.30, 4.31 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 GLU  HN           71 ASP  HA          4.00    (#   2578:20        Unique  3.30, 3.41 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=1181,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 CYS  HB+          71 ASP  HA          5.00    (#   2579:20        Unique  2.52, 4.71 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1200,1201,
 &end
#
#   73 GLU  HN           72 ASP  HA          3.50    (#   2580:20        Unique  2.82, 3.03 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=1181,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 LEU  MDX          72 ASP  HA          3.00    (#   2581:20        Unique  2.81, 4.44 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  20-2:2584    51 LYS  HA          3.00    (#   2584:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 844, 845, 850, 851,
 &end
#
#   75 LEU  HB-          74 CYS  HA          6.50    (#   2585:20        Unique  4.68, 5.41 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1211,1212,
 &end
#
#    0 AMB  20-2:2586    74 CYS  HA          6.00    (#   2586:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 481, 482, 483,1120,1121,
 &end
#
#    0 AMB  20-2:2589   126 PHE  HB-         5.00    (#   2589:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1980,1981,1211,1212,
 igr2=2002,2003,
 &end
#
#   44 PHE  HA           45 MET  HB-         5.50    (#   2590:20        Unique  4.14, 4.83 A)
 &rst
  ixpk= 2590, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 730, 731,
 &end
#
#  121 ALA  MB          121 ALA  HA          3.00    (#   2592:20        Unique  2.31, 2.63 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,1916, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#    0 AMB  20-2:2594   126 PHE  HB-         6.00    (#   2594:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1980,1981,1986,1987,
 igr2=2002,2003,
 &end
#
#    0 AMB  20-2:2595   126 PHE  HB-         5.00    (#   2595:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1=1959,1960, 464, 465, 466,
 igr2=2002,2003,
 &end
#
#   41 GLU  HN          109 THR  MG2         3.00    (#   2597:20        Unique  1.98, 3.56 A)
 &rst
  ixpk= 2597, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HN          109 THR  MG2         4.00    (#   2599:20        Unique  4.32, 4.51 A)
 &rst
  ixpk= 2599, nxpk= 20, iat=1710,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HB          109 THR  MG2         3.00    (#   2600:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#  109 THR  HA          109 THR  MG2         3.00    (#   2601:20        Unique  2.47, 3.20 A)
 &rst
  ixpk= 2601, nxpk= 20, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#   40 LEU  HG          109 THR  MG2         4.10    (#   2602:20        Unique  1.97, 3.14 A)
 &rst
  ixpk= 2602, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1716,1717,1718,
 &end
#
#  112 ALA  MB          109 THR  MG2         4.00    (#   2603:20        Unique  4.16, 6.13 A)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1760,1761,1762,
 igr2=1716,1717,1718,
 &end
#
#   33 TYR  HA           33 TYR  HB+         3.00    (#   2604:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 2604, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   63 VAL  MGY          83 ALA  HA          6.00    (#   2606:20        Unique  3.20, 5.91 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:2607    85 ILE  HB          5.00    (#   2607:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1386,1345,
 &end
#
#    0 AMB  20-2:2610    18 ILE  QD1         5.50    (#   2610:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 224, 225, 226, 285,
 igr2= 294, 295, 296,
 &end
#
#   36 LEU  HN           32 TRP  HA          4.50    (#   2611:20        Unique  3.73, 4.05 A)
 &rst
  ixpk= 2611, nxpk= 20, iat= 581, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TYR  HB-          31 GLY  HA+         5.00    (#   2613:20        Unique  2.58, 4.22 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 543, 544,
 igr2= 489, 490,
 &end
#
#   19 ILE  HB           19 ILE  QG2         3.00    (#   2615:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 2615, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 306, 307, 308,
 &end
#
#   18 ILE  HB           18 ILE  HG1+        5.50    (#   2617:20        Unique  2.31, 2.71 A)
 &rst
  ixpk= 2617, nxpk= 20, iat= 285,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 291, 292,
 &end
#
#   62 THR  HA          103 ILE  QD1         6.00    (#   2618:20        Unique  4.08, 5.51 A)
 &rst
  ixpk= 2618, nxpk= 20, iat=1031,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1640,1641,1642,
 &end
#
#   62 THR  HB           85 ILE  QD1         4.00    (#   2619:20        Unique  3.19, 4.26 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HG+          45 MET  HA          4.00    (#   2621:20        Unique  3.26, 3.77 A)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#    0 AMB  20-2:2622    50 LYS  HA          3.00    (#   2622:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 825, 826, 825, 826,
 &end
#
#   51 LYS  HA           58 ILE  HG1-        4.80    (#   2623:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 2623, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 968, 969,
 &end
#
#   51 LYS  HA           58 ILE  HG1+        4.00    (#   2624:20        Unique  2.27, 4.15 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 968, 969,
 &end
#
#   18 ILE  QD1          18 ILE  HG1+        5.50    (#   2626:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 294, 295, 296,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:2627     0 AMB  20-1:2627   3.00    (#   2627:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,
 igr2= 585, 586,1835,1836,
 &end
#
#   36 LEU  HB-          36 LEU  HG          3.50    (#   2629:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   33 TYR  HA           36 LEU  MDX         5.00    (#   2630:20        Unique  2.27, 4.23 A)
 &rst
  ixpk= 2630, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   68 MET  HA           80 VAL  MGY         4.00    (#   2632:20        Unique  2.04, 4.20 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   10 ARG  HE           10 ARG  HD+         3.50    (#   2636:20        Unique  2.28, 2.75 A)
 &rst
  ixpk= 2636, nxpk= 20, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 148, 149,
 &end
#
#  102 ALA  MB          113 ILE  QD1         3.00    (#   2637:20        Unique  1.99, 3.47 A)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1621,1622,1623,
 igr2=1779,1780,1781,
 &end
#
#    0 AMB  20-2:2638    30 MET  HA          3.50    (#   2638:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 470, 487,
 &end
#
#   33 TYR  HN           30 MET  HA          5.00    (#   2639:20        Unique  3.93, 4.18 A)
 &rst
  ixpk= 2639, nxpk= 20, iat= 518, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 LEU  MDY          30 MET  HB+         7.50    (#   2640:20        Unique  6.42, 8.63 A)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
 igr1=1216,1217,1218,1220,1221,1222,
 igr2= 474, 475,
 &end
#
#   37 ASP  HA           37 ASP  HB-         3.00    (#   2641:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 2641, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 604, 605,
 &end
#
#  113 ILE  QD1         113 ILE  HA          4.00    (#   2642:20        Unique  3.76, 4.49 A)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1779,1780,1781,
 &end
#
#   43 PRO  HD-          43 PRO  HB+         4.50    (#   2643:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 693, 694,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HB+         3.00    (#   2644:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 2644, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HB-         3.00    (#   2645:20        Unique  2.30, 2.51 A)
 &rst
  ixpk= 2645, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 699, 700,
 &end
#
#   43 PRO  HA           43 PRO  HD+         4.50    (#   2647:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 2647, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 693, 694,
 &end
#
#  105 VAL  MGY          44 PHE  HB-         3.00    (#   2648:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2= 710, 711,
 &end
#
#    0 AMB  20-2:2649    45 MET  HB-         6.00    (#   2649:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1035,1036,1037,1377,1378,
 igr2= 730, 731,
 &end
#
#   46 GLY  HA+          45 MET  HG+         5.50    (#   2651:20        Unique  3.03, 4.70 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 745, 746,
 igr2= 733, 734,
 &end
#
#   62 THR  HA           47 LYS  HA          3.00    (#   2652:20        Unique  2.68, 2.82 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=1031, 752, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 LYS  HG+          47 LYS  HB+         3.00    (#   2653:20        Unique  2.30, 2.56 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#  101 GLU  HN           48 TRP  HA          4.00    (#   2654:20        Unique  3.28, 3.44 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=1602, 774, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2660     0 AMB  20-1:2660   3.00    (#   2660:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 825, 826, 825, 826,
 igr2= 828, 829, 828, 829,
 &end
#
#   50 LYS  HG+          50 LYS  HD-         3.00    (#   2661:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 825, 826,
 igr2= 828, 829,
 &end
#
#    0 AMB  20-2:2662     0 AMB  20-1:2662   4.00    (#   2662:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 798, 979,
 igr2= 999,1000, 999,1000,
 &end
#
#   49 LYS  HA           60 GLU  HG-         4.70    (#   2663:20        Unique  3.14, 3.68 A)
 &rst
  ixpk= 2663, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 999,1000,
 &end
#
#   82 VAL  MGX          63 VAL  HB          4.00    (#   2668:20        Unique  1.81, 3.13 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   81 GLU  HA           94 THR  MG2         4.00    (#   2669:20        Unique  2.44, 3.69 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1501,1502,1503,
 &end
#
#    0 AMB  20-2:2670    33 TYR  HA          3.00    (#   2670:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 518, 600,
 &end
#
#   34 TYR  HN           33 TYR  HA          4.00    (#   2671:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 2671, nxpk= 20, iat= 539, 520, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 PHE  HD           67 GLY  HA-         4.50    (#   2673:20        Unique  1.96, 3.65 A)
 &rst
  ixpk= 2673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 680, 688,
 igr2=1111,1112,
 &end
#
#   81 GLU  HA           69 ALA  HA          6.00    (#   2674:20        Unique  5.13, 5.42 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=1316,1135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 TYR  HA           69 ALA  MB          6.00    (#   2677:20        Unique  4.18, 6.50 A)
 &rst
  ixpk= 2677, nxpk= 20, iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  20-2:2679    75 LEU  MDX         5.50    (#   2679:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1188,1189,1230,1231,1147,1148,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   24 ASP  HB-          75 LEU  MDY         8.00    (#   2680:20        Unique  7.34, 9.77 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 376, 377,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  HN           76 LYS  HB-         6.00    (#   2681:20        Unique  4.05, 5.13 A)
 &rst
  ixpk= 2681, nxpk= 20, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1230,1231,
 &end
#
#   77 ASP  HN           78 MET  ME          5.00    (#   2682:20        Unique  4.11, 5.26 A)
 &rst
  ixpk= 2682, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1271,1272,1273,
 &end
#
#   80 VAL  MGX          80 VAL  HA          4.00    (#   2683:20        Unique  2.03, 3.55 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HN           81 GLU  HB-         5.00    (#   2684:20        Unique  3.60, 4.13 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1319,
 &end
#
#    0 AMB  20-2:2685     0 AMB  20-1:2685   4.00    (#   2685:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 igr2=1321,1322,1321,1322,
 &end
#
#    0 AMB  20-2:2688    84 ASP  HB-         4.50    (#   2688:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1407,1408,1014,1015,1349,1350,1351,
 igr2=1359,1360,
 &end
#
#   85 ILE  HB           85 ILE  HG1+        3.50    (#   2689:20        Unique  2.47, 2.76 A)
 &rst
  ixpk= 2689, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1377,1378,
 &end
#
#   83 ALA  MB           92 VAL  MGX         4.00    (#   2690:20        Unique  1.92, 5.30 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1349,1350,1351,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  100 ILE  HG1-        100 ILE  QG2         4.00    (#   2694:20        Unique  2.37, 3.41 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1593,1594,
 igr2=1589,1590,1591,
 &end
#
#  105 VAL  MGX         105 VAL  HB          3.00    (#   2699:20        Unique  2.27, 2.63 A)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  HN          109 THR  HA          4.00    (#   2700:20        Unique  2.77, 2.79 A)
 &rst
  ixpk= 2700, nxpk= 20, iat=1710,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 GLU  HN          109 THR  HA          4.00    (#   2701:20        Unique  3.39, 3.85 A)
 &rst
  ixpk= 2701, nxpk= 20, iat= 657,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 GLU  HB-          23 GLU  HA          3.00    (#   2703:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 361, 362,
 &end
#
#   68 MET  HA           68 MET  ME          4.00    (#   2704:20        Unique  3.41, 4.52 A)
 &rst
  ixpk= 2704, nxpk= 20, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1127,1128,1129,
 &end
#
#   81 GLU  HB+          92 VAL  MGY         3.00    (#   2707:20        Unique  2.40, 5.63 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1318,1319,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#  116 TRP  HZ2         120 LEU  MDY         5.00    (#   2708:20        Unique  1.99, 3.78 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=1820,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#  122 ARG  HN          122 ARG  HB+         3.00    (#   2709:20        Unique  2.07, 2.64 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1928,1929,
 &end
#
#  116 TRP  HZ2         120 LEU  MDX         4.50    (#   2710:20        Unique  1.99, 3.78 A)
 &rst
  ixpk= 2710, nxpk= 20, iat=1820,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#    0 AMB  20-2:2715     0 AMB  20-1:2715   6.00    (#   2715:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 960, 875, 254,
 igr2= 981, 982, 981, 982, 270, 271,
 &end
#
#    0 AMB  20-2:2716    59 GLU  HB-         5.00    (#   2716:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 960, 875,
 igr2= 981, 982,
 &end
#
#    4 VAL  HB            3 SER  HA          6.20    (#   2721:20        Unique  5.11, 5.37 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  46,  33, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#    3 SER  HN            3 SER  HB+         4.00    (#   2722:20        Unique  2.75, 3.56 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  35,  36,
 &end
#
#    6 ARG  HG+           6 ARG  HA          4.00    (#   2724:20        Unique  3.47, 3.86 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  75, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  80,  81,
 &end
#
#    6 ARG  HG+           6 ARG  HB-         3.00    (#   2727:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  80,  81,
 igr2=  77,  78,
 &end
#
#    8 GLU  HA            8 GLU  HB-         3.00    (#   2729:20        Unique  2.35, 2.69 A)
 &rst
  ixpk= 2729, nxpk= 20, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 113, 114,
 &end
#
#   10 ARG  HB-          10 ARG  HA          3.50    (#   2731:20        Unique  2.31, 2.77 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 142, 143,
 &end
#
#   10 ARG  HA           10 ARG  HB+         3.50    (#   2733:20        Unique  2.31, 2.77 A)
 &rst
  ixpk= 2733, nxpk= 20, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 142, 143,
 &end
#
#   11 GLU  HN           11 GLU  HG+         3.80    (#   2734:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2734, nxpk= 20, iat= 162,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 169, 170,
 &end
#
#   10 ARG  HG-          11 GLU  HG-         6.00    (#   2736:20        Unique  3.73, 6.32 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 145, 146,
 igr2= 169, 170,
 &end
#
#   12 HIS  HB-          12 HIS  HA          3.00    (#   2739:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2739, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#   12 HIS  HB+          12 HIS  HA          3.00    (#   2740:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#   16 THR  MG2          12 HIS  HA          4.00    (#   2741:20        Unique  3.31, 4.36 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 258, 259, 260,
 &end
#
#   15 GLU  HB-          12 HIS  HA          4.00    (#   2742:20        Unique  2.48, 3.29 A)
 &rst
  ixpk= 2742, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 241, 242,
 &end
#
#   15 GLU  HG+          12 HIS  HA          5.00    (#   2743:20        Unique  3.42, 4.24 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 244, 245,
 &end
#
#   15 GLU  HB+          12 HIS  HA          4.50    (#   2744:20        Unique  2.48, 3.29 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1, 179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 241, 242,
 &end
#
#   12 HIS  HA           12 HIS  HB+         3.50    (#   2749:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2749, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 181, 182,
 &end
#
#   12 HIS  HA           12 HIS  HB-         3.50    (#   2750:20        Unique  2.30, 2.74 A)
 &rst
  ixpk= 2750, nxpk= 20, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 181, 182,
 &end
#
#    0 AMB  20-2:2751     0 AMB  20-1:2751   5.00    (#   2751:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 111, 126,
 igr2= 181, 182, 181, 182,
 &end
#
#    0 AMB  20-2:2752    12 HIS  HB-         6.00    (#   2752:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 111, 126,
 igr2= 181, 182,
 &end
#
#   14 ILE  HN           10 ARG  HA          4.00    (#   2753:20        Unique  2.30, 2.53 A)
 &rst
  ixpk= 2753, nxpk= 20, iat= 218, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ARG  HD+          13 ARG  HA          4.00    (#   2755:20        Unique  2.03, 4.03 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 204, 205,
 &end
#
#   13 ARG  HB-           0 AMB  20-1:2756   3.00    (#   2756:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 198, 199,
 igr2= 196, 140,
 &end
#
#    0 AMB  20-2:2757     0 AMB  20-1:2757   5.00    (#   2757:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 222, 273, 274,
 igr2= 140, 196,
 &end
#
#   10 ARG  HB+          10 ARG  HA          3.00    (#   2758:20        Unique  2.31, 2.77 A)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 142, 143,
 &end
#
#   13 ARG  HG-          13 ARG  HA          4.00    (#   2759:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 201, 202,
 &end
#
#   14 ILE  HN           13 ARG  HB-         3.00    (#   2760:20        Unique  1.83, 2.50 A)
 &rst
  ixpk= 2760, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 198, 199,
 &end
#
#    0 AMB  20-2:2761     0 AMB  20-1:2761   3.00    (#   2761:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 883, 884, 204, 205,
 igr2= 877, 878, 198, 199,
 &end
#
#    0 AMB  20-2:2762     0 AMB  20-1:2762   3.00    (#   2762:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 883, 884, 204, 205, 148, 149,
 igr2= 877, 878, 198, 199, 145, 146,
 &end
#
#   13 ARG  HG+          13 ARG  HB+         3.20    (#   2763:20        Unique  2.23, 2.68 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   13 ARG  HA           13 ARG  HG+         4.00    (#   2764:20        Unique  2.48, 3.18 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   18 ILE  HG1-         14 ILE  HA          5.50    (#   2765:20        Unique  1.97, 3.35 A)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
#   18 ILE  HG1+         14 ILE  HA          5.50    (#   2766:20        Unique  1.97, 3.35 A)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 291, 292,
 &end
#
#   15 GLU  HB-          14 ILE  HB          5.00    (#   2767:20        Unique  4.76, 5.43 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#  100 ILE  QD1         100 ILE  HB          4.00    (#   2768:20        Unique  2.06, 3.20 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,1587, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#   19 ILE  QG2          14 ILE  QG2         4.00    (#   2772:20        Unique  4.86, 7.74 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 306, 307, 308,
 igr2= 224, 225, 226,
 &end
#
#    0 AMB  20-2:2773    14 ILE  QG2         3.00    (#   2773:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 313, 314, 315, 142, 143,
 igr2= 224, 225, 226,
 &end
#
#   10 ARG  HN            8 GLU  HA          4.00    (#   2774:20        Unique  3.02, 3.17 A)
 &rst
  ixpk= 2774, nxpk= 20, iat= 138, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  20-2:2775     0 AMB  20-1:2775   3.00    (#   2775:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 237, 470,
 igr2= 239, 423,
 &end
#
#   18 ILE  HN           15 GLU  HA          5.50    (#   2776:20        Unique  3.81, 4.03 A)
 &rst
  ixpk= 2776, nxpk= 20, iat= 281, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 VAL  HN           15 GLU  HA          4.50    (#   2777:20        Unique  3.67, 3.98 A)
 &rst
  ixpk= 2777, nxpk= 20, iat= 319, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 GLU  HA           15 GLU  HG-         3.00    (#   2779:20        Unique  2.80, 3.30 A)
 &rst
  ixpk= 2779, nxpk= 20, iat= 239,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 244, 245,
 &end
#
#   16 THR  MG2          15 GLU  HG-         3.00    (#   2780:20        Unique  1.98, 3.19 A)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 258, 259, 260,
 igr2= 244, 245,
 &end
#
#   18 ILE  HG1+         17 GLU  HB+         6.00    (#   2781:20        Unique  2.84, 4.19 A)
 &rst
  ixpk= 2781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 291, 292,
 igr2= 270, 271,
 &end
#
#   18 ILE  HG1+         17 GLU  HB-         6.00    (#   2782:20        Unique  2.84, 4.19 A)
 &rst
  ixpk= 2782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 291, 292,
 igr2= 270, 271,
 &end
#
#   18 ILE  QD1          17 GLU  HB+         7.00    (#   2783:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 294, 295, 296,
 igr2= 270, 271,
 &end
#
#   18 ILE  QD1          17 GLU  HB-         7.00    (#   2784:20        Unique  4.01, 5.80 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 294, 295, 296,
 igr2= 270, 271,
 &end
#
#   17 GLU  HN           17 GLU  HG+         6.00    (#   2785:20        Unique  2.90, 3.52 A)
 &rst
  ixpk= 2785, nxpk= 20, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 273, 274,
 &end
#
#   18 ILE  HG1+         18 ILE  QD1         5.00    (#   2786:20        Unique  2.23, 2.62 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 291, 292,
 igr2= 294, 295, 296,
 &end
#
#   18 ILE  QG2          18 ILE  QD1         5.00    (#   2787:20        Unique  1.94, 3.59 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 igr2= 294, 295, 296,
 &end
#
#   22 ALA  HN           19 ILE  HA          5.00    (#   2789:20        Unique  3.81, 3.99 A)
 &rst
  ixpk= 2789, nxpk= 20, iat= 347, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HG1-         19 ILE  HA          4.00    (#   2790:20        Unique  3.16, 3.76 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 310, 311,
 &end
#
#   19 ILE  HA           19 ILE  HB          3.00    (#   2791:20        Unique  2.53, 2.66 A)
 &rst
  ixpk= 2791, nxpk= 20, iat= 302, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 GLU  HA           26 GLU  HG+         3.00    (#   2792:20        Unique  2.20, 2.84 A)
 &rst
  ixpk= 2792, nxpk= 20, iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 413, 414,
 &end
#
#   19 ILE  QD1          19 ILE  HB          3.00    (#   2793:20        Unique  2.20, 3.54 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 313, 314, 315,
 &end
#
#   18 ILE  QG2          19 ILE  HB          7.00    (#   2794:20        Unique  4.54, 5.95 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   19 ILE  HN           20 VAL  HA          5.00    (#   2795:20        Unique  4.08, 4.42 A)
 &rst
  ixpk= 2795, nxpk= 20, iat= 300, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  20-2:2797     0 AMB  20-1:2797   4.00    (#   2797:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310, 306, 307, 308,
 igr2=1564,1565, 321,
 &end
#
#    0 AMB  20-2:2798    98 SER  HB-         4.00    (#   2798:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 igr2=1564,1565,
 &end
#
#   22 ALA  HN           20 VAL  MGX         6.00    (#   2799:20        Unique  3.47, 5.71 A)
 &rst
  ixpk= 2799, nxpk= 20, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   16 THR  HA           20 VAL  MGX         4.00    (#   2800:20        Unique  1.97, 4.29 A)
 &rst
  ixpk= 2800, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   21 ASP  HB+          20 VAL  MGX         4.00    (#   2801:20        Unique  2.31, 5.54 A)
 &rst
  ixpk= 2801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 339, 340,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#   18 ILE  HN           20 VAL  MGY         7.00    (#   2802:20        Unique  3.38, 5.97 A)
 &rst
  ixpk= 2802, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2= 325, 326, 327, 329, 330, 331,
 &end
#
#    0 AMB  20-2:2803     0 AMB  20-1:2803   5.50    (#   2803:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1047, 241, 242,
 igr2=1464,1465,1466,1468,1469,1470, 325, 326, 327, 329,
       330, 331,
 &end
#
#   21 ASP  HN           22 ALA  MB          5.50    (#   2804:20        Unique  3.80, 4.89 A)
 &rst
  ixpk= 2804, nxpk= 20, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 351, 352, 353,
 &end
#
#   23 GLU  HN           23 GLU  HB-         3.50    (#   2805:20        Unique  2.59, 3.25 A)
 &rst
  ixpk= 2805, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 361, 362,
 &end
#
#   24 ASP  HN           23 GLU  HB+         4.00    (#   2806:20        Unique  3.31, 3.83 A)
 &rst
  ixpk= 2806, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 361, 362,
 &end
#
#   24 ASP  HN           23 GLU  HB-         3.00    (#   2807:20        Unique  3.31, 3.83 A)
 &rst
  ixpk= 2807, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 361, 362,
 &end
#
#   23 GLU  HA           23 GLU  HB+         3.00    (#   2808:20        Unique  2.39, 2.73 A)
 &rst
  ixpk= 2808, nxpk= 20, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 361, 362,
 &end
#
#   24 ASP  HN           24 ASP  HB+         3.50    (#   2809:20        Unique  2.13, 2.79 A)
 &rst
  ixpk= 2809, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 376, 377,
 &end
#
#   25 LYS  HN           25 LYS  HA          3.50    (#   2810:20        Unique  2.73, 2.76 A)
 &rst
  ixpk= 2810, nxpk= 20, iat= 384, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  126 PHE  HB-          25 LYS  HA          4.00    (#   2811:20        Unique  2.61, 4.41 A)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#    0 AMB  20-2:2812    25 LYS  HA          4.50    (#   2812:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 391, 392,1986,1987,
 &end
#
#   25 LYS  HA           25 LYS  HG-         4.50    (#   2813:20        Unique  3.57, 3.91 A)
 &rst
  ixpk= 2813, nxpk= 20, iat= 386,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 391, 392,
 &end
#
#   26 GLU  HG+          26 GLU  HA          3.00    (#   2814:20        Unique  2.20, 2.84 A)
 &rst
  ixpk= 2814, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 413, 414,
 &end
#
#   26 GLU  HB+          26 GLU  HA          3.00    (#   2815:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#   26 GLU  HB-          26 GLU  HA          3.00    (#   2816:20        Unique  2.43, 2.77 A)
 &rst
  ixpk= 2816, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#    0 AMB  20-2:2817    26 GLU  HA          3.00    (#   2817:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2817, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 &end
#
#   75 LEU  MDX          26 GLU  HA          3.00    (#   2818:20        Unique  2.66, 4.89 A)
 &rst
  ixpk= 2818, nxpk= 20, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   22 ALA  HA           27 GLU  HG-         4.50    (#   2820:20        Unique  3.16, 3.86 A)
 &rst
  ixpk= 2820, nxpk= 20, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 428, 429,
 &end
#
#    0 AMB  20-2:2821    27 GLU  HG-         3.00    (#   2821:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 425, 426, 410, 411,
 igr2= 428, 429,
 &end
#
#    0 AMB  20-2:2822    28 ARG  HA          5.50    (#   2822:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2822, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 372, 347,
 &end
#
#   32 TRP  HN           28 ARG  HA          4.80    (#   2823:20        Unique  4.02, 4.20 A)
 &rst
  ixpk= 2823, nxpk= 20, iat= 494, 438, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#    0 AMB  20-2:2826    28 ARG  HA          5.00    (#   2826:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2826, nxpk= 20, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 464, 465, 466,1267,1268,
 &end
#
#   30 MET  ME           29 ALA  MB          3.00    (#   2828:20        Unique  2.20, 3.64 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 481, 482, 483,
 igr2= 464, 465, 466,
 &end
#
#   34 TYR  HN           30 MET  HA          4.50    (#   2829:20        Unique  3.62, 3.90 A)
 &rst
  ixpk= 2829, nxpk= 20, iat= 539, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 MET  HG+          30 MET  HA          3.00    (#   2830:20        Unique  3.12, 3.48 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 477, 478,
 &end
#
#    0 AMB  20-2:2831    30 MET  HA          4.00    (#   2831:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 477, 478,1161,1162,
 &end
#
#   30 MET  HB-          30 MET  HA          3.50    (#   2832:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2832, nxpk= 20, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   30 MET  HA           30 MET  HB+         3.50    (#   2833:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 2833, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 474, 475,
 &end
#
#    0 AMB  20-2:2834    30 MET  HB-         5.00    (#   2834:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
 igr2= 474, 475,
 &end
#
#   30 MET  HA           30 MET  HG+         4.00    (#   2835:20        Unique  3.12, 3.48 A)
 &rst
  ixpk= 2835, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 477, 478,
 &end
#
#   30 MET  HA           30 MET  HG-         4.00    (#   2836:20        Unique  3.12, 3.48 A)
 &rst
  ixpk= 2836, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 477, 478,
 &end
#
#   27 GLU  HA           30 MET  HG+         4.00    (#   2837:20        Unique  2.18, 2.45 A)
 &rst
  ixpk= 2837, nxpk= 20, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 477, 478,
 &end
#
#   31 GLY  HN           31 GLY  HA+         3.00    (#   2839:20        Unique  2.29, 2.55 A)
 &rst
  ixpk= 2839, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 489, 490,
 &end
#
#   32 TRP  HN           31 GLY  HA+         3.50    (#   2840:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2840, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
#   32 TRP  HN           31 GLY  HA-         3.50    (#   2841:20        Unique  2.52, 3.09 A)
 &rst
  ixpk= 2841, nxpk= 20, iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 489, 490,
 &end
#
#   31 GLY  HN           31 GLY  HA-         3.00    (#   2842:20        Unique  2.29, 2.55 A)
 &rst
  ixpk= 2842, nxpk= 20, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 489, 490,
 &end
#
#   22 ALA  MB           31 GLY  HA+         5.00    (#   2843:20        Unique  3.00, 4.46 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 489, 490,
 &end
#
#   22 ALA  MB           31 GLY  HA-         5.00    (#   2844:20        Unique  3.00, 4.46 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 351, 352, 353,
 igr2= 489, 490,
 &end
#
#   19 ILE  QG2          31 GLY  HA+         4.50    (#   2845:20        Unique  1.92, 4.00 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 306, 307, 308,
 igr2= 489, 490,
 &end
#
#   19 ILE  QG2          31 GLY  HA-         4.50    (#   2846:20        Unique  1.92, 4.00 A)
 &rst
  ixpk= 2846, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 306, 307, 308,
 igr2= 489, 490,
 &end
#
#   18 ILE  QG2          31 GLY  HA+         7.00    (#   2847:20        Unique  3.53, 5.14 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 287, 288, 289,
 igr2= 489, 490,
 &end
#
#   35 TYR  HN           32 TRP  HA          4.50    (#   2848:20        Unique  3.82, 3.95 A)
 &rst
  ixpk= 2848, nxpk= 20, iat= 560, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  MDX          32 TRP  HA          5.00    (#   2852:20        Unique  3.64, 6.40 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1, 496, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   32 TRP  HA           32 TRP  HB+         3.50    (#   2854:20        Unique  2.58, 2.82 A)
 &rst
  ixpk= 2854, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   32 TRP  HA           32 TRP  HB-         3.50    (#   2855:20        Unique  2.58, 2.82 A)
 &rst
  ixpk= 2855, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 498, 499,
 &end
#
#   33 TYR  HD           33 TYR  HA          4.00    (#   2856:20        Unique  2.14, 3.48 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 526, 535,
 &end
#
#   33 TYR  HD           33 TYR  HB-         3.50    (#   2857:20        Unique  2.33, 3.07 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 535,
 igr2= 522, 523,
 &end
#
#   33 TYR  HD           33 TYR  HB+         3.50    (#   2858:20        Unique  2.33, 3.07 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 535,
 igr2= 522, 523,
 &end
#
#   30 MET  HA           33 TYR  HB-         4.00    (#   2859:20        Unique  2.87, 3.81 A)
 &rst
  ixpk= 2859, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 522, 523,
 &end
#
#   33 TYR  HA           33 TYR  HB-         3.50    (#   2860:20        Unique  2.32, 2.69 A)
 &rst
  ixpk= 2860, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HB-         4.00    (#   2861:20        Unique  1.82, 3.55 A)
 &rst
  ixpk= 2861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HB+         4.00    (#   2862:20        Unique  1.82, 3.55 A)
 &rst
  ixpk= 2862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2= 522, 523,
 &end
#
#   30 MET  ME           33 TYR  HB+         6.00    (#   2863:20        Unique  3.79, 5.15 A)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 481, 482, 483,
 igr2= 522, 523,
 &end
#
#   30 MET  ME           33 TYR  HB-         6.00    (#   2864:20        Unique  3.79, 5.15 A)
 &rst
  ixpk= 2864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 481, 482, 483,
 igr2= 522, 523,
 &end
#
#   30 MET  HA           33 TYR  HB+         4.80    (#   2865:20        Unique  2.87, 3.81 A)
 &rst
  ixpk= 2865, nxpk= 20, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 522, 523,
 &end
#
#   34 TYR  HN           33 TYR  HB-         3.50    (#   2866:20        Unique  2.27, 3.09 A)
 &rst
  ixpk= 2866, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 522, 523,
 &end
#
#   33 TYR  HN           33 TYR  HB-         3.00    (#   2867:20        Unique  2.29, 2.54 A)
 &rst
  ixpk= 2867, nxpk= 20, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 522, 523,
 &end
#
#   34 TYR  HD           34 TYR  HA          4.00    (#   2868:20        Unique  2.59, 3.37 A)
 &rst
  ixpk= 2868, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 547, 556,
 &end
#
#   34 TYR  HN           34 TYR  HA          3.50    (#   2869:20        Unique  2.68, 2.71 A)
 &rst
  ixpk= 2869, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2870    34 TYR  HA          5.50    (#   2870:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 549, 554, 568, 577,
 &end
#
#    0 AMB  20-2:2871    35 TYR  HA          4.00    (#   2871:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 624, 612,
 &end
#
#    0 AMB  20-2:2872    35 TYR  HA          6.00    (#   2872:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 604, 605, 588,
 &end
#
#   18 ILE  HG1+         35 TYR  HA          7.00    (#   2873:20        Unique  6.16, 7.54 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 291, 292,
 &end
#
#   35 TYR  HA           35 TYR  HB-         3.20    (#   2874:20        Unique  2.24, 2.66 A)
 &rst
  ixpk= 2874, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 564, 565,
 &end
#
#   32 TRP  HA           35 TYR  HB+         5.00    (#   2875:20        Unique  3.19, 4.34 A)
 &rst
  ixpk= 2875, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 564, 565,
 &end
#
#   32 TRP  HA           35 TYR  HB-         5.00    (#   2876:20        Unique  3.19, 4.34 A)
 &rst
  ixpk= 2876, nxpk= 20, iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 564, 565,
 &end
#
#   35 TYR  HN           35 TYR  HB-         3.50    (#   2877:20        Unique  2.12, 3.00 A)
 &rst
  ixpk= 2877, nxpk= 20, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 564, 565,
 &end
#
#   36 LEU  HN           35 TYR  HB+         4.00    (#   2878:20        Unique  2.68, 3.58 A)
 &rst
  ixpk= 2878, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 564, 565,
 &end
#
#   36 LEU  HG           36 LEU  HB-         3.50    (#   2879:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 2879, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   36 LEU  HG           36 LEU  HB+         3.50    (#   2880:20        Unique  2.45, 2.81 A)
 &rst
  ixpk= 2880, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#  112 ALA  HN           36 LEU  HG          6.00    (#   2881:20        Unique  6.15, 7.25 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=1756, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2883    36 LEU  HG          6.00    (#   2883:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2883, nxpk= 20, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 676, 677, 498, 499, 564, 565,
 &end
#
#  116 TRP  HB+          36 LEU  MDX         5.00    (#   2884:20        Unique  2.74, 5.26 A)
 &rst
  ixpk= 2884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1811,1812,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#  116 TRP  HB-          36 LEU  MDX         5.00    (#   2885:20        Unique  2.74, 5.26 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1811,1812,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#   78 MET  HG+          36 LEU  MDX         5.00    (#   2886:20        Unique  1.94, 4.21 A)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1267,1268,
 igr2= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HG          117 LEU  MDY         3.00    (#   2887:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 2887, nxpk= 20, iat=1838,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  HB+         117 LEU  MDY         3.00    (#   2888:20        Unique  2.08, 3.26 A)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1835,1836,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#  108 ASP  HB+          39 THR  MG2         4.00    (#   2890:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1702,1703,
 igr2= 630, 631, 632,
 &end
#
#   40 LEU  HN           37 ASP  HA          4.00    (#   2891:20        Unique  3.05, 3.52 A)
 &rst
  ixpk= 2891, nxpk= 20, iat= 638, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  MG2         108 ASP  HA          4.50    (#   2894:20        Unique  3.13, 3.83 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,1700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 630, 631, 632,
 &end
#
#   68 MET  HB-          37 ASP  HA          6.00    (#   2895:20        Unique  4.10, 5.12 A)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1, 602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1120,1121,
 &end
#
#   38 ASP  HB+          38 ASP  HA          3.00    (#   2896:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2896, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB-          38 ASP  HA          3.00    (#   2897:20        Unique  2.38, 2.75 A)
 &rst
  ixpk= 2897, nxpk= 20, iat=  -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#   35 TYR  HA           38 ASP  HB-         3.50    (#   2898:20        Unique  2.35, 3.08 A)
 &rst
  ixpk= 2898, nxpk= 20, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 616, 617,
 &end
#
#    0 AMB  20-2:2899    38 ASP  HB-         3.00    (#   2899:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 612, 624,
 igr2= 616, 617,
 &end
#
#    0 AMB  20-2:2900    39 THR  HB          5.50    (#   2900:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2900, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 562, 602,
 &end
#
#    0 AMB  20-2:2901    39 THR  HB          6.00    (#   2901:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 645,1127,1128,1129, 661, 662,
 &end
#
#    0 AMB  20-2:2902   117 LEU  MDY         4.00    (#   2902:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1583,1571,
 igr2=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  20-2:2903     0 AMB  20-1:2903   6.00    (#   2903:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
 igr1=1809,1619,1424,
 igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,1049,1050,1051,1053,1054,1055,
 &end
#
#   39 THR  HB           39 THR  MG2         3.00    (#   2904:20        Unique  2.26, 2.64 A)
 &rst
  ixpk= 2904, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 630, 631, 632,
 &end
#
#   41 GLU  HN           40 LEU  HA          3.00    (#   2905:20        Unique  2.25, 2.38 A)
 &rst
  ixpk= 2905, nxpk= 20, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   40 LEU  MDY          40 LEU  HA          3.00    (#   2908:20        Unique  1.96, 3.81 A)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  113 ILE  QD1          40 LEU  HA          5.00    (#   2909:20        Unique  3.52, 5.41 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1779,1780,1781,
 &end
#
#   40 LEU  HB-          40 LEU  HA          3.00    (#   2910:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1, 640, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   40 LEU  HG           40 LEU  HB+         3.00    (#   2911:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 2911, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 642, 643,
 &end
#
#   40 LEU  HG           40 LEU  HB-         3.00    (#   2912:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 2912, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 642, 643,
 &end
#
#    0 AMB  20-2:2913    40 LEU  MDX         6.00    (#   2913:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1714, 520,
 igr2= 647, 648, 649, 651, 652, 653,
 &end
#
#   40 LEU  HB+          40 LEU  HG          3.00    (#   2914:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#    0 AMB  20-2:2915    40 LEU  HG          3.00    (#   2915:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 647, 648, 649, 651, 652, 653,1776,1777,
 &end
#
#   40 LEU  MDX          40 LEU  HG          3.00    (#   2916:20        Unique  2.21, 2.63 A)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  20-2:2917    41 GLU  HA          3.00    (#   2917:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 657, 672,
 &end
#
#   40 LEU  HA           41 GLU  HA          5.00    (#   2920:20        Unique  4.32, 4.41 A)
 &rst
  ixpk= 2920, nxpk= 20, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 GLU  HG+          41 GLU  HA          4.00    (#   2921:20        Unique  3.55, 3.75 A)
 &rst
  ixpk= 2921, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 664, 665,
 &end
#
#   41 GLU  HB+          41 GLU  HA          3.00    (#   2922:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 661, 662,
 &end
#
#   41 GLU  HB-          41 GLU  HA          3.00    (#   2923:20        Unique  2.26, 2.45 A)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 661, 662,
 &end
#
#   41 GLU  HG+          41 GLU  HB-         3.00    (#   2924:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 664, 665,
 igr2= 661, 662,
 &end
#
#   41 GLU  HG+          41 GLU  HB+         3.00    (#   2925:20        Unique  2.21, 2.70 A)
 &rst
  ixpk= 2925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 664, 665,
 igr2= 661, 662,
 &end
#
#   42 PHE  HN           42 PHE  HA          3.00    (#   2926:20        Unique  2.55, 2.64 A)
 &rst
  ixpk= 2926, nxpk= 20, iat= 672, 674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 PHE  HN           42 PHE  HA          3.50    (#   2927:20        Unique  2.76, 2.89 A)
 &rst
  ixpk= 2927, nxpk= 20, iat= 706, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PHE  HD           42 PHE  HA          4.00    (#   2928:20        Unique  1.95, 4.02 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 680, 688,
 &end
#
#   43 PRO  HA           42 PHE  HA          2.80    (#   2930:20        Unique  1.96, 2.05 A)
 &rst
  ixpk= 2930, nxpk= 20, iat= 702, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   42 PHE  HB+          42 PHE  HA          3.00    (#   2932:20        Unique  2.26, 2.51 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 676, 677,
 &end
#
#   43 PRO  HA           42 PHE  HB-         4.00    (#   2933:20        Unique  2.60, 3.40 A)
 &rst
  ixpk= 2933, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 676, 677,
 &end
#
#   42 PHE  HN           42 PHE  HB+         4.00    (#   2934:20        Unique  2.15, 2.86 A)
 &rst
  ixpk= 2934, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 676, 677,
 &end
#
#   42 PHE  HN           42 PHE  HB-         3.50    (#   2935:20        Unique  2.15, 2.86 A)
 &rst
  ixpk= 2935, nxpk= 20, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 676, 677,
 &end
#
#   42 PHE  HD           43 PRO  HA          4.00    (#   2936:20        Unique  2.76, 4.47 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 680, 688,
 &end
#
#   66 LEU  HA           43 PRO  HA          4.00    (#   2937:20        Unique  3.03, 3.48 A)
 &rst
  ixpk= 2937, nxpk= 20, iat=1092, 702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PHE  HN           43 PRO  HB+         4.00    (#   2938:20        Unique  2.81, 3.29 A)
 &rst
  ixpk= 2938, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 699, 700,
 &end
#
#   66 LEU  MDX          43 PRO  HB-         3.00    (#   2939:20        Unique  3.05, 5.83 A)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2= 699, 700,
 &end
#
#   43 PRO  HB+          43 PRO  HG-         3.00    (#   2940:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 2940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   43 PRO  HB-          43 PRO  HG-         3.00    (#   2941:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 2941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   43 PRO  HB-          43 PRO  HG+         3.00    (#   2942:20        Unique  2.32, 2.58 A)
 &rst
  ixpk= 2942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 699, 700,
 igr2= 696, 697,
 &end
#
#   66 LEU  MDX          43 PRO  HG+         6.00    (#   2943:20        Unique  4.76, 7.50 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2= 696, 697,
 &end
#
#   43 PRO  HA           43 PRO  HG+         4.50    (#   2944:20        Unique  3.85, 3.94 A)
 &rst
  ixpk= 2944, nxpk= 20, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 696, 697,
 &end
#
#   44 PHE  HN           44 PHE  HB-         4.00    (#   2945:20        Unique  3.06, 3.63 A)
 &rst
  ixpk= 2945, nxpk= 20, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 710, 711,
 &end
#
#   44 PHE  HD           44 PHE  HB-         4.00    (#   2946:20        Unique  2.35, 3.03 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 714, 722,
 igr2= 710, 711,
 &end
#
#   46 GLY  HA+          45 MET  HA          5.00    (#   2947:20        Unique  4.31, 4.38 A)
 &rst
  ixpk= 2947, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 745, 746,
 &end
#
#   64 GLU  HB-          45 MET  HA          5.00    (#   2948:20        Unique  3.19, 4.35 A)
 &rst
  ixpk= 2948, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1063,1064,
 &end
#
#    0 AMB  20-2:2950    45 MET  HA          6.00    (#   2950:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1035,1036,1037,1377,1378,
 &end
#
#    0 AMB  20-2:2951    45 MET  HB-         4.00    (#   2951:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1631, 760, 761,
 igr2= 730, 731,
 &end
#
#    0 AMB  20-2:2952    45 MET  HG-         6.00    (#   2952:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1035,1036,1037,1377,1378,
 igr2= 733, 734,
 &end
#
#   47 LYS  HB+          47 LYS  HA          3.00    (#   2953:20        Unique  2.73, 2.85 A)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 754, 755,
 &end
#
#   47 LYS  HE+          47 LYS  HG+         3.00    (#   2954:20        Unique  1.94, 3.14 A)
 &rst
  ixpk= 2954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 763, 764,
 igr2= 757, 758,
 &end
#
#   60 GLU  HG+          47 LYS  HG-         4.50    (#   2955:20        Unique  2.48, 3.91 A)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 999,1000,
 igr2= 757, 758,
 &end
#
#    0 AMB  20-2:2956     0 AMB  20-1:2956   3.50    (#   2956:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 996, 997, 754, 755, 877, 878,
 igr2= 757, 758, 757, 758, 904, 905,
 &end
#
#   49 LYS  HB+          48 TRP  HA          5.00    (#   2958:20        Unique  4.82, 5.31 A)
 &rst
  ixpk= 2958, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 800, 801,
 &end
#
#    0 AMB  20-2:2959    48 TRP  HA          5.00    (#   2959:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2959, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1589,1590,1591, 822, 823,
 &end
#
#   63 VAL  MGX          48 TRP  HA          5.50    (#   2960:20        Unique  4.27, 6.02 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   61 LYS  HB-          48 TRP  HB+         3.50    (#   2961:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 2961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2= 776, 777,
 &end
#
#   61 LYS  HB+          48 TRP  HB+         4.00    (#   2962:20        Unique  1.91, 2.86 A)
 &rst
  ixpk= 2962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1011,1012,
 igr2= 776, 777,
 &end
#
#  100 ILE  HG1-         48 TRP  HB+         4.50    (#   2963:20        Unique  2.45, 3.97 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1593,1594,
 igr2= 776, 777,
 &end
#
#  100 ILE  HG1-         48 TRP  HB-         5.00    (#   2964:20        Unique  2.45, 3.97 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1593,1594,
 igr2= 776, 777,
 &end
#
#   49 LYS  HB+          49 LYS  HA          3.00    (#   2965:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 801,
 &end
#
#   49 LYS  HG+          49 LYS  HB-         3.00    (#   2966:20        Unique  2.24, 2.58 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#   49 LYS  HG-          49 LYS  HB-         3.00    (#   2967:20        Unique  2.24, 2.58 A)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#   49 LYS  HG-          49 LYS  HB+         4.00    (#   2968:20        Unique  2.24, 2.58 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 803, 804,
 igr2= 800, 801,
 &end
#
#   58 ILE  HG1-         49 LYS  HB+         6.50    (#   2969:20        Unique  3.10, 5.22 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1= 968, 969,
 igr2= 800, 801,
 &end
#
#   58 ILE  QG2          49 LYS  HB-         5.00    (#   2970:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 2970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 964, 965, 966,
 igr2= 800, 801,
 &end
#
#   50 LYS  HN           49 LYS  HB-         5.00    (#   2971:20        Unique  3.97, 4.17 A)
 &rst
  ixpk= 2971, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 800, 801,
 &end
#
#   50 LYS  HN           49 LYS  HB+         5.00    (#   2972:20        Unique  3.97, 4.17 A)
 &rst
  ixpk= 2972, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 800, 801,
 &end
#
#   48 TRP  HA           49 LYS  HB-         6.00    (#   2973:20        Unique  4.82, 5.31 A)
 &rst
  ixpk= 2973, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 &end
#
#   99 ASP  HA           49 LYS  HB-         6.00    (#   2974:20        Unique  4.12, 5.40 A)
 &rst
  ixpk= 2974, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 800, 801,
 &end
#
#   50 LYS  HN           49 LYS  HG-         6.00    (#   2975:20        Unique  4.97, 5.58 A)
 &rst
  ixpk= 2975, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 803, 804,
 &end
#
#   50 LYS  HE+          50 LYS  HB-         5.00    (#   2976:20        Unique  2.24, 3.48 A)
 &rst
  ixpk= 2976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 831, 832,
 igr2= 822, 823,
 &end
#
#   50 LYS  HN            0 AMB  20-1:2977   5.00    (#   2977:20        Single  0.00, 0.00  )
 &rst
  ixpk= 2977, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 825, 826, 825, 826,
 &end
#
#   51 LYS  HN           50 LYS  HD+         5.50    (#   2978:20        Unique  4.15, 4.74 A)
 &rst
  ixpk= 2978, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 828, 829,
 &end
#
#   52 SER  HN           50 LYS  HD-         7.00    (#   2979:20        Unique  4.08, 5.74 A)
 &rst
  ixpk= 2979, nxpk= 20, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 828, 829,
 &end
#
#   48 TRP  HZ2          50 LYS  HE+         4.00    (#   2980:20        Unique  3.72, 4.90 A)
 &rst
  ixpk= 2980, nxpk= 20, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 831, 832,
 &end
#
#   51 LYS  HN           51 LYS  HB+         3.00    (#   2981:20        Unique  2.06, 2.88 A)
 &rst
  ixpk= 2981, nxpk= 20, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 844, 845,
 &end
#
#    0 AMB  20-2:2982     0 AMB  20-1:2982   6.00    (#   2982:20        Double  0.00, 0.00  )
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 937, 938, 820,
 igr2= 844, 845, 844, 845,
 &end
#
#   57 THR  HN           52 SER  HB+         7.00    (#   2983:20        Unique  2.61, 5.85 A)
 &rst
  ixpk= 2983, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 866, 867,
 &end
#
#   50 LYS  HG+          52 SER  HB+         7.00    (#   2985:20        Unique  3.22, 5.53 A)
 &rst
  ixpk= 2985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 825, 826,
 igr2= 866, 867,
 &end
#
#   10 ARG  HE           10 ARG  HD-         3.50    (#   2986:20        Unique  2.28, 2.75 A)
 &rst
  ixpk= 2986, nxpk= 20, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 148, 149,
 &end
#
#  118 TYR  HE           10 ARG  HD+         4.20    (#   2987:20        Unique  2.80, 8.49 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1860,1865,
 igr2= 148, 149,
 &end
#
#   10 ARG  HB-          10 ARG  HD+         4.00    (#   2988:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 142, 143,
 igr2= 148, 149,
 &end
#
#   10 ARG  HB+          10 ARG  HD+         4.00    (#   2989:20        Unique  1.97, 3.12 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 142, 143,
 igr2= 148, 149,
 &end
#
#   10 ARG  HG-          10 ARG  HD+         3.50    (#   2990:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 2990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 145, 146,
 igr2= 148, 149,
 &end
#
#   10 ARG  HG+          10 ARG  HD+         3.50    (#   2991:20        Unique  2.22, 2.67 A)
 &rst
  ixpk= 2991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 145, 146,
 igr2= 148, 149,
 &end
#
#   55 THR  HN           54 LYS  HA          4.50    (#   2993:20        Unique  2.50, 2.97 A)
 &rst
  ixpk= 2993, nxpk= 20, iat= 919, 899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 LYS  HA           54 LYS  HB-         3.00    (#   2994:20        Unique  2.33, 2.74 A)
 &rst
  ixpk= 2994, nxpk= 20, iat= 899,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 901, 902,
 &end
#
#   56 SER  HN           56 SER  HA          3.50    (#   2995:20        Unique  2.28, 2.48 A)
 &rst
  ixpk= 2995, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 LYS  HG+          56 SER  HA          4.20    (#   2997:20        Unique  1.97, 4.48 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 847, 848,
 &end
#
#   56 SER  HN           56 SER  HB-         4.50    (#   2998:20        Unique  2.33, 3.57 A)
 &rst
  ixpk= 2998, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   56 SER  HN           56 SER  HB+         4.50    (#   2999:20        Unique  2.33, 3.57 A)
 &rst
  ixpk= 2999, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   57 THR  HN           56 SER  HB-         5.50    (#   3000:20        Unique  2.15, 3.67 A)
 &rst
  ixpk= 3000, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   57 THR  HN           56 SER  HB+         5.50    (#   3001:20        Unique  2.15, 3.67 A)
 &rst
  ixpk= 3001, nxpk= 20, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 937, 938,
 &end
#
#   55 THR  HN           55 THR  HA          4.50    (#   3002:20        Unique  2.72, 2.84 A)
 &rst
  ixpk= 3002, nxpk= 20, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 SER  HN           55 THR  HA          5.00    (#   3003:20        Unique  2.14, 3.11 A)
 &rst
  ixpk= 3003, nxpk= 20, iat= 933, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   87 GLY  HA-          88 LYS  HD+         5.50    (#   3004:20        Unique  3.54, 4.79 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1395,1396,
 igr2=1410,1411,
 &end
#
#   57 THR  HN           57 THR  HA          5.00    (#   3005:20        Unique  2.30, 2.78 A)
 &rst
  ixpk= 3005, nxpk= 20, iat= 944, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LYS  HG+          57 THR  HA          7.00    (#   3006:20        Unique  5.44, 6.93 A)
 &rst
  ixpk= 3006, nxpk= 20, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 847, 848,
 &end
#
#    0 AMB  20-2:3007    57 THR  HB          6.00    (#   3007:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3007, nxpk= 20, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 962, 981, 982, 844, 845,
 &end
#
#    0 AMB  20-2:3008    55 THR  MG2         6.00    (#   3008:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 921, 864,
 igr2= 925, 926, 927,
 &end
#
#   58 ILE  HA           58 ILE  QD1         4.00    (#   3009:20        Unique  2.17, 3.37 A)
 &rst
  ixpk= 3009, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 971, 972, 973,
 &end
#
#   51 LYS  HA           58 ILE  QD1         3.00    (#   3010:20        Unique  2.01, 4.13 A)
 &rst
  ixpk= 3010, nxpk= 20, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 971, 972, 973,
 &end
#
#   51 LYS  HB-          58 ILE  QD1         5.50    (#   3011:20        Unique  2.01, 5.49 A)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 844, 845,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HG1-         58 ILE  QD1         3.00    (#   3012:20        Unique  2.21, 2.62 A)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 968, 969,
 igr2= 971, 972, 973,
 &end
#
#   58 ILE  HB           58 ILE  QG2         3.00    (#   3013:20        Unique  2.26, 2.63 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 962,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 964, 965, 966,
 &end
#
#   49 LYS  HB-          58 ILE  QG2         3.00    (#   3014:20        Unique  1.96, 3.85 A)
 &rst
  ixpk= 3014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 800, 801,
 igr2= 964, 965, 966,
 &end
#
#   60 GLU  HG+          60 GLU  HA          3.20    (#   3015:20        Unique  2.40, 2.73 A)
 &rst
  ixpk= 3015, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 999,1000,
 &end
#
#   47 LYS  HG-          60 GLU  HA          5.00    (#   3016:20        Unique  3.05, 4.30 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 757, 758,
 &end
#
#   47 LYS  HG+          60 GLU  HG+         4.00    (#   3017:20        Unique  2.48, 3.91 A)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 757, 758,
 igr2= 999,1000,
 &end
#
#   47 LYS  HG+          60 GLU  HG-         4.00    (#   3018:20        Unique  2.48, 3.91 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 757, 758,
 igr2= 999,1000,
 &end
#
#   58 ILE  QG2          60 GLU  HG+         5.00    (#   3019:20        Unique  2.41, 3.88 A)
 &rst
  ixpk= 3019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 964, 965, 966,
 igr2= 999,1000,
 &end
#
#   61 LYS  HD+          61 LYS  HB+         4.00    (#   3020:20        Unique  2.34, 3.34 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1017,1018,
 igr2=1011,1012,
 &end
#
#   61 LYS  HN           61 LYS  HG+         4.80    (#   3021:20        Unique  4.15, 4.42 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=1007,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1014,1015,
 &end
#
#   48 TRP  HB+          61 LYS  HG-         6.00    (#   3022:20        Unique  4.21, 5.13 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 776, 777,
 igr2=1014,1015,
 &end
#
#   63 VAL  MGY           0 AMB  20-1:3024   5.00    (#   3024:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1014,1015,1014,1015,
 &end
#
#   47 LYS  HD+          62 THR  HA          3.50    (#   3026:20        Unique  2.22, 2.87 A)
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 760, 761,
 &end
#
#   63 VAL  MGY          62 THR  HA          5.00    (#   3027:20        Unique  3.50, 4.92 A)
 &rst
  ixpk= 3027, nxpk= 20, iat=  -1,1031, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3028    62 THR  HB          5.00    (#   3028:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3028, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1371,1011,1012,
 &end
#
#   78 MET  HA           74 CYS  HA          5.00    (#   3029:20        Unique  3.88, 4.15 A)
 &rst
  ixpk= 3029, nxpk= 20, iat=1262,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   85 ILE  HN           63 VAL  HA          2.80    (#   3030:20        Unique  1.95, 2.11 A)
 &rst
  ixpk= 3030, nxpk= 20, iat=1367,1045, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   64 GLU  HN           63 VAL  HA          3.00    (#   3031:20        Unique  2.33, 2.47 A)
 &rst
  ixpk= 3031, nxpk= 20, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HN           63 VAL  HA          3.50    (#   3032:20        Unique  2.91, 2.93 A)
 &rst
  ixpk= 3032, nxpk= 20, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 VAL  HB           63 VAL  HA          7.00    (#   3033:20        Unique  3.71, 5.27 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=1333,1045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85 ILE  HG1-         63 VAL  HA          3.50    (#   3034:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 3034, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         63 VAL  HA          3.50    (#   3035:20        Unique  1.94, 2.84 A)
 &rst
  ixpk= 3035, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1377,1378,
 &end
#
#   63 VAL  MGY          63 VAL  HA          3.50    (#   3036:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          63 VAL  HA          3.00    (#   3037:20        Unique  1.97, 3.45 A)
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          63 VAL  HA          5.00    (#   3038:20        Unique  3.79, 5.32 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,1045, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  HN           63 VAL  HB          5.00    (#   3039:20        Unique  3.41, 3.81 A)
 &rst
  ixpk= 3039, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   66 LEU  MDX          64 GLU  HG+         3.00    (#   3040:20        Unique  2.49, 5.21 A)
 &rst
  ixpk= 3040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1099,1100,1101,1103,1104,1105,
 igr2=1066,1067,
 &end
#
#    0 AMB  20-2:3041     0 AMB  20-1:3041   3.00    (#   3041:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 776, 777,1811,1812,
 igr2=1049,1050,1051,1053,1054,1055, 590, 591, 592, 594,
       595, 596,
 &end
#
#   84 ASP  HB+          63 VAL  MGY         6.50    (#   3042:20        Unique  3.16, 6.20 A)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1=1359,1360,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  HB           63 VAL  MGY         3.00    (#   3043:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3043, nxpk= 20, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  20-2:3044   101 GLU  HB-         6.00    (#   3044:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1840,1841,1842,1844,1845,1846,1633,1634,1635,
 igr2=1606,1607,
 &end
#
#   65 VAL  HN           64 GLU  HG+         5.00    (#   3045:20        Unique  2.49, 3.50 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1066,1067,
 &end
#
#   65 VAL  HN           64 GLU  HG-         4.00    (#   3046:20        Unique  2.49, 3.50 A)
 &rst
  ixpk= 3046, nxpk= 20, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1066,1067,
 &end
#
#   66 LEU  HB-          65 VAL  HA          6.00    (#   3047:20        Unique  4.23, 5.00 A)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1094,1095,
 &end
#
#    0 AMB  20-2:3049    65 VAL  HA          5.00    (#   3049:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3049, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  HA           65 VAL  HA          3.00    (#   3050:20        Unique  2.01, 2.51 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=1331,1076, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   67 GLY  HN           65 VAL  HA          4.50    (#   3051:20        Unique  3.37, 3.59 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=1109,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  HN           65 VAL  HA          3.50    (#   3052:20        Unique  2.83, 2.85 A)
 &rst
  ixpk= 3052, nxpk= 20, iat=1074,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HN           65 VAL  HA          2.80    (#   3053:20        Unique  2.14, 2.18 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=1090,1076, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3054    65 VAL  HA          4.00    (#   3054:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3054, nxpk= 20, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1345,1059,
 &end
#
#    0 AMB  20-2:3055    65 VAL  HB          5.20    (#   3055:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3055, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 714, 722, 680, 688,
 &end
#
#   65 VAL  MGY          65 VAL  HB          3.00    (#   3056:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   75 LEU  HN           75 LEU  HA          3.00    (#   3057:20        Unique  2.28, 2.87 A)
 &rst
  ixpk= 3057, nxpk= 20, iat=1207,1209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 PHE  HB-          66 LEU  HA          6.00    (#   3058:20        Unique  4.59, 5.86 A)
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          66 LEU  HA          5.00    (#   3059:20        Unique  4.59, 5.86 A)
 &rst
  ixpk= 3059, nxpk= 20, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 676, 677,
 &end
#
#   67 GLY  HN           66 LEU  HB-         4.00    (#   3060:20        Unique  3.17, 3.71 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1094,1095,
 &end
#
#    0 AMB  20-2:3061     0 AMB  20-1:3061   7.50    (#   3061:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
 igr1=1474,1509,
 igr2=1099,1100,1101,1103,1104,1105,1097,
 &end
#
#   67 GLY  HN           66 LEU  MDX         5.00    (#   3063:20        Unique  4.42, 5.64 A)
 &rst
  ixpk= 3063, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   65 VAL  HA           66 LEU  MDX         5.00    (#   3065:20        Unique  3.13, 5.12 A)
 &rst
  ixpk= 3065, nxpk= 20, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#    0 AMB  20-2:3066    66 LEU  MDX         3.00    (#   3066:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1066,1067,1063,1064,
 igr2=1099,1100,1101,1103,1104,1105,
 &end
#
#   44 PHE  HD           67 GLY  HA+         6.00    (#   3067:20        Unique  4.77, 7.73 A)
 &rst
  ixpk= 3067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 714, 722,
 igr2=1111,1112,
 &end
#
#   69 ALA  HN           68 MET  HB+         4.00    (#   3068:20        Unique  1.87, 3.46 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1120,1121,
 &end
#
#   69 ALA  HN           68 MET  HB-         4.00    (#   3069:20        Unique  1.87, 3.46 A)
 &rst
  ixpk= 3069, nxpk= 20, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1120,1121,
 &end
#
#   37 ASP  HA           68 MET  ME          6.00    (#   3070:20        Unique  3.45, 5.94 A)
 &rst
  ixpk= 3070, nxpk= 20, iat= 602,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1127,1128,1129,
 &end
#
#   69 ALA  MB           69 ALA  HA          3.00    (#   3071:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3071, nxpk= 20, iat=  -1,1135, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  20-2:3072    70 PRO  HA          5.00    (#   3072:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3072, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1169,1133,
 &end
#
#   70 PRO  HD-          70 PRO  HA          4.50    (#   3073:20        Unique  3.60, 3.85 A)
 &rst
  ixpk= 3073, nxpk= 20, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1144,1145,
 &end
#
#   70 PRO  HD-          70 PRO  HB-         4.50    (#   3074:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HD-          70 PRO  HB+         4.50    (#   3075:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HD+          70 PRO  HB+         4.50    (#   3076:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HD+          70 PRO  HB-         4.50    (#   3077:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1144,1145,
 igr2=1150,1151,
 &end
#
#   70 PRO  HB-          70 PRO  HD-         4.00    (#   3079:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1150,1151,
 igr2=1144,1145,
 &end
#
#   70 PRO  HB-          70 PRO  HD+         4.00    (#   3080:20        Unique  2.98, 3.70 A)
 &rst
  ixpk= 3080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1150,1151,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:3081    70 PRO  HD-         3.00    (#   3081:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1188,1189,1147,1148,
 igr2=1144,1145,
 &end
#
#    0 AMB  20-2:3082    70 PRO  HD-         3.00    (#   3082:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1147,1148,1185,1186,
 igr2=1144,1145,
 &end
#
#   33 TYR  HE           71 ASP  HA          4.00    (#   3083:20        Unique  2.61, 6.11 A)
 &rst
  ixpk= 3083, nxpk= 20, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 528, 533,
 &end
#
#    0 AMB  20-2:3084    71 ASP  HB-         5.00    (#   3084:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 549, 554, 528, 533,
 igr2=1161,1162,
 &end
#
#    0 AMB  20-2:3085     0 AMB  20-1:3085   5.00    (#   3085:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3085, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 549, 554, 528, 533,
 igr2=1161,1162,1161,1162,
 &end
#
#   72 ASP  HN           71 ASP  HB+         4.50    (#   3086:20        Unique  3.08, 3.95 A)
 &rst
  ixpk= 3086, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   72 ASP  HN           71 ASP  HB-         4.50    (#   3087:20        Unique  3.08, 3.95 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1161,1162,
 &end
#
#   72 ASP  HA           72 ASP  HB+         3.00    (#   3088:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1173,1174,
 &end
#
#   72 ASP  HA           72 ASP  HB-         3.00    (#   3089:20        Unique  2.30, 2.67 A)
 &rst
  ixpk= 3089, nxpk= 20, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1173,1174,
 &end
#
#   72 ASP  HN           72 ASP  HB+         4.00    (#   3090:20        Unique  2.56, 3.20 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1173,1174,
 &end
#
#   72 ASP  HN           72 ASP  HB-         4.00    (#   3091:20        Unique  2.56, 3.20 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=1169,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1173,1174,
 &end
#
#   74 CYS  HN           73 GLU  HA          4.00    (#   3092:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 3092, nxpk= 20, iat=1196,1183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  HN           73 GLU  HA          5.00    (#   3093:20        Unique  4.28, 4.65 A)
 &rst
  ixpk= 3093, nxpk= 20, iat=1207,1183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   88 LYS  HB+          88 LYS  HA          3.50    (#   3094:20        Unique  2.28, 2.65 A)
 &rst
  ixpk= 3094, nxpk= 20, iat=  -1,1402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1404,1405,
 &end
#
#   33 TYR  HD           74 CYS  HB-         5.50    (#   3097:20        Unique  2.51, 4.70 A)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 535,
 igr2=1200,1201,
 &end
#
#   76 LYS  HN           75 LEU  HA          4.00    (#   3098:20        Unique  3.03, 3.24 A)
 &rst
  ixpk= 3098, nxpk= 20, iat=1226,1209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 MET  ME           75 LEU  HA          3.00    (#   3099:20        Unique  1.94, 3.29 A)
 &rst
  ixpk= 3099, nxpk= 20, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  20-2:3100     0 AMB  20-1:3100   3.00    (#   3100:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1233,1234,1637,1638,
 igr2=1230,1231, 754, 755,
 &end
#
#   78 MET  HN           78 MET  HA          3.50    (#   3102:20        Unique  2.84, 2.88 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=1260,1262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 CYS  HB+          78 MET  HA          5.00    (#   3103:20        Unique  3.02, 4.15 A)
 &rst
  ixpk= 3103, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1200,1201,
 &end
#
#   68 MET  ME           78 MET  HA          4.50    (#   3104:20        Unique  2.34, 3.79 A)
 &rst
  ixpk= 3104, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1127,1128,1129,
 &end
#
#    0 AMB  20-2:3105    78 MET  HA          4.00    (#   3105:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3105, nxpk= 20, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1267,1268,1550,1551,1552,1554,1555,1556,
 &end
#
#   78 MET  HA           78 MET  HB+         4.00    (#   3107:20        Unique  2.23, 2.71 A)
 &rst
  ixpk= 3107, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1264,1265,
 &end
#
#   78 MET  HN           78 MET  HB+         4.00    (#   3108:20        Unique  2.28, 3.10 A)
 &rst
  ixpk= 3108, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1264,1265,
 &end
#
#   78 MET  HN           78 MET  HB-         4.00    (#   3109:20        Unique  2.28, 3.10 A)
 &rst
  ixpk= 3109, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1264,1265,
 &end
#
#   78 MET  ME           78 MET  HG+         4.00    (#   3110:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 3110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1267,1268,
 &end
#
#   78 MET  ME           78 MET  HG-         4.00    (#   3111:20        Unique  2.17, 3.61 A)
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1271,1272,1273,
 igr2=1267,1268,
 &end
#
#   78 MET  HA           78 MET  HG+         4.00    (#   3112:20        Unique  2.79, 3.50 A)
 &rst
  ixpk= 3112, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1267,1268,
 &end
#
#   78 MET  HA           78 MET  HG-         4.00    (#   3113:20        Unique  2.79, 3.50 A)
 &rst
  ixpk= 3113, nxpk= 20, iat=1262,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1267,1268,
 &end
#
#   78 MET  HN           78 MET  HG-         3.50    (#   3114:20        Unique  1.95, 3.05 A)
 &rst
  ixpk= 3114, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1267,1268,
 &end
#
#   78 MET  HN           78 MET  HG+         3.50    (#   3115:20        Unique  1.95, 3.05 A)
 &rst
  ixpk= 3115, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1267,1268,
 &end
#
#   95 ALA  HN           79 TYR  HA          6.00    (#   3117:20        Unique  3.67, 4.17 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=1509,1279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 LEU  HB+          79 TYR  HA          5.00    (#   3119:20        Unique  2.07, 3.91 A)
 &rst
  ixpk= 3119, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1545,1546,
 &end
#
#    0 AMB  20-2:3120    79 TYR  HA          5.00    (#   3120:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,1279, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1523,1524,1127,1128,1129,1548,1529,1530,
 &end
#
#   69 ALA  MB           79 TYR  HB+         4.00    (#   3121:20        Unique  2.18, 4.84 A)
 &rst
  ixpk= 3121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1137,1138,1139,
 igr2=1281,1282,
 &end
#
#   69 ALA  MB           79 TYR  HB-         3.00    (#   3122:20        Unique  2.18, 4.84 A)
 &rst
  ixpk= 3122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1137,1138,1139,
 igr2=1281,1282,
 &end
#
#   80 VAL  HN           80 VAL  HA          3.50    (#   3123:20        Unique  2.90, 2.91 A)
 &rst
  ixpk= 3123, nxpk= 20, iat=1298,1300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 ALA  MB           80 VAL  HA          4.00    (#   3125:20        Unique  3.07, 4.81 A)
 &rst
  ixpk= 3125, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1137,1138,1139,
 &end
#
#   68 MET  HB+          80 VAL  HA          5.00    (#   3126:20        Unique  2.67, 4.00 A)
 &rst
  ixpk= 3126, nxpk= 20, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1120,1121,
 &end
#
#   80 VAL  MGY          80 VAL  HB          3.00    (#   3127:20        Unique  2.22, 2.63 A)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   82 VAL  HN           80 VAL  MGX         5.50    (#   3128:20        Unique  3.70, 6.03 A)
 &rst
  ixpk= 3128, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#   67 GLY  HN           80 VAL  MGX         5.50    (#   3129:20        Unique  3.36, 4.96 A)
 &rst
  ixpk= 3129, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:3130    80 VAL  MGX         5.00    (#   3130:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1285,1294, 791,
 igr2=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  20-2:3131    81 GLU  HA          6.50    (#   3131:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1509,1474,
 &end
#
#    0 AMB  20-2:3132    81 GLU  HA          5.00    (#   3132:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3132, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
      1085,1086,
 &end
#
#   82 VAL  MGX          81 GLU  HA          5.00    (#   3133:20        Unique  3.87, 5.51 A)
 &rst
  ixpk= 3133, nxpk= 20, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   67 GLY  HN           81 GLU  HB+         5.50    (#   3134:20        Unique  3.74, 4.91 A)
 &rst
  ixpk= 3134, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   67 GLY  HN           81 GLU  HB-         5.50    (#   3135:20        Unique  3.74, 4.91 A)
 &rst
  ixpk= 3135, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   82 VAL  HN           81 GLU  HB+         5.00    (#   3136:20        Unique  3.60, 4.13 A)
 &rst
  ixpk= 3136, nxpk= 20, iat=1329,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1318,1319,
 &end
#
#   70 PRO  HD-          81 GLU  HG-         5.50    (#   3138:20        Unique  3.64, 4.92 A)
 &rst
  ixpk= 3138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1144,1145,
 igr2=1321,1322,
 &end
#
#   63 VAL  HB           82 VAL  HB          4.70    (#   3139:20        Unique  1.84, 3.05 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=1047,1333, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   67 GLY  HN           82 VAL  MGX         7.00    (#   3140:20        Unique  4.19, 7.09 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   64 GLU  HA           82 VAL  MGX         6.00    (#   3142:20        Unique  3.22, 5.49 A)
 &rst
  ixpk= 3142, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  MGX          83 ALA  HA          4.00    (#   3143:20        Unique  3.27, 5.19 A)
 &rst
  ixpk= 3143, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   93 TYR  HD           83 ALA  HA          7.00    (#   3144:20        Unique  3.52, 5.40 A)
 &rst
  ixpk= 3144, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1482,1491,
 &end
#
#   93 TYR  HE           83 ALA  HA          7.00    (#   3146:20        Unique  3.52, 5.44 A)
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1484,1489,
 &end
#
#   87 GLY  HN           85 ILE  HA          5.20    (#   3147:20        Unique  4.34, 4.42 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=1393,1369, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   85 ILE  HN           85 ILE  QD1         5.00    (#   3148:20        Unique  4.04, 4.36 A)
 &rst
  ixpk= 3148, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:3149    85 ILE  QD1         4.00    (#   3149:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1059,1029,1345,
 igr2=1380,1381,1382,
 &end
#
#   63 VAL  HN           85 ILE  QD1         5.00    (#   3150:20        Unique  2.90, 4.44 A)
 &rst
  ixpk= 3150, nxpk= 20, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1380,1381,1382,
 &end
#
#   84 ASP  HA           85 ILE  QD1         6.00    (#   3151:20        Unique  5.87, 6.35 A)
 &rst
  ixpk= 3151, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1380,1381,1382,
 &end
#
#   64 GLU  HA           85 ILE  QD1         5.50    (#   3152:20        Unique  3.86, 4.74 A)
 &rst
  ixpk= 3152, nxpk= 20, iat=1061,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:3154    85 ILE  QD1         7.00    (#   3154:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1650,1651,1359,1360,
 igr2=1380,1381,1382,
 &end
#
#   45 MET  HB-          85 ILE  QD1         4.00    (#   3155:20        Unique  2.25, 3.83 A)
 &rst
  ixpk= 3155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 730, 731,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:3158    85 ILE  QG2         4.50    (#   3158:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1066,1067,1047, 737, 738, 739,
 igr2=1373,1374,1375,
 &end
#
#   85 ILE  HG1-         86 GLY  HA+         6.50    (#   3159:20        Unique  4.07, 5.18 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1377,1378,
 igr2=1388,1389,
 &end
#
#    0 AMB  20-2:3160    87 GLY  HA-         5.00    (#   3160:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1422,1367,
 igr2=1395,1396,
 &end
#
#    0 AMB  20-2:3161     0 AMB  20-1:3161   6.00    (#   3161:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1404,1405,1011,1012,
 igr2=1395,1396,1395,1396,
 &end
#
#   88 LYS  HG+          87 GLY  HA+         5.00    (#   3162:20        Unique  3.13, 4.65 A)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1407,1408,
 igr2=1395,1396,
 &end
#
#   88 LYS  HN           88 LYS  HB+         4.00    (#   3163:20        Unique  2.76, 3.30 A)
 &rst
  ixpk= 3163, nxpk= 20, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1404,1405,
 &end
#
#  103 ILE  QD1          47 LYS  HG+         4.50    (#   3164:20        Unique  2.18, 4.28 A)
 &rst
  ixpk= 3164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1640,1641,1642,
 igr2= 757, 758,
 &end
#
#   88 LYS  HE+          88 LYS  HD+         3.50    (#   3165:20        Unique  2.23, 2.72 A)
 &rst
  ixpk= 3165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1413,1414,
 igr2=1410,1411,
 &end
#
#   91 ASP  HN           91 ASP  HA          3.00    (#   3166:20        Unique  2.87, 2.90 A)
 &rst
  ixpk= 3166, nxpk= 20, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:3167    91 ASP  HA          5.00    (#   3167:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3167, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1404,1405,1462,
 &end
#
#    0 AMB  20-2:3168    91 ASP  HA          4.00    (#   3168:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3168, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
      1469,1470,
 &end
#
#   82 VAL  HN           92 VAL  HB          5.50    (#   3169:20        Unique  4.70, 5.02 A)
 &rst
  ixpk= 3169, nxpk= 20, iat=1329,1462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HN           92 VAL  MGY         4.00    (#   3170:20        Unique  2.20, 3.71 A)
 &rst
  ixpk= 3170, nxpk= 20, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   93 TYR  HB-          92 VAL  MGY         7.00    (#   3171:20        Unique  4.83, 7.03 A)
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1478,1479,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   92 VAL  HB           92 VAL  MGY         3.00    (#   3172:20        Unique  2.30, 2.63 A)
 &rst
  ixpk= 3172, nxpk= 20, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1464,1465,1466,1468,1469,1470,
 &end
#
#   93 TYR  HN           93 TYR  HB-         6.00    (#   3173:20        Unique  2.82, 3.38 A)
 &rst
  ixpk= 3173, nxpk= 20, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1478,1479,
 &end
#
#   82 VAL  MGX          94 THR  HA          5.00    (#   3174:20        Unique  3.99, 5.87 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=  -1,1497, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  20-2:3177    94 THR  HB          4.00    (#   3177:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3177, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1281,1282,1281,1282,
 &end
#
#   79 TYR  HD           94 THR  HB          5.50    (#   3178:20        Unique  2.05, 4.45 A)
 &rst
  ixpk= 3178, nxpk= 20, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1285,1294,
 &end
#
#   96 LYS  HA           95 ALA  MB          6.50    (#   3179:20        Unique  3.95, 4.65 A)
 &rst
  ixpk= 3179, nxpk= 20, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1513,1514,1515,
 &end
#
#   96 LYS  HG-          96 LYS  HB+         3.50    (#   3185:20        Unique  2.24, 2.56 A)
 &rst
  ixpk= 3185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1526,1527,
 igr2=1523,1524,
 &end
#
#   96 LYS  HB+          96 LYS  HG+         3.50    (#   3187:20        Unique  2.24, 2.56 A)
 &rst
  ixpk= 3187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1523,1524,
 igr2=1526,1527,
 &end
#
#   96 LYS  HB+          96 LYS  HG-         3.50    (#   3188:20        Unique  2.24, 2.56 A)
 &rst
  ixpk= 3188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1523,1524,
 igr2=1526,1527,
 &end
#
#    0 AMB  20-2:3189    97 LEU  HA          5.00    (#   3189:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3189, nxpk= 20, iat=  -1,1543, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1593,1594,1760,1761,1762,
 &end
#
#  116 TRP  HB+          97 LEU  MDY         6.00    (#   3190:20        Unique  2.45, 5.96 A)
 &rst
  ixpk= 3190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1811,1812,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#  113 ILE  HG1+         97 LEU  MDY         4.00    (#   3191:20        Unique  2.00, 4.13 A)
 &rst
  ixpk= 3191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1776,1777,
 igr2=1550,1551,1552,1554,1555,1556,
 &end
#
#   97 LEU  HA           97 LEU  HG          4.00    (#   3192:20        Unique  2.77, 3.35 A)
 &rst
  ixpk= 3192, nxpk= 20, iat=1543,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   98 SER  HN           98 SER  HB+         3.50    (#   3193:20        Unique  2.09, 2.96 A)
 &rst
  ixpk= 3193, nxpk= 20, iat=1560,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1564,1565,
 &end
#
#  116 TRP  HE1          98 SER  HA          3.50    (#   3195:20        Unique  1.93, 2.83 A)
 &rst
  ixpk= 3195, nxpk= 20, iat=1817,1562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HN           99 ASP  HB+         5.50    (#   3196:20        Unique  3.80, 5.04 A)
 &rst
  ixpk= 3196, nxpk= 20, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1575,1576,
 &end
#
#    0 AMB  20-2:3197     0 AMB  20-1:3197   6.50    (#   3197:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
 igr1=1596,1597,1598,1513,1514,1515,
 igr2=1575,1576,1575,1576,
 &end
#
#   49 LYS  HN          100 ILE  HA          3.00    (#   3198:20        Unique  2.30, 2.53 A)
 &rst
  ixpk= 3198, nxpk= 20, iat= 796,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HG1+        100 ILE  HA          3.00    (#   3199:20        Unique  1.95, 2.62 A)
 &rst
  ixpk= 3199, nxpk= 20, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1593,1594,
 &end
#
#   63 VAL  MGX         100 ILE  HG1-        6.00    (#   3200:20        Unique  2.95, 5.13 A)
 &rst
  ixpk= 3200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2=1593,1594,
 &end
#
#   48 TRP  HE1         100 ILE  QD1         6.00    (#   3201:20        Unique  4.30, 6.87 A)
 &rst
  ixpk= 3201, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HN          100 ILE  QD1         5.00    (#   3202:20        Unique  2.53, 4.20 A)
 &rst
  ixpk= 3202, nxpk= 20, iat= 772,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1596,1597,1598,
 &end
#
#    0 AMB  20-2:3203   100 ILE  QD1         5.00    (#   3203:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1519,1043,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HD1         100 ILE  QD1         4.50    (#   3204:20        Unique  3.47, 5.85 A)
 &rst
  ixpk= 3204, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HB-         100 ILE  QD1         4.00    (#   3206:20        Unique  1.80, 4.20 A)
 &rst
  ixpk= 3206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 776, 777,
 igr2=1596,1597,1598,
 &end
#
#   48 TRP  HA          100 ILE  QG2         5.00    (#   3208:20        Unique  4.56, 5.15 A)
 &rst
  ixpk= 3208, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1589,1590,1591,
 &end
#
#  102 ALA  HA          100 ILE  QG2         4.00    (#   3209:20        Unique  3.60, 4.87 A)
 &rst
  ixpk= 3209, nxpk= 20, iat=1619,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1589,1590,1591,
 &end
#
#  105 VAL  HN          102 ALA  MB          5.00    (#   3212:20        Unique  3.93, 5.08 A)
 &rst
  ixpk= 3212, nxpk= 20, iat=1658,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  20-2:3213   103 ILE  HA          5.50    (#   3213:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3213, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1650,1651, 733, 734,
 &end
#
#  104 ASP  HB+         103 ILE  HA          5.00    (#   3214:20        Unique  4.23, 4.82 A)
 &rst
  ixpk= 3214, nxpk= 20, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1650,1651,
 &end
#
#  103 ILE  HB          104 ASP  HB+         5.00    (#   3215:20        Unique  3.76, 4.89 A)
 &rst
  ixpk= 3215, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1650,1651,
 &end
#
#    0 AMB  20-2:3216   105 VAL  MGX         6.00    (#   3216:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1617, 750,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:3217   105 VAL  MGX         4.00    (#   3217:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1619,1676,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HA          105 VAL  MGX         4.00    (#   3218:20        Unique  2.74, 4.75 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   44 PHE  HB-         105 VAL  MGX         6.00    (#   3219:20        Unique  2.37, 5.33 A)
 &rst
  ixpk= 3219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 710, 711,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  HB          105 VAL  MGY         4.50    (#   3221:20        Unique  2.91, 4.07 A)
 &rst
  ixpk= 3221, nxpk= 20, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  110 GLN  HG+         105 VAL  MGY         5.00    (#   3222:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 3222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1731,1732,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#   39 THR  MG2         108 ASP  HB+         4.00    (#   3223:20        Unique  1.95, 3.61 A)
 &rst
  ixpk= 3223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 630, 631, 632,
 igr2=1702,1703,
 &end
#
#  113 ILE  QD1         109 THR  HA          4.00    (#   3224:20        Unique  3.29, 4.58 A)
 &rst
  ixpk= 3224, nxpk= 20, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1779,1780,1781,
 &end
#
#  106 ASP  HN          109 THR  HB          3.00    (#   3225:20        Unique  2.20, 2.55 A)
 &rst
  ixpk= 3225, nxpk= 20, iat=1674,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          109 THR  HB          3.00    (#   3226:20        Unique  2.34, 2.46 A)
 &rst
  ixpk= 3226, nxpk= 20, iat=1710,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  110 GLN  HN          109 THR  HB          3.00    (#   3227:20        Unique  2.17, 2.22 A)
 &rst
  ixpk= 3227, nxpk= 20, iat=1724,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  105 VAL  HB          109 THR  HB          4.30    (#   3228:20        Unique  1.96, 2.17 A)
 &rst
  ixpk= 3228, nxpk= 20, iat=1662,1714, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  105 VAL  MGX         109 THR  HB          3.00    (#   3229:20        Unique  2.91, 4.07 A)
 &rst
  ixpk= 3229, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  MG2         109 THR  HB          3.00    (#   3230:20        Unique  2.23, 2.64 A)
 &rst
  ixpk= 3230, nxpk= 20, iat=  -1,1714, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1716,1717,1718,
 &end
#
#   44 PHE  HD          109 THR  MG2         5.00    (#   3231:20        Unique  3.32, 4.65 A)
 &rst
  ixpk= 3231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 714, 722,
 igr2=1716,1717,1718,
 &end
#
#   40 LEU  HA          109 THR  MG2         3.00    (#   3234:20        Unique  1.99, 3.60 A)
 &rst
  ixpk= 3234, nxpk= 20, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1716,1717,1718,
 &end
#
#  102 ALA  MB          109 THR  MG2         3.00    (#   3235:20        Unique  2.30, 4.16 A)
 &rst
  ixpk= 3235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1621,1622,1623,
 igr2=1716,1717,1718,
 &end
#
#  110 GLN  HB-         110 GLN  HA          3.00    (#   3236:20        Unique  2.58, 2.81 A)
 &rst
  ixpk= 3236, nxpk= 20, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  111 GLU  HN          110 GLN  HG-         5.00    (#   3237:20        Unique  3.79, 4.48 A)
 &rst
  ixpk= 3237, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1731,1732,
 &end
#
#  110 GLN  HN          110 GLN  HG-         4.50    (#   3238:20        Unique  4.00, 4.39 A)
 &rst
  ixpk= 3238, nxpk= 20, iat=1724,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2+        110 GLN  HG-         4.00    (#   3239:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 3239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#  110 GLN  HE2-        110 GLN  HG-         4.00    (#   3240:20        Unique  2.28, 3.37 A)
 &rst
  ixpk= 3240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1736,1737,
 igr2=1731,1732,
 &end
#
#    0 AMB  20-2:3241   110 GLN  HG-         5.00    (#   3241:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1688,1629,
 igr2=1731,1732,
 &end
#
#  110 GLN  HA          110 GLN  HG-         3.80    (#   3242:20        Unique  2.24, 3.16 A)
 &rst
  ixpk= 3242, nxpk= 20, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1731,1732,
 &end
#
#  110 GLN  HB+         110 GLN  HG-         3.00    (#   3243:20        Unique  2.23, 2.56 A)
 &rst
  ixpk= 3243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1728,1729,
 igr2=1731,1732,
 &end
#
#  105 VAL  MGX         110 GLN  HG-         4.00    (#   3244:20        Unique  2.65, 5.34 A)
 &rst
  ixpk= 3244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1731,1732,
 &end
#
#  102 ALA  MB          110 GLN  HG-         5.00    (#   3245:20        Unique  1.97, 4.17 A)
 &rst
  ixpk= 3245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1621,1622,1623,
 igr2=1731,1732,
 &end
#
#  114 ALA  MB          110 GLN  HG-         6.00    (#   3246:20        Unique  4.13, 5.89 A)
 &rst
  ixpk= 3246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1789,1790,1791,
 igr2=1731,1732,
 &end
#
#  112 ALA  HN          111 GLU  HA          4.00    (#   3247:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 3247, nxpk= 20, iat=1756,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HN          111 GLU  HA          3.00    (#   3248:20        Unique  2.70, 2.71 A)
 &rst
  ixpk= 3248, nxpk= 20, iat=1741,1743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  110 GLN  HE2-        111 GLU  HA          5.00    (#   3249:20        Unique  3.07, 4.12 A)
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1736,1737,
 &end
#
#  115 ASP  HN          111 GLU  HA          4.00    (#   3250:20        Unique  3.56, 3.69 A)
 &rst
  ixpk= 3250, nxpk= 20, iat=1795,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          111 GLU  HA          5.00    (#   3251:20        Unique  5.55, 6.11 A)
 &rst
  ixpk= 3251, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#  111 GLU  HB+         111 GLU  HA          3.00    (#   3252:20        Unique  2.50, 2.78 A)
 &rst
  ixpk= 3252, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#  111 GLU  HG+         111 GLU  HA          3.00    (#   3253:20        Unique  2.51, 3.16 A)
 &rst
  ixpk= 3253, nxpk= 20, iat=  -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1748,1749,
 &end
#
#  111 GLU  HN          111 GLU  HG+         3.00    (#   3254:20        Unique  2.11, 2.90 A)
 &rst
  ixpk= 3254, nxpk= 20, iat=1741,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1748,1749,
 &end
#
#  113 ILE  HN          112 ALA  HA          4.00    (#   3257:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 3257, nxpk= 20, iat=1766,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HB+         112 ALA  HA          4.00    (#   3259:20        Unique  2.25, 3.32 A)
 &rst
  ixpk= 3259, nxpk= 20, iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1799,1800,
 &end
#
#    0 AMB  20-2:3260   112 ALA  MB          6.00    (#   3260:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1748,1749,1731,1732,
 igr2=1760,1761,1762,
 &end
#
#    0 AMB  20-2:3261   121 ALA  MB          4.00    (#   3261:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 igr2=1918,1919,1920,
 &end
#
#  116 TRP  HN          113 ILE  HA          4.00    (#   3262:20        Unique  3.68, 3.81 A)
 &rst
  ixpk= 3262, nxpk= 20, iat=1807,1768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  114 ALA  HN          113 ILE  HA          4.50    (#   3263:20        Unique  3.57, 3.57 A)
 &rst
  ixpk= 3263, nxpk= 20, iat=1785,1768, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 ALA  MB          113 ILE  HA          5.00    (#   3264:20        Unique  3.74, 4.70 A)
 &rst
  ixpk= 3264, nxpk= 20, iat=  -1,1768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  20-2:3268   113 ILE  HG1-        3.50    (#   3268:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1770, 645,
 igr2=1776,1777,
 &end
#
#    0 AMB  20-2:3269   113 ILE  QD1         4.00    (#   3269:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1731,1732,1731,1732, 588,
 igr2=1779,1780,1781,
 &end
#
#  102 ALA  HN          113 ILE  QG2         5.50    (#   3270:20        Unique  2.83, 4.88 A)
 &rst
  ixpk= 3270, nxpk= 20, iat=1617,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1772,1773,1774,
 &end
#
#  110 GLN  HE2-        113 ILE  QG2         5.50    (#   3271:20        Unique  2.45, 4.87 A)
 &rst
  ixpk= 3271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1736,1737,
 igr2=1772,1773,1774,
 &end
#
#  115 ASP  HN          114 ALA  MB          4.00    (#   3272:20        Unique  2.42, 3.17 A)
 &rst
  ixpk= 3272, nxpk= 20, iat=1795,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1789,1790,1791,
 &end
#
#  118 TYR  HD          114 ALA  MB          5.00    (#   3274:20        Unique  4.03, 6.03 A)
 &rst
  ixpk= 3274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1858,1867,
 igr2=1789,1790,1791,
 &end
#
#  118 TYR  HD          115 ASP  HB+         6.00    (#   3276:20        Unique  4.27, 6.36 A)
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1858,1867,
 igr2=1799,1800,
 &end
#
#  112 ALA  HA          115 ASP  HB+         4.00    (#   3277:20        Unique  2.25, 3.32 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=1758,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1799,1800,
 &end
#
#    0 AMB  20-2:3278     0 AMB  20-1:3278   5.00    (#   3278:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 231, 232, 233,1789,1790,1791,
 igr2=1799,1800,1799,1800,
 &end
#
#    0 AMB  20-2:3279     0 AMB  20-1:3279   6.00    (#   3279:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 228, 229,1760,1761,1762,
 igr2=1799,1800,1799,1800,
 &end
#
#   18 ILE  QD1         115 ASP  HB+         7.00    (#   3280:20        Unique  3.65, 5.73 A)
 &rst
  ixpk= 3280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 294, 295, 296,
 igr2=1799,1800,
 &end
#
#  116 TRP  HN          116 TRP  HA          3.50    (#   3281:20        Unique  2.79, 2.82 A)
 &rst
  ixpk= 3281, nxpk= 20, iat=1807,1809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3282   116 TRP  HA          4.00    (#   3282:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3282, nxpk= 20, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1871,1850,
 &end
#
#  116 TRP  HB-         116 TRP  HA          3.00    (#   3283:20        Unique  2.26, 2.65 A)
 &rst
  ixpk= 3283, nxpk= 20, iat=  -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#    0 AMB  20-2:3284   116 TRP  HB-         6.00    (#   3284:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1779,1780,1781,1959,1960,
 igr2=1811,1812,
 &end
#
#  117 LEU  HG          117 LEU  HA          3.80    (#   3285:20        Unique  2.56, 2.84 A)
 &rst
  ixpk= 3285, nxpk= 20, iat=1838,1833, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#    0 AMB  20-2:3286    36 LEU  HA          4.00    (#   3286:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3286, nxpk= 20, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1127,1128,1129,1548, 645,
 &end
#
#  118 TYR  HD          118 TYR  HA          4.50    (#   3287:20        Unique  2.02, 3.53 A)
 &rst
  ixpk= 3287, nxpk= 20, iat=  -1,1852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1858,1867,
 &end
#
#  118 TYR  HD          118 TYR  HB+         3.50    (#   3288:20        Unique  2.32, 3.07 A)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1858,1867,
 igr2=1854,1855,
 &end
#
#  123 GLY  HN          120 LEU  HA          4.50    (#   3289:20        Unique  3.36, 3.78 A)
 &rst
  ixpk= 3289, nxpk= 20, iat=1948,1897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  124 TYR  HN          120 LEU  HA          5.00    (#   3290:20        Unique  2.13, 2.51 A)
 &rst
  ixpk= 3290, nxpk= 20, iat=1955,1897, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  120 LEU  HA          120 LEU  MDX         3.00    (#   3291:20        Unique  2.02, 4.13 A)
 &rst
  ixpk= 3291, nxpk= 20, iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   40 LEU  MDY         112 ALA  MB          3.00    (#   3292:20        Unique  1.98, 4.34 A)
 &rst
  ixpk= 3292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 647, 648, 649, 651, 652, 653,
 igr2=1760,1761,1762,
 &end
#
#  124 TYR  HN          122 ARG  HA          6.00    (#   3293:20        Unique  5.01, 5.76 A)
 &rst
  ixpk= 3293, nxpk= 20, iat=1955,1926, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  122 ARG  HE          122 ARG  HA          4.70    (#   3294:20        Unique  2.12, 3.60 A)
 &rst
  ixpk= 3294, nxpk= 20, iat=1937,1926, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#    2 ALA  HA          122 ARG  HA          5.00    (#   3295:20        Unique  4.12, 4.64 A)
 &rst
  ixpk= 3295, nxpk= 20, iat=  23,1926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  122 ARG  HN          122 ARG  HG-         5.00    (#   3297:20        Unique  3.40, 4.36 A)
 &rst
  ixpk= 3297, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1931,1932,
 &end
#
#  122 ARG  HN          122 ARG  HG+         5.00    (#   3298:20        Unique  3.40, 4.36 A)
 &rst
  ixpk= 3298, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1931,1932,
 &end
#
#  122 ARG  HN          123 GLY  HA-         6.00    (#   3299:20        Unique  4.85, 5.15 A)
 &rst
  ixpk= 3299, nxpk= 20, iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1950,1951,
 &end
#
#    0 AMB  20-2:3301   124 TYR  HA          5.00    (#   3301:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1986,1987,1980,1981,
 &end
#
#    0 AMB  20-2:3304     0 AMB  20-1:3304   6.00    (#   3304:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=1959,1960, 464, 465, 466,
 igr2=2002,2003,2002,2003,
 &end
#
#    0 AMB  20-2:3305     0 AMB  20-1:3305   6.00    (#   3305:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1980,1981,1986,1987,
 igr2=2002,2003,2002,2003,
 &end
#
#    0 AMB  20-2:3306     0 AMB  20-1:3306   5.00    (#   3306:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1=1980,1981,1211,1212,
 igr2=2002,2003,2002,2003,
 &end
#
#   25 LYS  HE+          25 LYS  HB+         4.00    (#   3307:20        Unique  1.95, 3.92 A)
 &rst
  ixpk= 3307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 397, 398,
 igr2= 388, 389,
 &end
#
#  119 TRP  HB-           2 ALA  MB          7.20    (#   3308:20        Unique  2.78, 5.26 A)
 &rst
  ixpk= 3308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1875,1876,
 igr2=  25,  26,  27,
 &end
#
#    0 AMB  20-2:3309     4 VAL  HA          5.00    (#   3309:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3309, nxpk= 20, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  25,  26,  27,1918,1919,1920,
 &end
#
#    0 AMB  20-2:3310   121 ALA  MB          4.00    (#   3310:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 igr2=1918,1919,1920,
 &end
#
#   23 GLU  HN           27 GLU  HB+         4.00    (#   3311:20        Unique  2.72, 3.18 A)
 &rst
  ixpk= 3311, nxpk= 20, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 425, 426,
 &end
#
#   18 ILE  QD1          14 ILE  HB          6.00    (#   3313:20        Unique  4.06, 5.22 A)
 &rst
  ixpk= 3313, nxpk= 20, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 &end
#
#   41 GLU  HA           41 GLU  HG+         4.00    (#   3316:20        Unique  3.55, 3.75 A)
 &rst
  ixpk= 3316, nxpk= 20, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 664, 665,
 &end
#
#   35 TYR  HB+          18 ILE  HA          6.00    (#   3317:20        Unique  3.29, 4.05 A)
 &rst
  ixpk= 3317, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 564, 565,
 &end
#
#   35 TYR  HB-          18 ILE  HA          6.00    (#   3318:20        Unique  3.29, 4.05 A)
 &rst
  ixpk= 3318, nxpk= 20, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 564, 565,
 &end
#
#  122 ARG  HD+         122 ARG  HG+         3.50    (#   3320:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 3320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1934,1935,
 igr2=1931,1932,
 &end
#
#  122 ARG  HD+         122 ARG  HG-         3.50    (#   3321:20        Unique  2.22, 2.69 A)
 &rst
  ixpk= 3321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1934,1935,
 igr2=1931,1932,
 &end
#
#   25 LYS  HE+          25 LYS  HA          4.20    (#   3322:20        Unique  3.84, 4.69 A)
 &rst
  ixpk= 3322, nxpk= 20, iat=  -1, 386, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 397, 398,
 &end
#
#    6 ARG  HB-           6 ARG  HD-         3.00    (#   3324:20        Unique  2.08, 3.34 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  77,  78,
 igr2=  83,  84,
 &end
#
#    0 AMB  20-2:3326     0 AMB  20-1:3326   3.00    (#   3326:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 877, 878, 981, 982,
 igr2= 883, 884, 883, 884,
 &end
#
#   61 LYS  HB+          61 LYS  HE+         3.50    (#   3327:20        Unique  2.29, 2.82 A)
 &rst
  ixpk= 3327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1011,1012,
 igr2=1020,1021,
 &end
#
#  108 ASP  HN          107 ASP  HB-         3.00    (#   3328:20        Unique  2.30, 2.96 A)
 &rst
  ixpk= 3328, nxpk= 20, iat=1698,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1690,1691,
 &end
#
#   52 SER  HB+          51 LYS  HG+         7.00    (#   3331:20        Unique  4.62, 6.51 A)
 &rst
  ixpk= 3331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 866, 867,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:3332     0 AMB  20-1:3332   4.00    (#   3332:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=  46,1838,1728,1729,
 igr2=1918,1919,1920,1760,1761,1762,
 &end
#
#   36 LEU  HN           36 LEU  HB+         3.50    (#   3333:20        Unique  2.07, 2.54 A)
 &rst
  ixpk= 3333, nxpk= 20, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 585, 586,
 &end
#
#   45 MET  HB-         103 ILE  QG2         4.00    (#   3334:20        Unique  4.23, 5.59 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 730, 731,
 igr2=1633,1634,1635,
 &end
#
#   45 MET  HN          103 ILE  QG2         6.00    (#   3336:20        Unique  4.60, 6.24 A)
 &rst
  ixpk= 3336, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1633,1634,1635,
 &end
#
#   19 ILE  QD1          18 ILE  QG2         6.00    (#   3337:20        Unique  2.08, 5.04 A)
 &rst
  ixpk= 3337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 313, 314, 315,
 igr2= 287, 288, 289,
 &end
#
#   92 VAL  HA           92 VAL  HB          3.00    (#   3338:20        Unique  2.23, 2.39 A)
 &rst
  ixpk= 3338, nxpk= 20, iat=1460,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:3339     0 AMB  20-1:3339   4.00    (#   3339:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 842, 935,
 igr2= 850, 851, 850, 851,
 &end
#
#   96 LYS  HA           96 LYS  HG-         4.00    (#   3340:20        Unique  2.43, 3.28 A)
 &rst
  ixpk= 3340, nxpk= 20, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1526,1527,
 &end
#
#   48 TRP  HD1          48 TRP  HB+         4.00    (#   3341:20        Unique  3.14, 3.56 A)
 &rst
  ixpk= 3341, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   48 TRP  HD1          48 TRP  HB-         4.00    (#   3342:20        Unique  3.14, 3.56 A)
 &rst
  ixpk= 3342, nxpk= 20, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 776, 777,
 &end
#
#   84 ASP  HA           84 ASP  HB-         3.00    (#   3343:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 3343, nxpk= 20, iat=1357,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1359,1360,
 &end
#
#   91 ASP  HA           91 ASP  HB+         3.00    (#   3344:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3344, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1450,1451,
 &end
#
#   91 ASP  HA           91 ASP  HB-         3.00    (#   3345:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3345, nxpk= 20, iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1450,1451,
 &end
#
#   76 LYS  HN           75 LEU  HB-         4.50    (#   3346:20        Unique  3.31, 3.91 A)
 &rst
  ixpk= 3346, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1211,1212,
 &end
#
#   76 LYS  HN           75 LEU  HB+         4.50    (#   3347:20        Unique  3.31, 3.91 A)
 &rst
  ixpk= 3347, nxpk= 20, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1211,1212,
 &end
#
#   19 ILE  HB           18 ILE  QG2         6.50    (#   3349:20        Unique  4.54, 5.95 A)
 &rst
  ixpk= 3349, nxpk= 20, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2= 287, 288, 289,
 &end
#
#  118 TYR  HD           14 ILE  QD1         5.50    (#   3352:20        Unique  5.00, 7.83 A)
 &rst
  ixpk= 3352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1858,1867,
 igr2= 231, 232, 233,
 &end
#
#    0 AMB  20-2:3353     0 AMB  20-1:3353   3.00    (#   3353:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 585, 586,1760,1761,1762,
 igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#    0 AMB  20-2:3354    62 THR  HB          4.00    (#   3354:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1049,1050,1051,1053,1054,1055,1373,1374,1375,
 &end
#
#   85 ILE  QG2          64 GLU  HB-         4.20    (#   3355:20        Unique  2.06, 3.00 A)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1373,1374,1375,
 igr2=1063,1064,
 &end
#
#   85 ILE  QD1          85 ILE  HG1+        3.00    (#   3356:20        Unique  2.20, 2.62 A)
 &rst
  ixpk= 3356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1380,1381,1382,
 igr2=1377,1378,
 &end
#
#  122 ARG  HG+         122 ARG  HA          3.20    (#   3357:20        Unique  2.06, 3.08 A)
 &rst
  ixpk= 3357, nxpk= 20, iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1931,1932,
 &end
#
#   59 GLU  HB-          59 GLU  HA          3.00    (#   3358:20        Unique  2.57, 2.82 A)
 &rst
  ixpk= 3358, nxpk= 20, iat=  -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 981, 982,
 &end
#
#    4 VAL  MGX           4 VAL  HB          3.00    (#   3359:20        Unique  2.24, 2.63 A)
 &rst
  ixpk= 3359, nxpk= 20, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   98 SER  HA          120 LEU  MDY         4.00    (#   3360:20        Unique  2.27, 4.16 A)
 &rst
  ixpk= 3360, nxpk= 20, iat=1562,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1904,1905,1906,1908,1909,1910,
 &end
#
#   18 ILE  QG2          14 ILE  HA          7.00    (#   3361:20        Unique  4.89, 5.80 A)
 &rst
  ixpk= 3361, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   76 LYS  HN           73 GLU  HA          6.00    (#   3362:20        Unique  6.10, 6.29 A)
 &rst
  ixpk= 3362, nxpk= 20, iat=1226,1183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 THR  HN            7 ASP  HA          5.00    (#   3363:20        Unique  3.89, 4.13 A)
 &rst
  ixpk= 3363, nxpk= 20, iat= 124,  99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   10 ARG  HN            7 ASP  HA          6.20    (#   3364:20        Unique  5.30, 5.93 A)
 &rst
  ixpk= 3364, nxpk= 20, iat= 138,  99, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#   84 ASP  HB+          84 ASP  HA          3.00    (#   3365:20        Unique  2.24, 2.64 A)
 &rst
  ixpk= 3365, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   63 VAL  HA           84 ASP  HA          3.00    (#   3366:20        Unique  2.51, 2.86 A)
 &rst
  ixpk= 3366, nxpk= 20, iat=1045,1357, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  MGY          84 ASP  HA          4.50    (#   3367:20        Unique  1.75, 4.20 A)
 &rst
  ixpk= 3367, nxpk= 20, iat=  -1,1357, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   46 GLY  HN           46 GLY  HA-         3.00    (#   3368:20        Unique  2.58, 2.77 A)
 &rst
  ixpk= 3368, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 745, 746,
 &end
#
#   91 ASP  HB-          91 ASP  HA          3.00    (#   3369:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3369, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1450,1451,
 &end
#
#   91 ASP  HB+          91 ASP  HA          3.00    (#   3370:20        Unique  2.49, 2.79 A)
 &rst
  ixpk= 3370, nxpk= 20, iat=  -1,1448, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1450,1451,
 &end
#
#   90 ASP  HA           90 ASP  HB+         3.00    (#   3371:20        Unique  2.47, 2.77 A)
 &rst
  ixpk= 3371, nxpk= 20, iat=1436,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1438,1439,
 &end
#
#   11 GLU  HN           10 ARG  HA          4.20    (#   3372:20        Unique  3.56, 3.57 A)
 &rst
  ixpk= 3372, nxpk= 20, iat= 162, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   68 MET  HN           68 MET  HG+         4.00    (#   3373:20        Unique  1.69, 4.06 A)
 &rst
  ixpk= 3373, nxpk= 20, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1123,1124,
 &end
#
#  116 TRP  HE1          98 SER  HB+         5.50    (#   3374:20        Unique  3.53, 4.81 A)
 &rst
  ixpk= 3374, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1564,1565,
 &end
#
#  116 TRP  HE1          98 SER  HB-         5.00    (#   3375:20        Unique  3.53, 4.81 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=1817,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1564,1565,
 &end
#
#   48 TRP  HA          100 ILE  HG1-        4.00    (#   3376:20        Unique  1.84, 2.79 A)
 &rst
  ixpk= 3376, nxpk= 20, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  101 GLU  HN          100 ILE  HG1+        4.00    (#   3377:20        Unique  1.82, 2.87 A)
 &rst
  ixpk= 3377, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#  101 GLU  HN          100 ILE  HG1-        4.00    (#   3378:20        Unique  1.82, 2.87 A)
 &rst
  ixpk= 3378, nxpk= 20, iat=1602,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1593,1594,
 &end
#
#    0 AMB  20-2:3379   100 ILE  HG1-        5.50    (#   3379:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 796,1007,
 igr2=1593,1594,
 &end
#
#    0 AMB  20-2:3380     0 AMB  20-1:3380   5.50    (#   3380:20        Double  0.00, 0.00  )
 &rst
  ixpk= 3380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 796,1007,
 igr2=1593,1594,1593,1594,
 &end
#
#    0 AMB  20-2:3381   100 ILE  QG2         6.00    (#   3381:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 772,1074,
 igr2=1589,1590,1591,
 &end
#
#   44 PHE  HE          102 ALA  HA          5.00    (#   3382:20        Unique  1.86, 4.68 A)
 &rst
  ixpk= 3382, nxpk= 20, iat=  -1,1619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 720,
 &end
#
#   50 LYS  HN           58 ILE  HA          5.00    (#   3383:20        Unique  4.16, 4.47 A)
 &rst
  ixpk= 3383, nxpk= 20, iat= 818, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 VAL  MGY          42 PHE  HB+         5.00    (#   3384:20        Unique  2.07, 5.01 A)
 &rst
  ixpk= 3384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1080,1081,1082,1084,1085,1086,
 igr2= 676, 677,
 &end
#
#  105 VAL  MGX         104 ASP  HB+         6.50    (#   3385:20        Unique  4.17, 6.26 A)
 &rst
  ixpk= 3385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1650,1651,
 &end
#
#    0 AMB  20-2:3386   105 VAL  MGY         6.00    (#   3386:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1617, 750,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  20-2:3387   105 VAL  MGY         4.00    (#   3387:20        Single  0.00, 0.00  )
 &rst
  ixpk= 3387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1619,1676,
 igr2=1664,1665,1666,1668,1669,1670,
 &end
#
#  112 ALA  HN          112 ALA  HA          3.00    (#   3388:20        Unique  2.75, 2.77 A)
 &rst
  ixpk= 3388, nxpk= 20, iat=1756,1758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HN          109 THR  HA          5.50    (#   3389:20        Unique  4.87, 5.04 A)
 &rst
  ixpk= 3389, nxpk= 20, iat=1741,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 ILE  HN          110 GLN  HA          4.00    (#   3390:20        Unique  3.55, 3.67 A)
 &rst
  ixpk= 3390, nxpk= 20, iat=1766,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HN          114 ALA  HA          4.00    (#   3391:20        Unique  3.52, 3.56 A)
 &rst
  ixpk= 3391, nxpk= 20, iat=1795,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ARG  HE           13 ARG  HG-         4.00    (#   3392:20        Unique  2.26, 2.89 A)
 &rst
  ixpk= 3392, nxpk= 20, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   13 ARG  HE           13 ARG  HG+         4.00    (#   3393:20        Unique  2.26, 2.89 A)
 &rst
  ixpk= 3393, nxpk= 20, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 201, 202,
 &end
#
#   18 ILE  QD1          13 ARG  HG-         8.50    (#   3394:20        Unique  7.97, 9.81 A)
 &rst
  ixpk= 3394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.46, r4=11.96,
 igr1= 294, 295, 296,
 igr2= 201, 202,
 &end
#
#   18 ILE  QD1          13 ARG  HG+         8.50    (#   3396:20        Unique  7.97, 9.81 A)
 &rst
  ixpk= 3396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.46, r4=11.96,
 igr1= 294, 295, 296,
 igr2= 201, 202,
 &end
#
#   77 ASP  HN           75 LEU  MDY         7.00    (#   3397:20        Unique  6.94, 7.72 A)
 &rst
  ixpk= 3397, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1216,1217,1218,1220,1221,1222,
 &end
#
#  119 TRP  HE1         120 LEU  HA          5.20    (#   3398:20        Unique  3.51, 3.80 A)
 &rst
  ixpk= 3398, nxpk= 20, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
# 2017 atoms read from pdb file prm1.pdb.


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