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
492099 2k2v cing 1-original 7 AMBER distance NOE ambi


#
#  126 PHE  HN          119 TRP  HE1         5.00    (#      1:10        Unique  5.00, 5.13 A)
 &rst
  ixpk= 1, nxpk= 10, iat=1998,1881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#    0 AMB  10-2:2      119 TRP  HE1         4.60    (#      2:10        Single  0.00, 0.00  )
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=2006,2014, 507,
 &end
#
#  119 TRP  HZ2         119 TRP  HE1         3.00    (#      4:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 4, nxpk= 10, iat=1884,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HE          119 TRP  HE1         4.00    (#      5:10        Unique  2.05, 5.02 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1965,1970,
 &end
#
#  119 TRP  HD1         119 TRP  HE1         3.00    (#      6:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 6, nxpk= 10, iat=1879,1881, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:9      119 TRP  HE1         5.00    (#      9:10        Single  0.00, 0.00  )
 &rst
  ixpk= 9, nxpk= 10, iat=  -1,1881, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  102 ALA  HA          102 ALA  HN          3.50    (#     14:10        Unique  2.74, 2.85 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1619,1617, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 GLU  HG+         102 ALA  HN          4.00    (#     15:10        Unique  1.90, 3.62 A)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1609,1610,
 &end
#
#  101 GLU  HB+         102 ALA  HN          4.80    (#     16:10        Unique  3.19, 4.00 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1606,1607,
 &end
#
#  101 GLU  HB-         102 ALA  HN          4.00    (#     17:10        Unique  3.19, 4.00 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1606,1607,
 &end
#
#  102 ALA  MB          102 ALA  HN          3.00    (#     18:10        Unique  2.26, 2.98 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1621,1622,1623,
 &end
#
#  113 ILE  QG2         102 ALA  HN          5.00    (#     19:10        Unique  2.83, 4.88 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1772,1773,1774,
 &end
#
#  113 ILE  QD1         102 ALA  HN          5.00    (#     20:10        Unique  3.48, 4.73 A)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1779,1780,1781,
 &end
#
#   96 LYS  HN           48 TRP  HE1         4.00    (#     21:10        Unique  4.85, 5.02 A)
 &rst
  ixpk= 21, nxpk= 10, iat=1519, 782, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HZ2          48 TRP  HE1         3.00    (#     22:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 22, nxpk= 10, iat= 785, 782, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HD1          48 TRP  HE1         3.00    (#     23:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 780, 782, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 ASP  HB+          48 TRP  HE1         3.50    (#     25:10        Unique  2.11, 2.82 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          48 TRP  HE1         3.50    (#     26:10        Unique  2.11, 2.82 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#    0 AMB  10-2:27      48 TRP  HE1         6.50    (#     27:10        Single  0.00, 0.00  )
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1596,1597,1598,1513,1514,1515,
 &end
#
#   48 TRP  HD1          49 LYS  HN          3.00    (#     30:10        Unique  2.77, 2.92 A)
 &rst
  ixpk= 30, nxpk= 10, iat= 780, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HA           49 LYS  HN          3.00    (#     31:10        Unique  2.20, 2.21 A)
 &rst
  ixpk= 31, nxpk= 10, iat= 774, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HA           49 LYS  HN          3.00    (#     32:10        Unique  2.30, 2.53 A)
 &rst
  ixpk= 32, nxpk= 10, iat=1585, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   49 LYS  HA           49 LYS  HN          3.50    (#     33:10        Unique  2.83, 2.84 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 798, 796, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HB+          49 LYS  HN          5.50    (#     34:10        Unique  3.80, 5.04 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          49 LYS  HN          4.00    (#     35:10        Unique  3.80, 5.04 A)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1575,1576,
 &end
#
#   48 TRP  HB-          49 LYS  HN          5.00    (#     36:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#   49 LYS  HB+          49 LYS  HN          3.00    (#     37:10        Unique  2.73, 3.17 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 800, 801,
 &end
#
#   49 LYS  HB-          49 LYS  HN          3.80    (#     38:10        Unique  2.73, 3.17 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 800, 801,
 &end
#
#   49 LYS  HG+          49 LYS  HN          4.00    (#     39:10        Unique  1.60, 2.62 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 803, 804,
 &end
#
#   49 LYS  HG-          49 LYS  HN          3.00    (#     40:10        Unique  1.60, 2.62 A)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 803, 804,
 &end
#
#    0 AMB  10-2:41      49 LYS  HN          5.00    (#     41:10        Single  0.00, 0.00  )
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 964, 965, 966,1589,1590,1591, 822, 823,
 &end
#
#  100 ILE  QD1          49 LYS  HN          4.00    (#     42:10        Unique  3.84, 5.80 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#   48 TRP  HB+          49 LYS  HN          5.00    (#     43:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 776, 777,
 &end
#
#   80 VAL  HN           95 ALA  HN          5.00    (#     44:10        Unique  1.98, 2.28 A)
 &rst
  ixpk= 44, nxpk= 10, iat=1298,1509, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 VAL  HN           95 ALA  HN          6.00    (#     46:10        Unique  3.64, 4.07 A)
 &rst
  ixpk= 46, nxpk= 10, iat=1329,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:47      95 ALA  HN          6.00    (#     47:10        Single  0.00, 0.00  )
 &rst
  ixpk= 47, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1495,1314,
 &end
#
#   79 TYR  HD           95 ALA  HN          6.50    (#     48:10        Unique  3.36, 4.97 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1285,1294,
 &end
#
#   94 THR  HA           95 ALA  HN          4.50    (#     49:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 49, nxpk= 10, iat=1497,1509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLU  HA           95 ALA  HN          6.00    (#     50:10        Unique  3.65, 3.97 A)
 &rst
  ixpk= 50, nxpk= 10, iat=1316,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 ALA  HA           95 ALA  HN          5.50    (#     51:10        Unique  2.67, 2.73 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1511,1509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 THR  HB           95 ALA  HN          6.00    (#     52:10        Unique  3.92, 4.03 A)
 &rst
  ixpk= 52, nxpk= 10, iat=1499,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 VAL  MGX          95 ALA  HN          6.00    (#     54:10        Unique  2.71, 4.84 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   95 ALA  MB           95 ALA  HN          5.50    (#     55:10        Unique  3.14, 3.69 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1513,1514,1515,
 &end
#
#   82 VAL  MGX          95 ALA  HN          6.50    (#     56:10        Unique  3.64, 5.60 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   50 LYS  HN           59 GLU  HN          4.00    (#     59:10        Unique  2.98, 3.32 A)
 &rst
  ixpk= 59, nxpk= 10, iat= 818, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 GLU  HG-          59 GLU  HN          4.20    (#     61:10        Unique  3.11, 3.60 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 984, 985,
 &end
#
#   58 ILE  HG1-         59 GLU  HN          5.00    (#     62:10        Unique  4.12, 4.97 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 968, 969,
 &end
#
#    0 AMB  10-2:63      59 GLU  HN          4.00    (#     63:10        Single  0.00, 0.00  )
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 822, 823, 964, 965, 966,
 &end
#
#   59 GLU  HA           59 GLU  HN          3.50    (#     65:10        Unique  2.89, 2.92 A)
 &rst
  ixpk= 65, nxpk= 10, iat= 979, 977, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ILE  HA           59 GLU  HN          2.80    (#     66:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 66, nxpk= 10, iat= 960, 977, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 GLU  HG+          59 GLU  HN          4.50    (#     67:10        Unique  3.11, 3.60 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 984, 985,
 &end
#
#    0 AMB  10-2:68      59 GLU  HN          5.00    (#     68:10        Single  0.00, 0.00  )
 &rst
  ixpk= 68, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 844, 845, 962,
 &end
#
#   50 LYS  HB+          59 GLU  HN          4.50    (#     69:10        Unique  2.61, 3.62 A)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 822, 823,
 &end
#
#    0 AMB  10-2:70      59 GLU  HN          5.00    (#     70:10        Single  0.00, 0.00  )
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 968, 969, 828, 829,
 &end
#
#    0 AMB  10-2:73     101 GLU  HN          4.80    (#     73:10        Single  0.00, 0.00  )
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1587,1609,1610,
 &end
#
#   47 LYS  HB-         101 GLU  HN          4.00    (#     74:10        Unique  3.22, 3.66 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 754, 755,
 &end
#
#  100 ILE  QD1         101 GLU  HN          4.00    (#     75:10        Unique  2.18, 4.23 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1596,1597,1598,
 &end
#
#  100 ILE  HN          101 GLU  HN          5.00    (#     76:10        Unique  4.39, 4.41 A)
 &rst
  ixpk= 76, nxpk= 10, iat=1583,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HA          101 GLU  HN          4.00    (#     77:10        Unique  3.28, 3.44 A)
 &rst
  ixpk= 77, nxpk= 10, iat= 774,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 ILE  HA          101 GLU  HN          3.00    (#     78:10        Unique  2.35, 2.37 A)
 &rst
  ixpk= 78, nxpk= 10, iat=1585,1602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  101 GLU  HB+         101 GLU  HN          3.00    (#     79:10        Unique  2.55, 2.84 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1606,1607,
 &end
#
#  101 GLU  HB-         101 GLU  HN          3.00    (#     80:10        Unique  2.55, 2.84 A)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1606,1607,
 &end
#
#   47 LYS  HB+         101 GLU  HN          4.50    (#     81:10        Unique  3.22, 3.66 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 754, 755,
 &end
#
#  100 ILE  HG1-        101 GLU  HN          4.00    (#     82:10        Unique  1.82, 2.87 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#  100 ILE  QG2         101 GLU  HN          3.00    (#     83:10        Unique  2.41, 3.52 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1589,1590,1591,
 &end
#
#   65 VAL  HA           65 VAL  HN          3.50    (#     85:10        Unique  2.83, 2.85 A)
 &rst
  ixpk= 85, nxpk= 10, iat=1076,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 VAL  HB           65 VAL  HN          4.00    (#     86:10        Unique  2.32, 2.50 A)
 &rst
  ixpk= 86, nxpk= 10, iat=1078,1074, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PHE  HN           65 VAL  HN          3.50    (#     87:10        Unique  2.61, 2.89 A)
 &rst
  ixpk= 87, nxpk= 10, iat= 706,1074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HA           65 VAL  HN          3.00    (#     88:10        Unique  2.38, 2.58 A)
 &rst
  ixpk= 88, nxpk= 10, iat= 728,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:89      65 VAL  HN          4.00    (#     89:10        Single  0.00, 0.00  )
 &rst
  ixpk= 89, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1066,1067, 730, 731,
 &end
#
#    0 AMB  10-2:90       0 AMB  10-1:90     3.00    (#     90:10        Double  0.00, 0.00  )
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1066,1067,1011,1012,
 igr2=1074, 772,
 &end
#
#    0 AMB  10-2:91       0 AMB  10-1:91     4.00    (#     91:10        Double  0.00, 0.00  )
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 760, 761, 754, 755,1063,1064,
 igr2= 772,1074,
 &end
#
#    0 AMB  10-2:92      65 VAL  HN          4.00    (#     92:10        Single  0.00, 0.00  )
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1099,1100,1101,1103,1104,1105,1664,1665,1666,1668,
      1669,1670,
 &end
#
#    0 AMB  10-2:94      65 VAL  HN          3.00    (#     94:10        Single  0.00, 0.00  )
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#  100 ILE  QD1          48 TRP  HN          5.00    (#     95:10        Unique  2.53, 4.20 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#    0 AMB  10-2:96       0 AMB  10-1:96     4.00    (#     96:10        Double  0.00, 0.00  )
 &rst
  ixpk= 96, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1043, 743,
 igr2= 772,1074,
 &end
#
#    0 AMB  10-2:97       0 AMB  10-1:97     5.00    (#     97:10        Double  0.00, 0.00  )
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1059,1029,1345,
 igr2=1074, 772,
 &end
#
#    0 AMB  10-2:98      48 TRP  HN          3.50    (#     98:10        Single  0.00, 0.00  )
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1007, 796,
 &end
#
#    0 AMB  10-2:99       0 AMB  10-1:99     5.00    (#     99:10        Double  0.00, 0.00  )
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 780, 680, 688,
 igr2= 772,1074,
 &end
#
#   48 TRP  HA           48 TRP  HN          3.50    (#    100:10        Unique  2.84, 2.85 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 774, 772, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:101     48 TRP  HN          4.00    (#    101:10        Single  0.00, 0.00  )
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1031, 994,
 &end
#
#   48 TRP  HB+          48 TRP  HN          3.00    (#    102:10        Unique  2.33, 2.55 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#   48 TRP  HB-          48 TRP  HN          3.00    (#    103:10        Unique  2.33, 2.55 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 776, 777,
 &end
#
#    0 AMB  10-2:104     48 TRP  HN          4.00    (#    104:10        Single  0.00, 0.00  )
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1593,1594, 757, 758,
 &end
#
#   63 VAL  MGY           0 AMB  10-1:105    4.00    (#    105:10        Single  0.00, 0.00  )
 &rst
  ixpk= 105, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1049,1050,1051,1053,1054,1055,
 igr2= 772,1074,
 &end
#
#   47 LYS  HA           48 TRP  HN          2.80    (#    106:10        Unique  2.16, 2.17 A)
 &rst
  ixpk= 106, nxpk= 10, iat= 752, 772, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 LYS  HB+          48 TRP  HN          5.00    (#    107:10        Unique  3.92, 4.33 A)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 772, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 754, 755,
 &end
#
#  119 TRP  HE1         126 PHE  HN          5.00    (#    109:10        Unique  5.00, 5.13 A)
 &rst
  ixpk= 109, nxpk= 10, iat=1881,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 LYS  HN          126 PHE  HN          3.00    (#    110:10        Unique  1.70, 2.38 A)
 &rst
  ixpk= 110, nxpk= 10, iat=1976,1998, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  126 PHE  HD          126 PHE  HN          4.00    (#    111:10        Unique  2.25, 4.43 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2006,2014,
 &end
#
#    0 AMB  10-2:112    126 PHE  HN          4.00    (#    112:10        Single  0.00, 0.00  )
 &rst
  ixpk= 112, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1884,2008,2012,
 &end
#
#  126 PHE  HB-         126 PHE  HN          4.00    (#    114:10        Unique  2.66, 3.35 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#  126 PHE  HB+         126 PHE  HN          4.00    (#    115:10        Unique  2.66, 3.35 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=2002,2003,
 &end
#
#  125 LYS  HB+         126 PHE  HN          3.70    (#    116:10        Unique  2.73, 4.10 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1980,1981,
 &end
#
#    0 AMB  10-2:117    126 PHE  HN          4.50    (#    117:10        Single  0.00, 0.00  )
 &rst
  ixpk= 117, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1980,1981,1986,1987,
 &end
#
#  125 LYS  HG+         126 PHE  HN          4.30    (#    118:10        Unique  2.13, 4.90 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1983,1984,
 &end
#
#   51 LYS  HB-          51 LYS  HN          3.50    (#    120:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#   51 LYS  HA           51 LYS  HN          3.50    (#    123:10        Unique  2.78, 2.91 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 842, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 LYS  HA           51 LYS  HN          3.00    (#    124:10        Unique  2.16, 2.37 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 820, 840, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 LYS  HB+          51 LYS  HN          3.50    (#    125:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 844, 845,
 &end
#
#    0 AMB  10-2:126     51 LYS  HN          4.50    (#    126:10        Single  0.00, 0.00  )
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823, 847, 848,
 &end
#
#   50 LYS  HG+          51 LYS  HN          3.20    (#    127:10        Unique  1.92, 2.60 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 825, 826,
 &end
#
#    7 ASP  HA            7 ASP  HN          3.50    (#    131:10        Unique  2.74, 2.83 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  99,  97, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 ARG  HA            7 ASP  HN          4.00    (#    132:10        Unique  3.44, 3.49 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  75,  97, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:133      7 ASP  HN          6.00    (#    133:10        Single  0.00, 0.00  )
 &rst
  ixpk= 133, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  65,  66,  65,  66,
 &end
#
#    6 ARG  HB+           7 ASP  HN          4.00    (#    134:10        Unique  3.49, 3.94 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  77,  78,
 &end
#
#    6 ARG  HG+           7 ASP  HN          4.40    (#    135:10        Unique  1.97, 3.10 A)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  80,  81,
 &end
#
#   78 MET  HB-         116 TRP  HE1         4.00    (#    137:10        Unique  2.21, 4.79 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1264,1265,
 &end
#
#   98 SER  HN          116 TRP  HE1         4.50    (#    139:10        Unique  3.15, 3.98 A)
 &rst
  ixpk= 139, nxpk= 10, iat=1560,1817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HZ2         116 TRP  HE1         3.50    (#    140:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 140, nxpk= 10, iat=1820,1817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HD1         116 TRP  HE1         3.00    (#    141:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 141, nxpk= 10, iat=1815,1817, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:143    116 TRP  HE1         5.00    (#    143:10        Single  0.00, 0.00  )
 &rst
  ixpk= 143, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1564,1565,1833,
 &end
#
#    0 AMB  10-2:144    116 TRP  HE1         5.00    (#    144:10        Single  0.00, 0.00  )
 &rst
  ixpk= 144, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1548,1127,1128,1129,
 &end
#
#    0 AMB  10-2:145    116 TRP  HE1         4.00    (#    145:10        Single  0.00, 0.00  )
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1545,1546,1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  10-2:146    116 TRP  HE1         5.00    (#    146:10        Single  0.00, 0.00  )
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1817, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#    0 AMB  10-2:147    116 TRP  HE1         3.00    (#    147:10        Single  0.00, 0.00  )
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1817, 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
#
#    0 AMB  10-2:148     66 LEU  HN          5.00    (#    148:10        Single  0.00, 0.00  )
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1345,1059,
 &end
#
#   67 GLY  HN           66 LEU  HN          3.00    (#    149:10        Unique  2.00, 2.24 A)
 &rst
  ixpk= 149, nxpk= 10, iat=1109,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  HA           66 LEU  HN          3.80    (#    150:10        Unique  2.34, 3.09 A)
 &rst
  ixpk= 150, nxpk= 10, iat=1331,1090, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   66 LEU  HA           66 LEU  HN          3.50    (#    151:10        Unique  2.88, 2.92 A)
 &rst
  ixpk= 151, nxpk= 10, iat=1092,1090, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLU  HB+          66 LEU  HN          4.00    (#    152:10        Unique  3.36, 4.09 A)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1318,1319,
 &end
#
#   65 VAL  MGY          66 LEU  HN          4.00    (#    153:10        Unique  2.23, 4.12 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   65 VAL  HA           66 LEU  HN          3.00    (#    155:10        Unique  2.14, 2.18 A)
 &rst
  ixpk= 155, nxpk= 10, iat=1076,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LEU  HB-          66 LEU  HN          3.50    (#    156:10        Unique  2.22, 2.96 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#    0 AMB  10-2:157     66 LEU  HN          4.80    (#    157:10        Single  0.00, 0.00  )
 &rst
  ixpk= 157, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,
 &end
#
#    0 AMB  10-2:158     97 LEU  HN          4.00    (#    158:10        Single  0.00, 0.00  )
 &rst
  ixpk= 158, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1298,1519,
 &end
#
#   79 TYR  HA           97 LEU  HN          4.00    (#    160:10        Unique  3.04, 3.72 A)
 &rst
  ixpk= 160, nxpk= 10, iat=1279,1541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 LYS  HA           97 LEU  HN          4.00    (#    161:10        Unique  3.52, 3.54 A)
 &rst
  ixpk= 161, nxpk= 10, iat=1521,1541, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   96 LYS  HB+          97 LEU  HN          4.00    (#    162:10        Unique  1.89, 2.34 A)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#   96 LYS  HB-          97 LEU  HN          4.00    (#    163:10        Unique  1.89, 2.34 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#   97 LEU  HB+          97 LEU  HN          3.50    (#    164:10        Unique  2.20, 2.98 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1545,1546,
 &end
#
#   80 VAL  MGY          97 LEU  HN          5.00    (#    165:10        Unique  2.44, 4.34 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   97 LEU  MDY          97 LEU  HN          4.00    (#    166:10        Unique  1.86, 3.39 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1550,1551,1552,1554,1555,1556,
 &end
#
#   80 VAL  MGX          97 LEU  HN          4.00    (#    167:10        Unique  2.44, 4.34 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    1 MET  HA            2 ALA  HN          3.50    (#    169:10        Unique  2.14, 2.97 A)
 &rst
  ixpk= 169, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 ALA  MB            2 ALA  HN          4.00    (#    170:10        Unique  2.09, 3.23 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
#  122 ARG  HN          121 ALA  HN          3.50    (#    172:10        Unique  2.65, 2.88 A)
 &rst
  ixpk= 172, nxpk= 10, iat=1924,1914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 GLY  HN          121 ALA  HN          5.00    (#    173:10        Unique  3.92, 4.28 A)
 &rst
  ixpk= 173, nxpk= 10, iat=1948,1914, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  118 TYR  HA          121 ALA  HN          4.00    (#    174:10        Unique  3.18, 3.34 A)
 &rst
  ixpk= 174, nxpk= 10, iat=1852,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HA          121 ALA  HN          4.00    (#    175:10        Unique  3.52, 3.55 A)
 &rst
  ixpk= 175, nxpk= 10, iat=1897,1914, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 VAL  MGX         121 ALA  HN          5.00    (#    176:10        Unique  4.44, 6.12 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  120 LEU  HN          121 ALA  HN          3.00    (#    177:10        Unique  2.19, 2.31 A)
 &rst
  ixpk= 177, nxpk= 10, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  121 ALA  HA          121 ALA  HN          3.00    (#    179:10        Unique  2.72, 2.75 A)
 &rst
  ixpk= 179, nxpk= 10, iat=1916,1914, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:180    121 ALA  HN          5.00    (#    180:10        Single  0.00, 0.00  )
 &rst
  ixpk= 180, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1926,1875,1876,
 &end
#
#  120 LEU  HB+         121 ALA  HN          4.50    (#    181:10        Unique  2.49, 3.35 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1899,1900,
 &end
#
#  121 ALA  MB          121 ALA  HN          3.00    (#    182:10        Unique  2.26, 2.89 A)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1918,1919,1920,
 &end
#
#  120 LEU  HB-         121 ALA  HN          4.00    (#    183:10        Unique  2.49, 3.35 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1899,1900,
 &end
#
#    0 AMB  10-2:184    121 ALA  HN          4.00    (#    184:10        Single  0.00, 0.00  )
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,1914, 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
#
#   82 VAL  HN           93 TYR  HN          5.00    (#    185:10        Unique  3.00, 3.25 A)
 &rst
  ixpk= 185, nxpk= 10, iat=1329,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 VAL  HA           93 TYR  HN          4.00    (#    186:10        Unique  2.16, 2.18 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1460,1474, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   93 TYR  HB-          93 TYR  HN          5.00    (#    187:10        Unique  2.82, 3.38 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1478,1479,
 &end
#
#   92 VAL  HB           93 TYR  HN          5.00    (#    188:10        Unique  3.43, 3.71 A)
 &rst
  ixpk= 188, nxpk= 10, iat=1462,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 ALA  MB           93 TYR  HN          6.50    (#    189:10        Unique  4.53, 5.47 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1349,1350,1351,
 &end
#
#    0 AMB  10-2:190     93 TYR  HN          5.00    (#    190:10        Single  0.00, 0.00  )
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,1474, 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  MGX          93 TYR  HN          6.00    (#    191:10        Unique  2.29, 4.73 A)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   41 GLU  HA           41 GLU  HN          4.00    (#    195:10        Unique  2.29, 2.83 A)
 &rst
  ixpk= 195, nxpk= 10, iat= 659, 657, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 LEU  HA           41 GLU  HN          3.00    (#    196:10        Unique  2.25, 2.38 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 640, 657, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HA           41 GLU  HN          4.00    (#    197:10        Unique  3.39, 3.85 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1712, 657, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 GLU  HG+          41 GLU  HN          3.50    (#    198:10        Unique  2.05, 3.03 A)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 665,
 &end
#
#   41 GLU  HB+          41 GLU  HN          4.00    (#    199:10        Unique  2.21, 3.12 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 661, 662,
 &end
#
#   41 GLU  HB-          41 GLU  HN          4.00    (#    200:10        Unique  2.21, 3.12 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 661, 662,
 &end
#
#   40 LEU  MDY          41 GLU  HN          4.00    (#    201:10        Unique  3.50, 5.32 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2          41 GLU  HN          4.00    (#    202:10        Unique  1.98, 3.56 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   93 TYR  HD           93 TYR  HN          5.00    (#    205:10        Unique  1.94, 3.51 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1482,1491,
 &end
#
#   83 ALA  HA           93 TYR  HN          5.00    (#    206:10        Unique  2.88, 3.25 A)
 &rst
  ixpk= 206, nxpk= 10, iat=1347,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:207     93 TYR  HN          4.50    (#    207:10        Single  0.00, 0.00  )
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1476,1316,
 &end
#
#   93 TYR  HB+          93 TYR  HN          5.00    (#    208:10        Unique  2.82, 3.38 A)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1478,1479,
 &end
#
#    0 AMB  10-2:209      8 GLU  HN          5.50    (#    209:10        Single  0.00, 0.00  )
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 113, 114,  62,  63,
 &end
#
#    8 GLU  HB-           8 GLU  HN          4.50    (#    210:10        Unique  2.60, 3.76 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 113, 114,
 &end
#
#   48 TRP  HN           61 LYS  HN          3.50    (#    211:10        Unique  2.76, 2.92 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 772,1007, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 THR  HN           61 LYS  HN          4.50    (#    212:10        Unique  3.82, 4.06 A)
 &rst
  ixpk= 212, nxpk= 10, iat=1029,1007, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 GLU  HN           61 LYS  HN          5.00    (#    214:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 214, nxpk= 10, iat= 992,1007, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLU  HA           61 LYS  HN          2.80    (#    216:10        Unique  2.14, 2.17 A)
 &rst
  ixpk= 216, nxpk= 10, iat= 994,1007, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   49 LYS  HA           61 LYS  HN          4.00    (#    218:10        Unique  3.68, 3.88 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 798,1007, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HB+          61 LYS  HN          4.00    (#    219:10        Unique  2.30, 3.41 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 776, 777,
 &end
#
#    0 AMB  10-2:220     61 LYS  HN          4.00    (#    220:10        Single  0.00, 0.00  )
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 999,1000,1606,1607,
 &end
#
#   60 GLU  HB+          61 LYS  HN          5.00    (#    221:10        Unique  2.79, 3.84 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 996, 997,
 &end
#
#   61 LYS  HB+          61 LYS  HN          3.00    (#    222:10        Unique  2.33, 2.81 A)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1011,1012,
 &end
#
#    0 AMB  10-2:223     61 LYS  HN          4.00    (#    223:10        Single  0.00, 0.00  )
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 757, 758,1014,1015,1014,1015,
 &end
#
#   81 GLU  HN           69 ALA  HN          4.00    (#    225:10        Unique  2.84, 3.90 A)
 &rst
  ixpk= 225, nxpk= 10, iat=1314,1133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 VAL  HA           69 ALA  HN          3.00    (#    226:10        Unique  1.89, 2.72 A)
 &rst
  ixpk= 226, nxpk= 10, iat=1300,1133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 MET  HA           69 ALA  HN          3.00    (#    227:10        Unique  2.28, 2.38 A)
 &rst
  ixpk= 227, nxpk= 10, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   69 ALA  HA           69 ALA  HN          3.50    (#    228:10        Unique  2.81, 2.86 A)
 &rst
  ixpk= 228, nxpk= 10, iat=1135,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 MET  HB+          69 ALA  HN          4.00    (#    229:10        Unique  1.87, 3.46 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   80 VAL  HB           69 ALA  HN          5.00    (#    230:10        Unique  3.85, 4.80 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1302,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 MET  ME           69 ALA  HN          4.00    (#    231:10        Unique  2.98, 4.54 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   69 ALA  MB           69 ALA  HN          3.00    (#    232:10        Unique  2.08, 2.92 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1137,1138,1139,
 &end
#
#   80 VAL  MGY          69 ALA  HN          5.00    (#    233:10        Unique  3.66, 5.81 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   71 ASP  HA           71 ASP  HN          3.50    (#    236:10        Unique  2.74, 2.78 A)
 &rst
  ixpk= 236, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:237     71 ASP  HN          3.00    (#    237:10        Single  0.00, 0.00  )
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1161,1162,1150,1151,
 &end
#
#   72 ASP  HN           71 ASP  HN          3.50    (#    238:10        Unique  2.54, 2.72 A)
 &rst
  ixpk= 238, nxpk= 10, iat=1169,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 PRO  HA           71 ASP  HN          3.00    (#    240:10        Unique  2.23, 2.35 A)
 &rst
  ixpk= 240, nxpk= 10, iat=1153,1157, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 PRO  HB+          71 ASP  HN          3.00    (#    242:10        Unique  2.18, 3.15 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1150,1151,
 &end
#
#   71 ASP  HB+          71 ASP  HN          3.00    (#    243:10        Unique  2.09, 2.95 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1161,1162,
 &end
#
#    6 ARG  HN            5 GLU  HN          5.50    (#    244:10        Unique  4.41, 4.47 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  73,  58, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 VAL  HN            5 GLU  HN          5.00    (#    245:10        Unique  2.30, 2.61 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  42,  58, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 VAL  HA            5 GLU  HN          5.00    (#    247:10        Unique  2.92, 3.05 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  44,  58, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HA            5 GLU  HN          5.00    (#    248:10        Unique  2.79, 2.84 A)
 &rst
  ixpk= 248, nxpk= 10, iat=  60,  58, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HG+           5 GLU  HN          5.00    (#    249:10        Unique  2.14, 3.23 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#    5 GLU  HB+           5 GLU  HN          5.50    (#    250:10        Unique  2.37, 3.06 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           5 GLU  HN          5.50    (#    251:10        Unique  2.37, 3.06 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  62,  63,
 &end
#
#    0 AMB  10-2:254     79 TYR  HN          5.00    (#    254:10        Single  0.00, 0.00  )
 &rst
  ixpk= 254, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1287,1292, 528, 533,
 &end
#
#   78 MET  HA           79 TYR  HN          2.80    (#    255:10        Unique  2.14, 2.18 A)
 &rst
  ixpk= 255, nxpk= 10, iat=1262,1277, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   78 MET  ME           79 TYR  HN          5.00    (#    257:10        Unique  3.39, 4.78 A)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1271,1272,1273,
 &end
#
#   68 MET  ME           79 TYR  HN          4.00    (#    258:10        Unique  1.80, 3.14 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   79 TYR  HD           79 TYR  HN          4.00    (#    260:10        Unique  2.77, 4.15 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1285,1294,
 &end
#
#   79 TYR  HA           79 TYR  HN          4.00    (#    261:10        Unique  2.91, 2.92 A)
 &rst
  ixpk= 261, nxpk= 10, iat=1279,1277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HB-          79 TYR  HN          4.00    (#    262:10        Unique  2.66, 3.38 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1281,1282,
 &end
#
#   69 ALA  MB           79 TYR  HN          4.00    (#    263:10        Unique  3.24, 5.76 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  10-2:264     79 TYR  HN          4.00    (#    264:10        Single  0.00, 0.00  )
 &rst
  ixpk= 264, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1264,1265,1550,1551,1552,1554,1555,1556,
 &end
#
#  104 ASP  HB-         104 ASP  HN          4.00    (#    265:10        Unique  3.03, 3.48 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#    0 AMB  10-2:267     58 ILE  HN          4.00    (#    267:10        Single  0.00, 0.00  )
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 946, 842, 935,
 &end
#
#   58 ILE  HA           58 ILE  HN          3.00    (#    268:10        Unique  2.27, 2.40 A)
 &rst
  ixpk= 268, nxpk= 10, iat= 960, 958, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 THR  HB           58 ILE  HN          5.50    (#    269:10        Unique  3.85, 4.33 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 948, 958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:270     58 ILE  HN          3.00    (#    270:10        Single  0.00, 0.00  )
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 962, 844, 845,
 &end
#
#   58 ILE  HG1-         58 ILE  HN          4.00    (#    271:10        Unique  2.68, 3.44 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   57 THR  MG2          58 ILE  HN          6.00    (#    272:10        Unique  2.84, 4.11 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 950, 951, 952,
 &end
#
#   58 ILE  HG1+         58 ILE  HN          4.00    (#    273:10        Unique  2.68, 3.44 A)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 968, 969,
 &end
#
#   58 ILE  QG2          58 ILE  HN          4.00    (#    274:10        Unique  4.22, 4.82 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 958, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 964, 965, 966,
 &end
#
#    0 AMB  10-2:276     50 LYS  HN          4.50    (#    276:10        Single  0.00, 0.00  )
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1007, 796,
 &end
#
#   60 GLU  HA           50 LYS  HN          3.80    (#    278:10        Unique  2.82, 3.12 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 994, 818, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   49 LYS  HA           50 LYS  HN          3.00    (#    280:10        Unique  2.22, 2.23 A)
 &rst
  ixpk= 280, nxpk= 10, iat= 798, 818, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   50 LYS  HA           50 LYS  HN          3.50    (#    281:10        Unique  2.89, 2.91 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:282     50 LYS  HN          3.50    (#    282:10        Single  0.00, 0.00  )
 &rst
  ixpk= 282, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 981, 982, 800, 801,1011,1012,
 &end
#
#   49 LYS  HB-          50 LYS  HN          4.00    (#    283:10        Unique  3.97, 4.17 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 800, 801,
 &end
#
#    0 AMB  10-2:284     50 LYS  HN          5.00    (#    284:10        Single  0.00, 0.00  )
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 803, 804,1014,1015, 757, 758,
 &end
#
#   50 LYS  HB+          50 LYS  HN          3.00    (#    285:10        Unique  2.40, 2.61 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823,
 &end
#
#    0 AMB  10-2:286     50 LYS  HN          4.00    (#    286:10        Single  0.00, 0.00  )
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 971, 972, 973, 825, 826, 825, 826,
 &end
#
#  105 VAL  HN          104 ASP  HN          3.00    (#    287:10        Unique  2.51, 2.74 A)
 &rst
  ixpk= 287, nxpk= 10, iat=1658,1646, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 ILE  HG1+        104 ASP  HN          5.00    (#    288:10        Unique  3.36, 4.43 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1637,1638,
 &end
#
#  105 VAL  MGX         104 ASP  HN          5.00    (#    289:10        Unique  3.69, 5.12 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  104 ASP  HA          104 ASP  HN          2.80    (#    291:10        Unique  2.28, 2.28 A)
 &rst
  ixpk= 291, nxpk= 10, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  103 ILE  HA          104 ASP  HN          2.80    (#    292:10        Unique  2.14, 2.19 A)
 &rst
  ixpk= 292, nxpk= 10, iat=1629,1646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  104 ASP  HB+         104 ASP  HN          4.00    (#    293:10        Unique  3.03, 3.48 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#    0 AMB  10-2:294    104 ASP  HN          4.00    (#    294:10        Single  0.00, 0.00  )
 &rst
  ixpk= 294, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1637,1638,1631,
 &end
#
#  103 ILE  QG2         104 ASP  HN          3.00    (#    295:10        Unique  1.92, 3.49 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1633,1634,1635,
 &end
#
#    0 AMB  10-2:297     13 ARG  HN          5.00    (#    297:10        Single  0.00, 0.00  )
 &rst
  ixpk= 297, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 126, 111,
 &end
#
#   13 ARG  HA           13 ARG  HN          3.00    (#    298:10        Unique  2.71, 2.72 A)
 &rst
  ixpk= 298, nxpk= 10, iat= 196, 194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:299     13 ARG  HN          5.00    (#    299:10        Single  0.00, 0.00  )
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 241, 242, 166, 167, 113, 114,
 &end
#
#   13 ARG  HB-          13 ARG  HN          4.00    (#    300:10        Unique  2.70, 3.19 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 198, 199,
 &end
#
#   13 ARG  HG+          13 ARG  HN          3.00    (#    301:10        Unique  1.93, 2.38 A)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 201, 202,
 &end
#
#   14 ILE  HN           13 ARG  HN          3.00    (#    302:10        Unique  3.26, 3.28 A)
 &rst
  ixpk= 302, nxpk= 10, iat= 218, 194, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:304     13 ARG  HN          3.50    (#    304:10        Single  0.00, 0.00  )
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 181, 182, 204, 205,
 &end
#
#   13 ARG  HB+          13 ARG  HN          3.00    (#    305:10        Unique  2.70, 3.19 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   13 ARG  HG-          13 ARG  HN          4.00    (#    306:10        Unique  1.93, 2.38 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 201, 202,
 &end
#
#   61 LYS  HN           60 GLU  HN          5.00    (#    308:10        Unique  4.31, 4.48 A)
 &rst
  ixpk= 308, nxpk= 10, iat=1007, 992, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   60 GLU  HA           60 GLU  HN          3.00    (#    310:10        Unique  2.84, 2.86 A)
 &rst
  ixpk= 310, nxpk= 10, iat= 994, 992, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   59 GLU  HA           60 GLU  HN          3.00    (#    312:10        Unique  2.14, 2.16 A)
 &rst
  ixpk= 312, nxpk= 10, iat= 979, 992, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 GLU  HG+          60 GLU  HN          4.00    (#    313:10        Unique  2.16, 3.16 A)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 999,1000,
 &end
#
#   60 GLU  HG-          60 GLU  HN          3.00    (#    314:10        Unique  2.16, 3.16 A)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 999,1000,
 &end
#
#   60 GLU  HB+          60 GLU  HN          3.00    (#    315:10        Unique  2.20, 2.97 A)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 996, 997,
 &end
#
#    0 AMB  10-2:316     60 GLU  HN          5.00    (#    316:10        Single  0.00, 0.00  )
 &rst
  ixpk= 316, nxpk= 10, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 964, 965, 966, 822, 823,
 &end
#
#  115 ASP  HN          116 TRP  HN          3.50    (#    317:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 317, nxpk= 10, iat=1795,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 LEU  HN          116 TRP  HN          3.50    (#    318:10        Unique  2.52, 2.74 A)
 &rst
  ixpk= 318, nxpk= 10, iat=1831,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:319    116 TRP  HN          5.00    (#    319:10        Single  0.00, 0.00  )
 &rst
  ixpk= 319, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1850,1871,
 &end
#
#  110 GLN  HE2+        116 TRP  HN          7.00    (#    321:10        Unique  6.64, 7.00 A)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1736,1737,
 &end
#
#  118 TYR  HE          116 TRP  HN          6.10    (#    322:10        Unique  5.17, 6.52 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1860,1865,
 &end
#
#  116 TRP  HD1         116 TRP  HN          5.00    (#    323:10        Unique  3.98, 4.42 A)
 &rst
  ixpk= 323, nxpk= 10, iat=1815,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 TRP  HA          116 TRP  HN          3.50    (#    325:10        Unique  2.79, 2.82 A)
 &rst
  ixpk= 325, nxpk= 10, iat=1809,1807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:326    116 TRP  HN          3.00    (#    326:10        Single  0.00, 0.00  )
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1799,1800,1768,
 &end
#
#  116 TRP  HB+         116 TRP  HN          3.00    (#    327:10        Unique  2.12, 2.57 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  116 TRP  HB-         116 TRP  HN          3.00    (#    328:10        Unique  2.12, 2.57 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1811,1812,
 &end
#
#  115 ASP  HB-         116 TRP  HN          4.00    (#    329:10        Unique  2.52, 2.98 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1799,1800,
 &end
#
#  117 LEU  HG          116 TRP  HN          5.00    (#    330:10        Unique  4.50, 4.93 A)
 &rst
  ixpk= 330, nxpk= 10, iat=1838,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:331    116 TRP  HN          4.00    (#    331:10        Single  0.00, 0.00  )
 &rst
  ixpk= 331, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
      1555,1556,1772,1773,1774,1545,1546,
 &end
#
#    0 AMB  10-2:332    116 TRP  HN          4.00    (#    332:10        Single  0.00, 0.00  )
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
       595, 596,
 &end
#
#   12 HIS  HB+          13 ARG  HN          3.50    (#    333:10        Unique  2.05, 2.68 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 181, 182,
 &end
#
#    0 AMB  10-2:334     13 ARG  HN          3.50    (#    334:10        Single  0.00, 0.00  )
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 177, 237,
 &end
#
#   12 HIS  HA           13 ARG  HN          4.00    (#    335:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 335, nxpk= 10, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  116 TRP  HN          115 ASP  HN          4.00    (#    337:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 337, nxpk= 10, iat=1807,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  118 TYR  HE          115 ASP  HN          5.00    (#    338:10        Unique  3.68, 5.21 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1860,1865,
 &end
#
#   37 ASP  HN           36 LEU  HN          3.50    (#    341:10        Unique  2.64, 2.77 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 600, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 LEU  HA           36 LEU  HN          3.50    (#    342:10        Unique  2.79, 2.82 A)
 &rst
  ixpk= 342, nxpk= 10, iat= 583, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 PHE  HD          103 ILE  HN          4.00    (#    343:10        Unique  3.33, 5.65 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#  103 ILE  QG2         103 ILE  HN          4.00    (#    344:10        Unique  3.77, 4.43 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1633,1634,1635,
 &end
#
#    0 AMB  10-2:345    103 ILE  HN          5.00    (#    345:10        Single  0.00, 0.00  )
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 750,1617,
 &end
#
#   46 GLY  HA-         103 ILE  HN          3.50    (#    346:10        Unique  1.97, 2.89 A)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#  102 ALA  HA          103 ILE  HN          2.80    (#    347:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 347, nxpk= 10, iat=1619,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  103 ILE  HA          103 ILE  HN          3.50    (#    348:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 348, nxpk= 10, iat=1629,1627, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HA+         103 ILE  HN          3.50    (#    349:10        Unique  1.97, 2.89 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#  103 ILE  HB          103 ILE  HN          2.80    (#    350:10        Unique  2.21, 2.37 A)
 &rst
  ixpk= 350, nxpk= 10, iat=1631,1627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  102 ALA  MB          103 ILE  HN          3.80    (#    351:10        Unique  3.49, 4.14 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1621,1622,1623,
 &end
#
#  103 ILE  QD1         103 ILE  HN          4.00    (#    352:10        Unique  2.23, 3.59 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1640,1641,1642,
 &end
#
#  105 VAL  MGY         103 ILE  HN          4.00    (#    353:10        Unique  2.84, 4.47 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   23 GLU  HN           22 ALA  HN          5.00    (#    357:10        Unique  4.24, 4.35 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 357, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 ASP  HN           22 ALA  HN          3.00    (#    358:10        Unique  2.01, 2.23 A)
 &rst
  ixpk= 358, nxpk= 10, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 ASP  HA           22 ALA  HN          4.00    (#    359:10        Unique  3.49, 3.51 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 337, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 ALA  HA           22 ALA  HN          3.00    (#    360:10        Unique  2.71, 2.77 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 349, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  HA           22 ALA  HN          4.00    (#    361:10        Unique  3.81, 3.99 A)
 &rst
  ixpk= 361, nxpk= 10, iat= 302, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:362     22 ALA  HN          4.00    (#    362:10        Single  0.00, 0.00  )
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 489, 490, 321,
 &end
#
#   21 ASP  HB+          22 ALA  HN          5.00    (#    363:10        Unique  2.21, 3.32 A)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 339, 340,
 &end
#
#   21 ASP  HB-          22 ALA  HN          4.00    (#    364:10        Unique  2.21, 3.32 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 339, 340,
 &end
#
#   19 ILE  HB           22 ALA  HN          4.00    (#    365:10        Unique  2.76, 3.11 A)
 &rst
  ixpk= 365, nxpk= 10, iat= 304, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 GLU  HB+          22 ALA  HN          5.00    (#    366:10        Unique  4.13, 4.73 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 425, 426,
 &end
#
#   20 VAL  HB           22 ALA  HN          5.50    (#    367:10        Unique  3.45, 3.81 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 323, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 ALA  MB           22 ALA  HN          3.00    (#    368:10        Unique  2.07, 2.88 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 351, 352, 353,
 &end
#
#   19 ILE  QG2          22 ALA  HN          5.00    (#    369:10        Unique  3.80, 4.94 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 347, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:370     22 ALA  HN          4.00    (#    370:10        Single  0.00, 0.00  )
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 347, 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
#
#   48 TRP  HE1          96 LYS  HN          4.00    (#    371:10        Unique  4.85, 5.02 A)
 &rst
  ixpk= 371, nxpk= 10, iat= 782,1519, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 TRP  HZ2          96 LYS  HN          4.50    (#    373:10        Unique  3.69, 4.07 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 785,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:374     96 LYS  HN          5.50    (#    374:10        Single  0.00, 0.00  )
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 791,1285,1294,
 &end
#
#   79 TYR  HE           96 LYS  HN          5.50    (#    375:10        Unique  5.59, 7.66 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1287,1292,
 &end
#
#   95 ALA  HA           96 LYS  HN          5.50    (#    376:10        Unique  3.39, 3.43 A)
 &rst
  ixpk= 376, nxpk= 10, iat=1511,1519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 LYS  HA           96 LYS  HN          3.00    (#    377:10        Unique  2.27, 2.28 A)
 &rst
  ixpk= 377, nxpk= 10, iat=1521,1519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   99 ASP  HB-          96 LYS  HN          5.00    (#    378:10        Unique  4.87, 5.48 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#   96 LYS  HB+          96 LYS  HN          4.00    (#    379:10        Unique  3.29, 3.82 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#    0 AMB  10-2:380     96 LYS  HN          3.00    (#    380:10        Single  0.00, 0.00  )
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1529,1530,1523,1524,
 &end
#
#   96 LYS  HG+          96 LYS  HN          4.00    (#    381:10        Unique  3.15, 4.15 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   96 LYS  HG-          96 LYS  HN          4.00    (#    382:10        Unique  3.15, 4.15 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1526,1527,
 &end
#
#   95 ALA  MB           96 LYS  HN          4.80    (#    383:10        Unique  1.82, 2.47 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1513,1514,1515,
 &end
#
#  114 ALA  HN          115 ASP  HN          3.50    (#    385:10        Unique  2.71, 2.93 A)
 &rst
  ixpk= 385, nxpk= 10, iat=1785,1795, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ALA  HA          115 ASP  HN          4.00    (#    386:10        Unique  3.54, 3.89 A)
 &rst
  ixpk= 386, nxpk= 10, iat=1758,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  111 GLU  HA          115 ASP  HN          4.50    (#    387:10        Unique  3.56, 3.69 A)
 &rst
  ixpk= 387, nxpk= 10, iat=1743,1795, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 ALA  HA          115 ASP  HN          4.00    (#    388:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 388, nxpk= 10, iat=1787,1795, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  115 ASP  HB+         115 ASP  HN          3.00    (#    389:10        Unique  2.08, 2.82 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1799,1800,
 &end
#
#    0 AMB  10-2:390    115 ASP  HN          5.00    (#    390:10        Single  0.00, 0.00  )
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1811,1812,1854,1855,
 &end
#
#  115 ASP  HB-         115 ASP  HN          3.50    (#    391:10        Unique  2.08, 2.82 A)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1799,1800,
 &end
#
#  114 ALA  MB          115 ASP  HN          3.00    (#    392:10        Unique  2.42, 3.17 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1789,1790,1791,
 &end
#
#  112 ALA  MB          115 ASP  HN          5.00    (#    393:10        Unique  5.21, 5.85 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#   35 TYR  HN           36 LEU  HN          3.00    (#    396:10        Unique  2.41, 2.51 A)
 &rst
  ixpk= 396, nxpk= 10, iat= 560, 581, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 TYR  HD           36 LEU  HN          4.50    (#    397:10        Unique  3.14, 4.63 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 568, 577,
 &end
#
#   35 TYR  HA           36 LEU  HN          4.00    (#    398:10        Unique  3.44, 3.47 A)
 &rst
  ixpk= 398, nxpk= 10, iat= 562, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   35 TYR  HB+          36 LEU  HN          4.00    (#    399:10        Unique  2.68, 3.58 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 564, 565,
 &end
#
#   35 TYR  HB-          36 LEU  HN          4.00    (#    400:10        Unique  2.68, 3.58 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 564, 565,
 &end
#
#    0 AMB  10-2:401     36 LEU  HN          4.00    (#    401:10        Single  0.00, 0.00  )
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 588, 604, 605,
 &end
#
#   36 LEU  HB-          36 LEU  HN          3.80    (#    402:10        Unique  2.07, 2.54 A)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 585, 586,
 &end
#
#   68 MET  ME           36 LEU  HN          5.00    (#    403:10        Unique  4.50, 6.32 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1127,1128,1129,
 &end
#
#   36 LEU  HB+          36 LEU  HN          3.00    (#    404:10        Unique  2.07, 2.54 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 585, 586,
 &end
#
#   36 LEU  MDY          36 LEU  HN          4.50    (#    405:10        Unique  3.28, 5.03 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  MDX          36 LEU  HN          4.00    (#    406:10        Unique  3.28, 5.03 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#  117 LEU  HB-         118 TYR  HN          4.00    (#    407:10        Unique  2.60, 3.19 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1835,1836,
 &end
#
#    0 AMB  10-2:408      0 AMB  10-1:408    4.50    (#    408:10        Double  0.00, 0.00  )
 &rst
  ixpk= 408, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1840,1841,1842,1844,1845,1846, 142, 143,
 igr2=1850,1871,
 &end
#
#  117 LEU  HN          118 TYR  HN          3.50    (#    409:10        Unique  2.70, 2.87 A)
 &rst
  ixpk= 409, nxpk= 10, iat=1831,1850, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  118 TYR  HA            0 AMB  10-1:410    3.00    (#    410:10        Single  0.00, 0.00  )
 &rst
  ixpk= 410, nxpk= 10, iat=1852,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1850,1871,
 &end
#
#    0 AMB  10-2:411      0 AMB  10-1:411    4.00    (#    411:10        Double  0.00, 0.00  )
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1833,1799,1800,
 igr2=1850,1871,
 &end
#
#  119 TRP  HB-         119 TRP  HN          3.00    (#    412:10        Unique  2.08, 2.62 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1875,1876,
 &end
#
#    0 AMB  10-2:413      0 AMB  10-1:413    3.50    (#    413:10        Double  0.00, 0.00  )
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1854,1855,1854,1855,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:414    118 TYR  HN          3.00    (#    414:10        Single  0.00, 0.00  )
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,1850, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1835,1836,1899,1900,
 &end
#
#  117 LEU  MDY           0 AMB  10-1:415    6.00    (#    415:10        Single  0.00, 0.00  )
 &rst
  ixpk= 415, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1840,1841,1842,1844,1845,1846,
 igr2=1850,1871,
 &end
#
#  118 TYR  HE            0 AMB  10-1:416    4.50    (#    416:10        Single  0.00, 0.00  )
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1860,1865,
 igr2=1871,1850,
 &end
#
#  119 TRP  HA          119 TRP  HN          3.50    (#    417:10        Unique  2.74, 2.77 A)
 &rst
  ixpk= 417, nxpk= 10, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  120 LEU  HN            0 AMB  10-1:419    3.50    (#    419:10        Single  0.00, 0.00  )
 &rst
  ixpk= 419, nxpk= 10, iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1871,1850,
 &end
#
#  116 TRP  HA            0 AMB  10-1:421    4.00    (#    421:10        Single  0.00, 0.00  )
 &rst
  ixpk= 421, nxpk= 10, iat=1809,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:422      0 AMB  10-1:422    5.00    (#    422:10        Double  0.00, 0.00  )
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.71, r4= 9.21,
 igr1=1928,1929,1904,1905,1906,1908,1909,1910,1904,1905,
      1906,1908,1909,1910,
 igr2=1871,1850,
 &end
#
#    0 AMB  10-2:424     85 ILE  HN          3.00    (#    424:10        Single  0.00, 0.00  )
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1386,1059,1355,
 &end
#
#   63 VAL  HA           85 ILE  HN          3.00    (#    425:10        Unique  1.95, 2.11 A)
 &rst
  ixpk= 425, nxpk= 10, iat=1045,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASP  HA           85 ILE  HN          2.80    (#    426:10        Unique  2.18, 2.20 A)
 &rst
  ixpk= 426, nxpk= 10, iat=1357,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   85 ILE  HA           85 ILE  HN          3.00    (#    428:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 428, nxpk= 10, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 ASP  HB+          85 ILE  HN          4.50    (#    429:10        Unique  3.88, 4.29 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1359,1360,
 &end
#
#   84 ASP  HB-          85 ILE  HN          4.00    (#    430:10        Unique  3.88, 4.29 A)
 &rst
  ixpk= 430, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#    0 AMB  10-2:431     85 ILE  HN          4.40    (#    431:10        Single  0.00, 0.00  )
 &rst
  ixpk= 431, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1047, 737, 738, 739,
 &end
#
#   85 ILE  HB           85 ILE  HN          3.00    (#    432:10        Unique  3.60, 3.63 A)
 &rst
  ixpk= 432, nxpk= 10, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 ILE  HG1-         85 ILE  HN          3.00    (#    433:10        Unique  1.84, 2.37 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#   85 ILE  HG1+         85 ILE  HN          3.00    (#    434:10        Unique  1.84, 2.37 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1377,1378,
 &end
#
#    0 AMB  10-2:435     85 ILE  HN          4.00    (#    435:10        Single  0.00, 0.00  )
 &rst
  ixpk= 435, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#    7 ASP  HN            6 ARG  HN          3.00    (#    441:10        Unique  1.77, 1.93 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  97,  73, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 GLU  HN            6 ARG  HN          6.00    (#    442:10        Unique  4.41, 4.47 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  58,  73, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 ARG  HA            6 ARG  HN          3.50    (#    444:10        Unique  2.91, 2.94 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  75,  73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLU  HA            6 ARG  HN          5.00    (#    445:10        Unique  2.69, 2.72 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  60,  73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 GLU  HG+           6 ARG  HN          6.00    (#    446:10        Unique  2.45, 3.26 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  65,  66,
 &end
#
#    5 GLU  HB+           6 ARG  HN          5.00    (#    447:10        Unique  1.85, 2.71 A)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  62,  63,
 &end
#
#    5 GLU  HB-           6 ARG  HN          5.00    (#    448:10        Unique  1.85, 2.71 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  62,  63,
 &end
#
#    6 ARG  HB+           6 ARG  HN          4.00    (#    449:10        Unique  2.38, 3.35 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  77,  78,
 &end
#
#    6 ARG  HG+           6 ARG  HN          5.00    (#    450:10        Unique  1.83, 3.25 A)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  80,  81,
 &end
#
#    6 ARG  HD+           6 ARG  HN          4.00    (#    451:10        Unique  1.84, 3.39 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  83,  84,
 &end
#
#    6 ARG  HD-           6 ARG  HN          4.00    (#    452:10        Unique  1.84, 3.39 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  83,  84,
 &end
#
#    0 AMB  10-2:455     42 PHE  HN          3.00    (#    455:10        Single  0.00, 0.00  )
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 714, 722, 680, 688,
 &end
#
#   42 PHE  HB-          42 PHE  HN          3.50    (#    456:10        Unique  2.15, 2.86 A)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          42 PHE  HN          4.00    (#    457:10        Unique  2.15, 2.86 A)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#    0 AMB  10-2:458     42 PHE  HN          4.50    (#    458:10        Single  0.00, 0.00  )
 &rst
  ixpk= 458, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 661, 662, 645,
 &end
#
#   43 PRO  HA           42 PHE  HN          5.00    (#    459:10        Unique  4.51, 4.64 A)
 &rst
  ixpk= 459, nxpk= 10, iat= 702, 672, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 PHE  HA           42 PHE  HN          3.00    (#    460:10        Unique  2.55, 2.64 A)
 &rst
  ixpk= 460, nxpk= 10, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:461     42 PHE  HN          3.00    (#    461:10        Single  0.00, 0.00  )
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 659, 602,
 &end
#
#   41 GLU  HG+          42 PHE  HN          5.00    (#    462:10        Unique  3.13, 3.84 A)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 664, 665,
 &end
#
#    0 AMB  10-2:463     42 PHE  HN          5.00    (#    463:10        Single  0.00, 0.00  )
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 661, 662,1662,
 &end
#
#   31 GLY  HN           32 TRP  HN          3.50    (#    464:10        Unique  2.81, 2.88 A)
 &rst
  ixpk= 464, nxpk= 10, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 TRP  HD1          32 TRP  HN          3.50    (#    467:10        Unique  2.23, 2.57 A)
 &rst
  ixpk= 467, nxpk= 10, iat= 502, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:468     32 TRP  HN          3.00    (#    468:10        Single  0.00, 0.00  )
 &rst
  ixpk= 468, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 489, 490, 496,
 &end
#
#   31 GLY  HA-          32 TRP  HN          3.50    (#    469:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 489, 490,
 &end
#
#   32 TRP  HB+          32 TRP  HN          3.00    (#    470:10        Unique  2.19, 2.91 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   32 TRP  HB-          32 TRP  HN          3.80    (#    471:10        Unique  2.19, 2.91 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 498, 499,
 &end
#
#    0 AMB  10-2:472     32 TRP  HN          4.00    (#    472:10        Single  0.00, 0.00  )
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 522, 523,
 &end
#
#   78 MET  ME           32 TRP  HN          6.00    (#    473:10        Unique  3.53, 5.21 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1271,1272,1273,
 &end
#
#    0 AMB  10-2:474     32 TRP  HN          6.00    (#    474:10        Single  0.00, 0.00  )
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1267,1268, 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          32 TRP  HN          6.00    (#    475:10        Unique  3.07, 3.92 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   23 GLU  HA           23 GLU  HN          4.00    (#    477:10        Unique  2.94, 2.95 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 359, 357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:478     23 GLU  HN          4.00    (#    478:10        Single  0.00, 0.00  )
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 364, 365, 428, 429,
 &end
#
#    0 AMB  10-2:479     23 GLU  HN          3.00    (#    479:10        Single  0.00, 0.00  )
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 361, 362, 425, 426,
 &end
#
#   23 GLU  HB-          23 GLU  HN          3.50    (#    480:10        Unique  2.59, 3.25 A)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 361, 362,
 &end
#
#   24 ASP  HN           23 GLU  HN          2.80    (#    481:10        Unique  1.81, 1.85 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 372, 357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 ALA  HA           23 GLU  HN          2.80    (#    482:10        Unique  2.15, 2.17 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 349, 357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   22 ALA  MB           23 GLU  HN          4.00    (#    483:10        Unique  3.74, 4.19 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   22 ALA  HN           21 ASP  HN          3.00    (#    484:10        Unique  2.01, 2.23 A)
 &rst
  ixpk= 484, nxpk= 10, iat= 347, 335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 VAL  HN           21 ASP  HN          4.50    (#    485:10        Unique  3.90, 4.00 A)
 &rst
  ixpk= 485, nxpk= 10, iat= 319, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ASP  HA           21 ASP  HN          3.00    (#    486:10        Unique  2.76, 2.91 A)
 &rst
  ixpk= 486, nxpk= 10, iat= 337, 335, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   20 VAL  HA           21 ASP  HN          4.00    (#    487:10        Unique  3.46, 3.53 A)
 &rst
  ixpk= 487, nxpk= 10, iat= 321, 335, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 ASP  HB+          21 ASP  HN          3.50    (#    488:10        Unique  2.35, 2.76 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#   21 ASP  HB-          21 ASP  HN          3.50    (#    489:10        Unique  2.35, 2.76 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#   20 VAL  HB           21 ASP  HN          4.50    (#    490:10        Unique  1.80, 1.87 A)
 &rst
  ixpk= 490, nxpk= 10, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 ALA  MB           21 ASP  HN          5.00    (#    491:10        Unique  3.80, 4.89 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:492     21 ASP  HN          3.00    (#    492:10        Single  0.00, 0.00  )
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 335, 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
#
#   98 SER  HN           99 ASP  HN          3.00    (#    496:10        Unique  2.34, 2.49 A)
 &rst
  ixpk= 496, nxpk= 10, iat=1560,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 TRP  HD1          99 ASP  HN          5.50    (#    497:10        Unique  5.19, 5.37 A)
 &rst
  ixpk= 497, nxpk= 10, iat= 780,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ASP  HA           99 ASP  HN          3.00    (#    498:10        Unique  2.81, 2.84 A)
 &rst
  ixpk= 498, nxpk= 10, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 SER  HA           99 ASP  HN          4.00    (#    500:10        Unique  3.46, 3.49 A)
 &rst
  ixpk= 500, nxpk= 10, iat=1562,1571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   99 ASP  HB+          99 ASP  HN          3.00    (#    501:10        Unique  3.00, 3.29 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-          99 ASP  HN          3.50    (#    502:10        Unique  3.00, 3.29 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1575,1576,
 &end
#
#  100 ILE  HB           99 ASP  HN          4.00    (#    503:10        Unique  3.26, 3.32 A)
 &rst
  ixpk= 503, nxpk= 10, iat=1587,1571, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:505     99 ASP  HN          4.00    (#    505:10        Single  0.00, 0.00  )
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1529,1530,1523,1524,
 &end
#
#   96 LYS  HG+          99 ASP  HN          5.00    (#    506:10        Unique  5.78, 6.42 A)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1526,1527,
 &end
#
#    0 AMB  10-2:507     99 ASP  HN          5.00    (#    507:10        Single  0.00, 0.00  )
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1593,1594, 803, 804,
 &end
#
#  100 ILE  HG1+         99 ASP  HN          5.00    (#    508:10        Unique  4.86, 5.67 A)
 &rst
  ixpk= 508, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1593,1594,
 &end
#
#    0 AMB  10-2:509     99 ASP  HN          5.00    (#    509:10        Single  0.00, 0.00  )
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=1840,1841,1842,1844,1845,1846,1545,1546,1550,1551,
      1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:510     99 ASP  HN          5.00    (#    510:10        Single  0.00, 0.00  )
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1589,1590,1591,1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:511     99 ASP  HN          6.00    (#    511:10        Single  0.00, 0.00  )
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1513,1514,1515,1596,1597,1598,
 &end
#
#    0 AMB  10-2:513      0 AMB  10-1:513    4.00    (#    513:10        Double  0.00, 0.00  )
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1007,1090,
 igr2=1029,1345,
 &end
#
#    0 AMB  10-2:514      0 AMB  10-1:514    3.50    (#    514:10        Double  0.00, 0.00  )
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1349,1350,1351,1014,1015,
 igr2=1345,1029,
 &end
#
#   82 VAL  MGX          83 ALA  HN          4.00    (#    515:10        Unique  1.96, 3.79 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   62 THR  HA           62 THR  HN          3.00    (#    516:10        Unique  2.80, 2.82 A)
 &rst
  ixpk= 516, nxpk= 10, iat=1031,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:517      0 AMB  10-1:517    4.00    (#    517:10        Double  0.00, 0.00  )
 &rst
  ixpk= 517, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1011,1012,1371,
 igr2=1029,1345,
 &end
#
#    0 AMB  10-2:519      0 AMB  10-1:519    4.00    (#    519:10        Double  0.00, 0.00  )
 &rst
  ixpk= 519, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1035,1036,1037,1377,1378,1377,1378,
 igr2=1029,1345,
 &end
#
#   62 THR  HB           62 THR  HN          3.00    (#    521:10        Unique  2.68, 2.79 A)
 &rst
  ixpk= 521, nxpk= 10, iat=1033,1029, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 ASP  HA           26 GLU  HN          4.70    (#    522:10        Unique  3.94, 4.16 A)
 &rst
  ixpk= 522, nxpk= 10, iat= 374, 406, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   25 LYS  HA           26 GLU  HN          4.00    (#    524:10        Unique  3.42, 3.49 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 386, 406, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HB+          26 GLU  HN          4.00    (#    525:10        Unique  2.11, 3.06 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 376, 377,
 &end
#
#   27 GLU  HG-          26 GLU  HN          4.00    (#    526:10        Unique  3.81, 4.72 A)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#   26 GLU  HG+          26 GLU  HN          3.00    (#    527:10        Unique  2.47, 3.13 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 413, 414,
 &end
#
#   26 GLU  HB-          26 GLU  HN          4.00    (#    528:10        Unique  2.32, 3.02 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 410, 411,
 &end
#
#    0 AMB  10-2:529     26 GLU  HN          3.80    (#    529:10        Single  0.00, 0.00  )
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 391, 392, 394, 395,
 &end
#
#   25 LYS  HG-          26 GLU  HN          4.50    (#    530:10        Unique  1.90, 2.98 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 391, 392,
 &end
#
#   27 GLU  HN           26 GLU  HN          3.00    (#    531:10        Unique  2.46, 2.53 A)
 &rst
  ixpk= 531, nxpk= 10, iat= 421, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 GLU  HA           26 GLU  HN          3.00    (#    532:10        Unique  2.87, 2.91 A)
 &rst
  ixpk= 532, nxpk= 10, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 VAL  HA           83 ALA  HN          5.00    (#    534:10        Unique  3.89, 4.34 A)
 &rst
  ixpk= 534, nxpk= 10, iat=1076,1345, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 VAL  HB           83 ALA  HN          3.00    (#    535:10        Unique  2.57, 2.90 A)
 &rst
  ixpk= 535, nxpk= 10, iat=1047,1345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  HB           83 ALA  HN          4.50    (#    536:10        Unique  2.03, 3.19 A)
 &rst
  ixpk= 536, nxpk= 10, iat=1333,1345, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 VAL  MGY          83 ALA  HN          4.00    (#    537:10        Unique  2.28, 4.95 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  10-2:538     83 ALA  HN          4.00    (#    538:10        Single  0.00, 0.00  )
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,
 &end
#
#   82 VAL  MGY          83 ALA  HN          4.00    (#    539:10        Unique  1.96, 3.79 A)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  10-2:540     35 TYR  HN          3.00    (#    540:10        Single  0.00, 0.00  )
 &rst
  ixpk= 540, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 581, 539,
 &end
#
#    0 AMB  10-2:541     35 TYR  HN          5.00    (#    541:10        Single  0.00, 0.00  )
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 518, 600,
 &end
#
#   34 TYR  HD           35 TYR  HN          5.00    (#    542:10        Unique  4.62, 4.96 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 547, 556,
 &end
#
#   35 TYR  HD           35 TYR  HN          4.20    (#    543:10        Unique  1.72, 3.57 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 568, 577,
 &end
#
#   35 TYR  HA           35 TYR  HN          3.00    (#    544:10        Unique  2.80, 2.85 A)
 &rst
  ixpk= 544, nxpk= 10, iat= 562, 560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   34 TYR  HA           35 TYR  HN          4.00    (#    545:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 545, nxpk= 10, iat= 541, 560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:546     35 TYR  HN          4.00    (#    546:10        Single  0.00, 0.00  )
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 496, 489, 490,
 &end
#
#   34 TYR  HB+          35 TYR  HN          3.00    (#    547:10        Unique  2.40, 2.75 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.87,
 igr1= 543, 544,
 &end
#
#    0 AMB  10-2:548     35 TYR  HN          3.00    (#    548:10        Single  0.00, 0.00  )
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 564, 565, 543, 544,
 &end
#
#    0 AMB  10-2:549     35 TYR  HN          6.00    (#    549:10        Single  0.00, 0.00  )
 &rst
  ixpk= 549, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 604, 605, 588,
 &end
#
#   36 LEU  MDY          35 TYR  HN          6.50    (#    550:10        Unique  5.15, 7.25 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          35 TYR  HN          6.50    (#    551:10        Unique  4.30, 5.28 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 287, 288, 289,
 &end
#
#    9 THR  HN           10 ARG  HN          3.00    (#    552:10        Unique  2.58, 2.61 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 124, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 THR  HB           10 ARG  HN          3.20    (#    554:10        Unique  4.06, 4.12 A)
 &rst
  ixpk= 554, nxpk= 10, iat= 128, 138, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    0 AMB  10-2:555     10 ARG  HN          4.00    (#    555:10        Single  0.00, 0.00  )
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 111, 126,
 &end
#
#   10 ARG  HA           10 ARG  HN          3.50    (#    556:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 556, nxpk= 10, iat= 140, 138, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 THR  MG2          10 ARG  HN          4.20    (#    558:10        Unique  2.45, 3.79 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 130, 131, 132,
 &end
#
#   10 ARG  HB-          10 ARG  HN          3.50    (#    559:10        Unique  2.31, 2.79 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 142, 143,
 &end
#
#   11 GLU  HN           10 ARG  HN          3.00    (#    560:10        Unique  2.42, 2.49 A)
 &rst
  ixpk= 560, nxpk= 10, iat= 162, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ARG  HG-          10 ARG  HN          6.00    (#    562:10        Unique  3.76, 4.65 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 201, 202,
 &end
#
#   29 ALA  HN           28 ARG  HN          3.50    (#    563:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 460, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:564     28 ARG  HN          4.00    (#    564:10        Single  0.00, 0.00  )
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 386, 349,
 &end
#
#   28 ARG  HA           28 ARG  HN          3.50    (#    565:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 565, nxpk= 10, iat= 438, 436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HE+          28 ARG  HN          7.00    (#    567:10        Unique  5.37, 6.36 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 397, 398,
 &end
#
#    0 AMB  10-2:568     28 ARG  HN          5.00    (#    568:10        Single  0.00, 0.00  )
 &rst
  ixpk= 568, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 428, 429, 462,
 &end
#
#    0 AMB  10-2:569     28 ARG  HN          3.00    (#    569:10        Single  0.00, 0.00  )
 &rst
  ixpk= 569, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 440, 441, 425, 426,
 &end
#
#    0 AMB  10-2:570     28 ARG  HN          5.00    (#    570:10        Single  0.00, 0.00  )
 &rst
  ixpk= 570, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 391, 392, 394, 395,1211,1212,
 &end
#
#   22 ALA  MB           28 ARG  HN          4.00    (#    572:10        Unique  3.32, 4.30 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   29 ALA  MB           28 ARG  HN          5.00    (#    573:10        Unique  4.70, 5.64 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   90 ASP  HN           91 ASP  HN          3.00    (#    575:10        Unique  1.86, 2.33 A)
 &rst
  ixpk= 575, nxpk= 10, iat=1434,1446, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 VAL  HN           91 ASP  HN          4.40    (#    576:10        Unique  4.52, 4.56 A)
 &rst
  ixpk= 576, nxpk= 10, iat=1458,1446, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  10-2:577     91 ASP  HN          3.00    (#    577:10        Single  0.00, 0.00  )
 &rst
  ixpk= 577, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1448,1436,
 &end
#
#   91 ASP  HB+          91 ASP  HN          3.00    (#    578:10        Unique  2.20, 2.94 A)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1450,1451,
 &end
#
#   88 LYS  HB-          91 ASP  HN          4.00    (#    579:10        Unique  2.15, 2.90 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1404,1405,
 &end
#
#    0 AMB  10-2:580     91 ASP  HN          4.50    (#    580:10        Single  0.00, 0.00  )
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1407,1408,1349,1350,1351,
 &end
#
#    0 AMB  10-2:581     91 ASP  HN          5.00    (#    581:10        Single  0.00, 0.00  )
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,1446, 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
#
#  114 ALA  HN          112 ALA  HN          5.00    (#    582:10        Unique  4.34, 4.53 A)
 &rst
  ixpk= 582, nxpk= 10, iat=1785,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  111 GLU  HN          112 ALA  HN          3.00    (#    583:10        Unique  2.87, 3.00 A)
 &rst
  ixpk= 583, nxpk= 10, iat=1741,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  HA          112 ALA  HN          3.50    (#    584:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 584, nxpk= 10, iat=1758,1756, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:585    112 ALA  HN          4.20    (#    585:10        Single  0.00, 0.00  )
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1726,1768, 640,
 &end
#
#  109 THR  HA          112 ALA  HN          4.50    (#    586:10        Unique  3.79, 3.89 A)
 &rst
  ixpk= 586, nxpk= 10, iat=1712,1756, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:587    112 ALA  HN          4.20    (#    587:10        Single  0.00, 0.00  )
 &rst
  ixpk= 587, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1748,1749,1731,1732,
 &end
#
#  111 GLU  HB+         112 ALA  HN          3.00    (#    588:10        Unique  2.40, 2.91 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1745,1746,
 &end
#
#  113 ILE  HB          112 ALA  HN          5.00    (#    589:10        Unique  4.94, 4.99 A)
 &rst
  ixpk= 589, nxpk= 10, iat=1770,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  114 ALA  MB          112 ALA  HN          5.00    (#    590:10        Unique  5.04, 6.24 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1789,1790,1791,
 &end
#
#  112 ALA  MB          112 ALA  HN          3.00    (#    591:10        Unique  2.06, 2.88 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#   39 THR  MG2         112 ALA  HN          4.00    (#    593:10        Unique  3.65, 4.41 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 630, 631, 632,
 &end
#
#   63 VAL  HA           64 GLU  HN          3.00    (#    597:10        Unique  2.33, 2.47 A)
 &rst
  ixpk= 597, nxpk= 10, iat=1045,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 VAL  HB           64 GLU  HN          3.00    (#    598:10        Unique  2.05, 2.30 A)
 &rst
  ixpk= 598, nxpk= 10, iat=1047,1059, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 GLU  HB+          64 GLU  HN          3.00    (#    599:10        Unique  2.51, 2.89 A)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063,1064,
 &end
#
#   64 GLU  HB-          64 GLU  HN          3.00    (#    600:10        Unique  2.51, 2.89 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063,1064,
 &end
#
#    0 AMB  10-2:601     64 GLU  HN          5.00    (#    601:10        Single  0.00, 0.00  )
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#   63 VAL  MGX          64 GLU  HN          4.00    (#    602:10        Unique  2.69, 4.25 A)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  115 ASP  HN          114 ALA  HN          3.50    (#    603:10        Unique  2.71, 2.93 A)
 &rst
  ixpk= 603, nxpk= 10, iat=1795,1785, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 ILE  HN          114 ALA  HN          3.00    (#    604:10        Unique  2.92, 2.99 A)
 &rst
  ixpk= 604, nxpk= 10, iat=1766,1785, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HA          114 ALA  HN          4.50    (#    606:10        Unique  3.85, 3.91 A)
 &rst
  ixpk= 606, nxpk= 10, iat=1743,1785, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 ALA  HA          114 ALA  HN          3.00    (#    607:10        Unique  2.74, 2.77 A)
 &rst
  ixpk= 607, nxpk= 10, iat=1787,1785, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:608    114 ALA  HN          4.00    (#    608:10        Single  0.00, 0.00  )
 &rst
  ixpk= 608, nxpk= 10, iat=  -1,1785, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1768,1726,
 &end
#
#    0 AMB  10-2:609      0 AMB  10-1:609    3.00    (#    609:10        Double  0.00, 0.00  )
 &rst
  ixpk= 609, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1789,1790,1791,1318,1319,
 igr2=1785,1314,
 &end
#
#   66 LEU  HB-          81 GLU  HN          6.00    (#    610:10        Unique  3.21, 4.56 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1094,1095,
 &end
#
#  113 ILE  HN          112 ALA  HN          3.00    (#    615:10        Unique  2.87, 2.96 A)
 &rst
  ixpk= 615, nxpk= 10, iat=1766,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HA          112 ALA  HN          4.00    (#    617:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 617, nxpk= 10, iat=1743,1756, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:618    112 ALA  HN          5.00    (#    618:10        Single  0.00, 0.00  )
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 647, 648, 649, 651, 652, 653,1776,1777,
 &end
#
#    0 AMB  10-2:619    112 ALA  HN          5.00    (#    619:10        Single  0.00, 0.00  )
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  10-2:620    112 ALA  HN          5.00    (#    620:10        Single  0.00, 0.00  )
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1776,1777,1728,1729,
 &end
#
#   28 ARG  HN           29 ALA  HN          3.50    (#    621:10        Unique  2.84, 2.95 A)
 &rst
  ixpk= 621, nxpk= 10, iat= 436, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HN           29 ALA  HN          3.50    (#    622:10        Unique  2.63, 2.69 A)
 &rst
  ixpk= 622, nxpk= 10, iat= 470, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 LYS  HA           29 ALA  HN          5.00    (#    625:10        Unique  4.77, 5.01 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 386, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:626     29 ALA  HN          4.00    (#    626:10        Single  0.00, 0.00  )
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 408, 423,
 &end
#
#   28 ARG  HA           29 ALA  HN          4.00    (#    627:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 438, 460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:628     29 ALA  HN          5.20    (#    628:10        Single  0.00, 0.00  )
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=2002,2003, 522, 523,
 &end
#
#   29 ALA  HA           29 ALA  HN          3.50    (#    629:10        Unique  2.76, 2.79 A)
 &rst
  ixpk= 629, nxpk= 10, iat= 462, 460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:630     29 ALA  HN          5.00    (#    630:10        Single  0.00, 0.00  )
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1271,1272,1273, 410, 411, 425, 426,
 &end
#
#   25 LYS  HB+          29 ALA  HN          5.00    (#    631:10        Unique  5.95, 6.67 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 388, 389,
 &end
#
#   30 MET  ME           29 ALA  HN          5.00    (#    632:10        Unique  3.94, 4.77 A)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 481, 482, 483,
 &end
#
#   29 ALA  MB           29 ALA  HN          3.00    (#    633:10        Unique  2.07, 2.88 A)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#    0 AMB  10-2:634     29 ALA  HN          5.00    (#    634:10        Single  0.00, 0.00  )
 &rst
  ixpk= 634, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1211,1212, 394, 395, 391, 392,1236,1237,
 &end
#
#   85 ILE  HG1+         64 GLU  HN          5.00    (#    635:10        Unique  3.21, 4.54 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1377,1378,
 &end
#
#   69 ALA  HN           81 GLU  HN          4.00    (#    636:10        Unique  2.84, 3.90 A)
 &rst
  ixpk= 636, nxpk= 10, iat=1133,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 GLY  HN           81 GLU  HN          4.00    (#    637:10        Unique  3.18, 3.65 A)
 &rst
  ixpk= 637, nxpk= 10, iat=1109,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 VAL  HA           81 GLU  HN          3.00    (#    638:10        Unique  2.19, 2.27 A)
 &rst
  ixpk= 638, nxpk= 10, iat=1300,1314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 MET  HA           81 GLU  HN          3.50    (#    639:10        Unique  1.91, 2.88 A)
 &rst
  ixpk= 639, nxpk= 10, iat=1118,1314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:640      0 AMB  10-1:640    5.00    (#    640:10        Double  0.00, 0.00  )
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1137,1138,1139,1621,1622,1623,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:641      0 AMB  10-1:641    3.20    (#    641:10        Double  0.00, 0.00  )
 &rst
  ixpk= 641, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1304,1305,1306,1308,1309,1310,1840,1841,1842,1844,
      1845,1846,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:642     81 GLU  HN          5.00    (#    642:10        Single  0.00, 0.00  )
 &rst
  ixpk= 642, nxpk= 10, iat=  -1,1314, 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  MGY          81 GLU  HN          6.00    (#    643:10        Unique  4.27, 6.68 A)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   80 VAL  HB           81 GLU  HN          3.00    (#    644:10        Unique  2.46, 2.87 A)
 &rst
  ixpk= 644, nxpk= 10, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:645     81 GLU  HN          4.50    (#    645:10        Single  0.00, 0.00  )
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1133,1116,
 &end
#
#   81 GLU  HG-          81 GLU  HN          4.00    (#    646:10        Unique  2.79, 3.47 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1321,1322,
 &end
#
#    0 AMB  10-2:647      0 AMB  10-1:647    3.00    (#    647:10        Double  0.00, 0.00  )
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1772,1773,1774,1501,1502,1503,
 igr2=1785,1314,
 &end
#
#    0 AMB  10-2:648      0 AMB  10-1:648    4.20    (#    648:10        Double  0.00, 0.00  )
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1776,1777,1078, 647, 648, 649, 651, 652, 653,
 igr2=1785,1314,
 &end
#
#    0 AMB  10-2:649      0 AMB  10-1:649    4.00    (#    649:10        Double  0.00, 0.00  )
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1779,1780,1781,1099,1100,1101,1103,1104,1105,
 igr2=1785,1314,
 &end
#
#   99 ASP  HA          100 ILE  HN          3.20    (#    652:10        Unique  2.43, 2.46 A)
 &rst
  ixpk= 652, nxpk= 10, iat=1573,1583, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   98 SER  HA          100 ILE  HN          5.00    (#    653:10        Unique  5.21, 5.31 A)
 &rst
  ixpk= 653, nxpk= 10, iat=1562,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  100 ILE  HB          100 ILE  HN          3.00    (#    654:10        Unique  2.78, 2.92 A)
 &rst
  ixpk= 654, nxpk= 10, iat=1587,1583, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 ILE  HG1-        100 ILE  HN          4.00    (#    656:10        Unique  4.46, 4.71 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#  100 ILE  HG1+        100 ILE  HN          4.00    (#    657:10        Unique  4.46, 4.71 A)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#  117 LEU  MDX         100 ILE  HN          4.50    (#    658:10        Unique  2.32, 4.00 A)
 &rst
  ixpk= 658, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  101 GLU  HN          100 ILE  HN          5.00    (#    659:10        Unique  4.39, 4.41 A)
 &rst
  ixpk= 659, nxpk= 10, iat=1602,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   99 ASP  HB+         100 ILE  HN          5.00    (#    662:10        Unique  4.26, 4.50 A)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1575,1576,
 &end
#
#   99 ASP  HB-         100 ILE  HN          4.00    (#    663:10        Unique  4.26, 4.50 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1575,1576,
 &end
#
#  117 LEU  MDY         100 ILE  HN          4.50    (#    664:10        Unique  2.32, 4.00 A)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  100 ILE  QG2         100 ILE  HN          4.00    (#    665:10        Unique  2.62, 3.79 A)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#  100 ILE  QD1         100 ILE  HN          5.00    (#    667:10        Unique  4.14, 5.64 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#    0 AMB  10-2:668      0 AMB  10-1:668    4.50    (#    668:10        Double  0.00, 0.00  )
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1367,1422,
 igr2=1059,1355,
 &end
#
#   93 TYR  HE           84 ASP  HN          5.50    (#    669:10        Unique  2.46, 4.50 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1484,1489,
 &end
#
#   83 ALA  HA           84 ASP  HN          2.80    (#    670:10        Unique  2.15, 2.17 A)
 &rst
  ixpk= 670, nxpk= 10, iat=1347,1355, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   84 ASP  HA           84 ASP  HN          3.00    (#    671:10        Unique  2.78, 2.80 A)
 &rst
  ixpk= 671, nxpk= 10, iat=1357,1355, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   92 VAL  HA           84 ASP  HN          4.00    (#    673:10        Unique  3.06, 3.30 A)
 &rst
  ixpk= 673, nxpk= 10, iat=1460,1355, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASP  HB+          84 ASP  HN          3.00    (#    674:10        Unique  2.30, 2.88 A)
 &rst
  ixpk= 674, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1359,1360,
 &end
#
#   84 ASP  HB-          84 ASP  HN          4.00    (#    675:10        Unique  2.30, 2.88 A)
 &rst
  ixpk= 675, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#   83 ALA  MB            0 AMB  10-1:676    3.00    (#    676:10        Single  0.00, 0.00  )
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1349,1350,1351,
 igr2=1355,1059,
 &end
#
#    0 AMB  10-2:677      0 AMB  10-1:677    5.00    (#    677:10        Double  0.00, 0.00  )
 &rst
  ixpk= 677, nxpk= 10, 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=1355,1059,
 &end
#
#   44 PHE  HD           45 MET  HN          4.00    (#    682:10        Unique  3.09, 4.69 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 714, 722,
 &end
#
#   45 MET  HA           45 MET  HN          4.00    (#    683:10        Unique  2.87, 2.88 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 728, 726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 PHE  HA           45 MET  HN          2.80    (#    684:10        Unique  2.15, 2.18 A)
 &rst
  ixpk= 684, nxpk= 10, iat= 708, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 MET  HG-          45 MET  HN          4.00    (#    685:10        Unique  3.12, 3.34 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#   45 MET  HB+          45 MET  HN          4.00    (#    686:10        Unique  2.15, 2.87 A)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 730, 731,
 &end
#
#   18 ILE  QD1          14 ILE  HN          6.50    (#    687:10        Unique  4.84, 6.17 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 294, 295, 296,
 &end
#
#   15 GLU  HN           14 ILE  HN          3.50    (#    688:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 688, nxpk= 10, iat= 237, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ARG  HN           14 ILE  HN          4.00    (#    689:10        Unique  3.26, 3.28 A)
 &rst
  ixpk= 689, nxpk= 10, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GLU  HA           14 ILE  HN          5.00    (#    690:10        Unique  4.74, 5.00 A)
 &rst
  ixpk= 690, nxpk= 10, iat= 164, 218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ARG  HA           14 ILE  HN          4.00    (#    691:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 691, nxpk= 10, iat= 196, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ILE  HA           14 ILE  HN          3.50    (#    692:10        Unique  2.69, 2.70 A)
 &rst
  ixpk= 692, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ILE  HB           14 ILE  HN          3.00    (#    693:10        Unique  2.12, 2.21 A)
 &rst
  ixpk= 693, nxpk= 10, iat= 222, 218, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   15 GLU  HB-          14 ILE  HN          5.00    (#    694:10        Unique  4.79, 5.34 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 241, 242,
 &end
#
#   13 ARG  HB-          14 ILE  HN          3.00    (#    695:10        Unique  1.83, 2.50 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   13 ARG  HB+          14 ILE  HN          3.00    (#    696:10        Unique  1.83, 2.50 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 198, 199,
 &end
#
#   14 ILE  QD1          14 ILE  HN          4.00    (#    697:10        Unique  3.66, 5.08 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#   14 ILE  QG2          14 ILE  HN          4.00    (#    698:10        Unique  3.14, 4.10 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 224, 225, 226,
 &end
#
#   34 TYR  HN           33 TYR  HN          3.50    (#    699:10        Unique  2.81, 2.94 A)
 &rst
  ixpk= 699, nxpk= 10, iat= 539, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           33 TYR  HN          3.50    (#    700:10        Unique  2.73, 2.77 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 TRP  HB-          33 TYR  HN          3.00    (#    701:10        Unique  2.24, 2.77 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   33 TYR  HB+          33 TYR  HN          3.00    (#    702:10        Unique  2.29, 2.54 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 522, 523,
 &end
#
#   78 MET  ME           33 TYR  HN          4.00    (#    703:10        Unique  1.86, 3.27 A)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#   45 MET  HB-          45 MET  HN          3.00    (#    704:10        Unique  2.15, 2.87 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 730, 731,
 &end
#
#   44 PHE  HB-          45 MET  HN          4.00    (#    705:10        Unique  3.01, 3.77 A)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 710, 711,
 &end
#
#   45 MET  HG+          45 MET  HN          4.00    (#    706:10        Unique  3.12, 3.34 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 733, 734,
 &end
#
#  105 VAL  MGY          45 MET  HN          4.00    (#    707:10        Unique  4.19, 6.36 A)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   32 TRP  HN           33 TYR  HN          3.50    (#    708:10        Unique  2.85, 2.99 A)
 &rst
  ixpk= 708, nxpk= 10, iat= 494, 518, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HD           33 TYR  HN          5.00    (#    709:10        Unique  4.56, 4.70 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 526, 535,
 &end
#
#   30 MET  HA           33 TYR  HN          4.00    (#    710:10        Unique  3.93, 4.18 A)
 &rst
  ixpk= 710, nxpk= 10, iat= 472, 518, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 TRP  HA           33 TYR  HN          4.20    (#    711:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 711, nxpk= 10, iat= 496, 518, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   39 THR  HN           40 LEU  HN          3.00    (#    712:10        Unique  2.24, 2.58 A)
 &rst
  ixpk= 712, nxpk= 10, iat= 624, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 ASP  HA           40 LEU  HN          4.00    (#    714:10        Unique  3.05, 3.52 A)
 &rst
  ixpk= 714, nxpk= 10, iat= 602, 638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:715     40 LEU  HN          3.00    (#    715:10        Single  0.00, 0.00  )
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 640, 583,
 &end
#
#   39 THR  HB           40 LEU  HN          3.00    (#    716:10        Unique  2.05, 2.51 A)
 &rst
  ixpk= 716, nxpk= 10, iat= 628, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:717     40 LEU  HN          5.00    (#    717:10        Single  0.00, 0.00  )
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 585, 586, 661, 662,
 &end
#
#    0 AMB  10-2:718     40 LEU  HN          3.00    (#    718:10        Single  0.00, 0.00  )
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 645, 661, 662,
 &end
#
#   40 LEU  HB+          40 LEU  HN          3.00    (#    719:10        Unique  2.10, 2.83 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 642, 643,
 &end
#
#   39 THR  MG2          40 LEU  HN          3.40    (#    720:10        Unique  2.83, 3.94 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 630, 631, 632,
 &end
#
#   40 LEU  MDY          40 LEU  HN          4.00    (#    721:10        Unique  2.04, 3.86 A)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#  109 THR  MG2          40 LEU  HN          5.00    (#    722:10        Unique  4.48, 6.10 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1716,1717,1718,
 &end
#
#   40 LEU  HB-          40 LEU  HN          4.00    (#    723:10        Unique  2.10, 2.83 A)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#   39 THR  HA           40 LEU  HN          4.00    (#    724:10        Unique  3.48, 3.55 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 626, 638, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LYS  HN           77 ASP  HN          2.80    (#    726:10        Unique  1.76, 1.99 A)
 &rst
  ixpk= 726, nxpk= 10, iat=1226,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 LEU  HN           77 ASP  HN          4.00    (#    727:10        Unique  2.92, 3.32 A)
 &rst
  ixpk= 727, nxpk= 10, iat=1207,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 TYR  HD           77 ASP  HN          5.00    (#    728:10        Unique  4.14, 6.20 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1285,1294,
 &end
#
#   79 TYR  HE           77 ASP  HN          4.00    (#    729:10        Unique  3.04, 5.81 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1287,1292,
 &end
#
#   74 CYS  HA           77 ASP  HN          4.00    (#    730:10        Unique  2.98, 3.66 A)
 &rst
  ixpk= 730, nxpk= 10, iat=1198,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 LYS  HA           77 ASP  HN          4.00    (#    731:10        Unique  3.51, 3.54 A)
 &rst
  ixpk= 731, nxpk= 10, iat=1228,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 ASP  HA           77 ASP  HN          3.00    (#    732:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 732, nxpk= 10, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 ASP  HB+          77 ASP  HN          4.00    (#    733:10        Unique  2.45, 3.36 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   77 ASP  HB-          77 ASP  HN          4.00    (#    734:10        Unique  2.45, 3.36 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   76 LYS  HB+          77 ASP  HN          4.00    (#    735:10        Unique  2.35, 3.34 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#   76 LYS  HB-          77 ASP  HN          3.80    (#    736:10        Unique  2.35, 3.34 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1230,1231,
 &end
#
#   76 LYS  HG+          77 ASP  HN          5.00    (#    737:10        Unique  1.88, 3.95 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1233,1234,
 &end
#
#   89 ASP  HA           89 ASP  HN          3.20    (#    739:10        Unique  2.28, 2.29 A)
 &rst
  ixpk= 739, nxpk= 10, iat=1424,1422, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   88 LYS  HA           89 ASP  HN          4.80    (#    740:10        Unique  3.45, 3.48 A)
 &rst
  ixpk= 740, nxpk= 10, iat=1402,1422, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   89 ASP  HB+          89 ASP  HN          4.00    (#    741:10        Unique  3.18, 3.69 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1426,1427,
 &end
#
#   84 ASP  HB-          89 ASP  HN          4.00    (#    742:10        Unique  2.17, 3.33 A)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1359,1360,
 &end
#
#   88 LYS  HB+          89 ASP  HN          4.50    (#    743:10        Unique  2.67, 3.52 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1404,1405,
 &end
#
#   88 LYS  HB-          89 ASP  HN          4.50    (#    744:10        Unique  2.67, 3.52 A)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1404,1405,
 &end
#
#  109 THR  HA          109 THR  HN          3.50    (#    746:10        Unique  2.77, 2.79 A)
 &rst
  ixpk= 746, nxpk= 10, iat=1712,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:747    109 THR  HN          5.00    (#    747:10        Single  0.00, 0.00  )
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1728,1729,1745,1746,
 &end
#
#  105 VAL  MGX         109 THR  HN          4.00    (#    748:10        Unique  4.80, 6.25 A)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#    0 AMB  10-2:749    109 THR  HN          3.00    (#    749:10        Single  0.00, 0.00  )
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1698,1674,
 &end
#
#  110 GLN  HN          109 THR  HN          3.50    (#    750:10        Unique  2.89, 2.96 A)
 &rst
  ixpk= 750, nxpk= 10, iat=1724,1710, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ASP  HA          109 THR  HN          4.00    (#    752:10        Unique  3.56, 3.56 A)
 &rst
  ixpk= 752, nxpk= 10, iat=1700,1710, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 THR  HB          109 THR  HN          3.00    (#    753:10        Unique  2.34, 2.46 A)
 &rst
  ixpk= 753, nxpk= 10, iat=1714,1710, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:754    109 THR  HN          5.00    (#    754:10        Single  0.00, 0.00  )
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 640,1726,
 &end
#
#    0 AMB  10-2:755    109 THR  HN          3.00    (#    755:10        Single  0.00, 0.00  )
 &rst
  ixpk= 755, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1702,1703,1678,1679,
 &end
#
#  108 ASP  HB-         109 THR  HN          4.00    (#    756:10        Unique  2.52, 2.89 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1702,1703,
 &end
#
#    0 AMB  10-2:757    109 THR  HN          5.00    (#    757:10        Single  0.00, 0.00  )
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1662, 661, 662,1728,1729,
 &end
#
#  109 THR  MG2         109 THR  HN          4.00    (#    758:10        Unique  4.32, 4.51 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1710, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#   21 ASP  HN           20 VAL  HN          4.50    (#    759:10        Unique  3.90, 4.00 A)
 &rst
  ixpk= 759, nxpk= 10, iat= 335, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HN           20 VAL  HN          3.00    (#    760:10        Unique  1.87, 2.20 A)
 &rst
  ixpk= 760, nxpk= 10, iat= 300, 319, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  HA           20 VAL  HN          4.00    (#    761:10        Unique  3.41, 3.51 A)
 &rst
  ixpk= 761, nxpk= 10, iat= 302, 319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HA           20 VAL  HN          2.80    (#    762:10        Unique  2.28, 2.28 A)
 &rst
  ixpk= 762, nxpk= 10, iat= 321, 319, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   20 VAL  HB           20 VAL  HN          3.00    (#    763:10        Unique  3.56, 3.64 A)
 &rst
  ixpk= 763, nxpk= 10, iat= 323, 319, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   19 ILE  QG2          20 VAL  HN          5.00    (#    764:10        Unique  4.53, 5.02 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:765     20 VAL  HN          4.50    (#    765:10        Single  0.00, 0.00  )
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   19 ILE  HB           20 VAL  HN          5.00    (#    766:10        Unique  2.75, 3.42 A)
 &rst
  ixpk= 766, nxpk= 10, iat= 304, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 ILE  HG1+         20 VAL  HN          4.00    (#    767:10        Unique  1.73, 3.06 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 310, 311,
 &end
#
#  107 ASP  HN          108 ASP  HN          3.00    (#    768:10        Unique  2.53, 2.59 A)
 &rst
  ixpk= 768, nxpk= 10, iat=1686,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          108 ASP  HN          3.00    (#    769:10        Unique  2.81, 2.90 A)
 &rst
  ixpk= 769, nxpk= 10, iat=1710,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  108 ASP  HA          108 ASP  HN          3.00    (#    770:10        Unique  2.75, 2.77 A)
 &rst
  ixpk= 770, nxpk= 10, iat=1700,1698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          108 ASP  HN          4.00    (#    771:10        Unique  3.54, 3.55 A)
 &rst
  ixpk= 771, nxpk= 10, iat=1688,1698, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 THR  HA            0 AMB  10-1:772    5.00    (#    772:10        Single  0.00, 0.00  )
 &rst
  ixpk= 772, nxpk= 10, iat=1712,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1674,1698,
 &end
#
#    0 AMB  10-2:773      0 AMB  10-1:773    3.80    (#    773:10        Double  0.00, 0.00  )
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1702,1703,1678,1679,
 igr2=1698,1674,
 &end
#
#  108 ASP  HB-         108 ASP  HN          3.00    (#    774:10        Unique  2.07, 2.76 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1702,1703,
 &end
#
#  107 ASP  HB-         108 ASP  HN          3.00    (#    775:10        Unique  2.30, 2.96 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#   39 THR  MG2         108 ASP  HN          5.00    (#    776:10        Unique  4.95, 5.63 A)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1,1698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 630, 631, 632,
 &end
#
#    0 AMB  10-2:777     92 VAL  HN          6.00    (#    777:10        Single  0.00, 0.00  )
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1349,1350,1351,1407,1408,
 &end
#
#   93 TYR  HN           92 VAL  HN          6.00    (#    778:10        Unique  4.27, 4.32 A)
 &rst
  ixpk= 778, nxpk= 10, iat=1474,1458, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 ASP  HN           92 VAL  HN          4.40    (#    779:10        Unique  4.52, 4.56 A)
 &rst
  ixpk= 779, nxpk= 10, iat=1446,1458, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    0 AMB  10-2:781     92 VAL  HN          2.80    (#    781:10        Single  0.00, 0.00  )
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1448,1460,
 &end
#
#   91 ASP  HB-          92 VAL  HN          4.00    (#    782:10        Unique  2.82, 3.61 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1450,1451,
 &end
#
#   92 VAL  HB           92 VAL  HN          3.00    (#    783:10        Unique  3.20, 3.55 A)
 &rst
  ixpk= 783, nxpk= 10, iat=1462,1458, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:784     92 VAL  HN          4.00    (#    784:10        Single  0.00, 0.00  )
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,1458, 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
#
#   46 GLY  HN           47 LYS  HN          5.00    (#    785:10        Unique  4.26, 4.40 A)
 &rst
  ixpk= 785, nxpk= 10, iat= 743, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:787     47 LYS  HN          3.00    (#    787:10        Single  0.00, 0.00  )
 &rst
  ixpk= 787, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 745, 746, 752,
 &end
#
#  102 ALA  HA           47 LYS  HN          5.00    (#    788:10        Unique  3.61, 4.00 A)
 &rst
  ixpk= 788, nxpk= 10, iat=1619, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   46 GLY  HA+          47 LYS  HN          3.00    (#    789:10        Unique  2.15, 2.59 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 745, 746,
 &end
#
#  101 GLU  HB+          47 LYS  HN          3.50    (#    790:10        Unique  1.82, 3.03 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1607,
 &end
#
#  101 GLU  HB-          47 LYS  HN          3.50    (#    791:10        Unique  1.82, 3.03 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1606,1607,
 &end
#
#   47 LYS  HB+          47 LYS  HN          3.50    (#    792:10        Unique  2.14, 2.70 A)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 754, 755,
 &end
#
#   47 LYS  HB-          47 LYS  HN          3.50    (#    793:10        Unique  2.14, 2.70 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 754, 755,
 &end
#
#    0 AMB  10-2:794     47 LYS  HN          4.00    (#    794:10        Single  0.00, 0.00  )
 &rst
  ixpk= 794, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1637,1638, 760, 761,
 &end
#
#    0 AMB  10-2:795     47 LYS  HN          4.80    (#    795:10        Single  0.00, 0.00  )
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1593,1594, 757, 758,
 &end
#
#  103 ILE  HG1+         47 LYS  HN          5.00    (#    796:10        Unique  2.38, 4.37 A)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1637,1638,
 &end
#
#  100 ILE  QG2          47 LYS  HN          4.00    (#    797:10        Unique  3.57, 4.98 A)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1589,1590,1591,
 &end
#
#  105 VAL  HN          106 ASP  HN          5.00    (#    799:10        Unique  4.38, 4.44 A)
 &rst
  ixpk= 799, nxpk= 10, iat=1658,1674, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  106 ASP  HA          106 ASP  HN          3.00    (#    801:10        Unique  2.88, 2.92 A)
 &rst
  ixpk= 801, nxpk= 10, iat=1676,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HB          106 ASP  HN          3.00    (#    802:10        Unique  2.20, 2.55 A)
 &rst
  ixpk= 802, nxpk= 10, iat=1714,1674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:803      0 AMB  10-1:803    3.00    (#    803:10        Double  0.00, 0.00  )
 &rst
  ixpk= 803, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1678,1679,1678,1679,
 igr2=1674,1698,
 &end
#
#    0 AMB  10-2:804      0 AMB  10-1:804    4.80    (#    804:10        Double  0.00, 0.00  )
 &rst
  ixpk= 804, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1=1728,1729,1745,1746,1728,1729,
 igr2=1674,1698,
 &end
#
#  105 VAL  HB          106 ASP  HN          4.00    (#    805:10        Unique  1.94, 2.15 A)
 &rst
  ixpk= 805, nxpk= 10, iat=1662,1674, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  123 GLY  HA+         124 TYR  HN          4.00    (#    807:10        Unique  2.25, 3.00 A)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1950,1951,
 &end
#
#    0 AMB  10-2:811     52 SER  HN          5.00    (#    811:10        Single  0.00, 0.00  )
 &rst
  ixpk= 811, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 842, 935,
 &end
#
#   52 SER  HB+          52 SER  HN          5.00    (#    812:10        Unique  3.08, 3.58 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 866, 867,
 &end
#
#  123 GLY  HN          124 TYR  HN          3.00    (#    814:10        Unique  1.67, 2.92 A)
 &rst
  ixpk= 814, nxpk= 10, iat=1948,1955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HE          124 TYR  HN          5.50    (#    815:10        Unique  3.99, 5.10 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1965,1970,
 &end
#
#  124 TYR  HD          124 TYR  HN          3.20    (#    816:10        Unique  1.73, 3.41 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1963,1972,
 &end
#
#  124 TYR  HA          124 TYR  HN          3.00    (#    817:10        Unique  2.28, 2.70 A)
 &rst
  ixpk= 817, nxpk= 10, iat=1957,1955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 TRP  HA          124 TYR  HN          6.00    (#    818:10        Unique  5.18, 5.64 A)
 &rst
  ixpk= 818, nxpk= 10, iat=1873,1955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 GLY  HA-         124 TYR  HN          4.00    (#    819:10        Unique  2.25, 3.00 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1950,1951,
 &end
#
#  124 TYR  HB+         124 TYR  HN          4.50    (#    820:10        Unique  2.39, 3.11 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1959,1960,
 &end
#
#  124 TYR  HB-         124 TYR  HN          3.00    (#    821:10        Unique  2.39, 3.11 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#    0 AMB  10-2:822    124 TYR  HN          4.00    (#    822:10        Single  0.00, 0.00  )
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1928,1929,
 &end
#
#  122 ARG  HB-         124 TYR  HN          4.00    (#    823:10        Unique  3.20, 5.40 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1928,1929,
 &end
#
#   24 ASP  HB+          25 LYS  HN          3.00    (#    824:10        Unique  2.11, 3.36 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 376, 377,
 &end
#
#   24 ASP  HA           25 LYS  HN          3.00    (#    825:10        Unique  2.30, 2.36 A)
 &rst
  ixpk= 825, nxpk= 10, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LYS  HB+          25 LYS  HN          4.00    (#    826:10        Unique  2.46, 3.09 A)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 388, 389,
 &end
#
#   25 LYS  HG+          25 LYS  HN          3.50    (#    827:10        Unique  1.82, 3.07 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 391, 392,
 &end
#
#   25 LYS  HG-          25 LYS  HN          4.00    (#    828:10        Unique  1.82, 3.07 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 391, 392,
 &end
#
#    0 AMB  10-2:831     90 ASP  HN          3.50    (#    831:10        Single  0.00, 0.00  )
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1426,1427,1438,1439,
 &end
#
#   91 ASP  HN           90 ASP  HN          3.00    (#    832:10        Unique  1.86, 2.33 A)
 &rst
  ixpk= 832, nxpk= 10, iat=1446,1434, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:833     90 ASP  HN          4.00    (#    833:10        Single  0.00, 0.00  )
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1434, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1424,1448,
 &end
#
#  110 GLN  HN          111 GLU  HN          3.50    (#    834:10        Unique  3.00, 3.03 A)
 &rst
  ixpk= 834, nxpk= 10, iat=1724,1741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 ALA  HN          111 GLU  HN          3.00    (#    835:10        Unique  2.87, 3.00 A)
 &rst
  ixpk= 835, nxpk= 10, iat=1756,1741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HA          111 GLU  HN          3.00    (#    836:10        Unique  2.70, 2.71 A)
 &rst
  ixpk= 836, nxpk= 10, iat=1743,1741, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  111 GLU  HG+         111 GLU  HN          3.00    (#    837:10        Unique  2.11, 2.90 A)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1748,1749,
 &end
#
#    0 AMB  10-2:838    111 GLU  HN          3.50    (#    838:10        Single  0.00, 0.00  )
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1728,1729,1745,1746,
 &end
#
#  110 GLN  HB-         111 GLU  HN          3.00    (#    839:10        Unique  2.07, 2.75 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1728,1729,
 &end
#
#  110 GLN  HA          111 GLU  HN          4.00    (#    840:10        Unique  3.57, 3.57 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1726,1741, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  112 ALA  MB          111 GLU  HN          6.00    (#    841:10        Unique  4.70, 5.68 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1760,1761,1762,
 &end
#
#    0 AMB  10-2:844     63 VAL  HN          3.00    (#    844:10        Single  0.00, 0.00  )
 &rst
  ixpk= 844, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 752, 745, 746,
 &end
#
#   63 VAL  MGY          63 VAL  HN          4.00    (#    845:10        Unique  2.19, 3.56 A)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HN           63 VAL  HN          5.00    (#    846:10        Unique  3.59, 3.91 A)
 &rst
  ixpk= 846, nxpk= 10, iat= 772,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:847     63 VAL  HN          5.00    (#    847:10        Single  0.00, 0.00  )
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1029,1059,1345,
 &end
#
#   62 THR  HA           63 VAL  HN          2.80    (#    848:10        Unique  2.14, 2.15 A)
 &rst
  ixpk= 848, nxpk= 10, iat=1031,1043, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   62 THR  HB           63 VAL  HN          5.00    (#    850:10        Unique  3.81, 4.10 A)
 &rst
  ixpk= 850, nxpk= 10, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 MET  ME           63 VAL  HN          4.00    (#    851:10        Unique  2.02, 3.09 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 737, 738, 739,
 &end
#
#    0 AMB  10-2:852     63 VAL  HN          3.80    (#    852:10        Single  0.00, 0.00  )
 &rst
  ixpk= 852, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1035,1036,1037,1377,1378,
 &end
#
#  108 ASP  HN          107 ASP  HN          3.00    (#    854:10        Unique  2.53, 2.59 A)
 &rst
  ixpk= 854, nxpk= 10, iat=1698,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HA          107 ASP  HN          3.00    (#    855:10        Unique  2.71, 2.74 A)
 &rst
  ixpk= 855, nxpk= 10, iat=1676,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          107 ASP  HN          3.00    (#    856:10        Unique  2.84, 2.86 A)
 &rst
  ixpk= 856, nxpk= 10, iat=1688,1686, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HB+         107 ASP  HN          3.00    (#    857:10        Unique  2.08, 2.89 A)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1678,1679,
 &end
#
#    0 AMB  10-2:858    107 ASP  HN          3.00    (#    858:10        Single  0.00, 0.00  )
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1678,1679,1690,1691,
 &end
#
#  107 ASP  HB-         107 ASP  HN          3.00    (#    859:10        Unique  2.09, 2.94 A)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1,1686, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1690,1691,
 &end
#
#  111 GLU  HN          110 GLN  HN          3.00    (#    864:10        Unique  3.00, 3.03 A)
 &rst
  ixpk= 864, nxpk= 10, iat=1741,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HN          110 GLN  HN          3.00    (#    865:10        Unique  2.89, 2.96 A)
 &rst
  ixpk= 865, nxpk= 10, iat=1710,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  107 ASP  HA          110 GLN  HN          4.00    (#    866:10        Unique  3.86, 3.93 A)
 &rst
  ixpk= 866, nxpk= 10, iat=1688,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  109 THR  HB          110 GLN  HN          2.80    (#    867:10        Unique  2.17, 2.22 A)
 &rst
  ixpk= 867, nxpk= 10, iat=1714,1724, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  110 GLN  HA          110 GLN  HN          3.00    (#    868:10        Unique  2.74, 2.75 A)
 &rst
  ixpk= 868, nxpk= 10, iat=1726,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  109 THR  HA          110 GLN  HN          4.00    (#    869:10        Unique  3.57, 3.57 A)
 &rst
  ixpk= 869, nxpk= 10, iat=1712,1724, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:870      0 AMB  10-1:870    4.80    (#    870:10        Double  0.00, 0.00  )
 &rst
  ixpk= 870, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1= 428, 429,1731,1732,1731,1732,
 igr2= 372,1724,
 &end
#
#    0 AMB  10-2:871    110 GLN  HN          3.00    (#    871:10        Single  0.00, 0.00  )
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1728,1729,1662,
 &end
#
#    0 AMB  10-2:872      0 AMB  10-1:872    5.00    (#    872:10        Double  0.00, 0.00  )
 &rst
  ixpk= 872, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1770, 645, 661, 662, 394, 395,
 igr2=1724, 372,
 &end
#
#  105 VAL  MGX         110 GLN  HN          3.00    (#    873:10        Unique  2.60, 4.40 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  109 THR  MG2         110 GLN  HN          4.00    (#    874:10        Unique  2.57, 3.68 A)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1724, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#  126 PHE  HN           32 TRP  HE1         5.70    (#    875:10        Unique  7.83, 8.54 A)
 &rst
  ixpk= 875, nxpk= 10, iat=1998, 504, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#   32 TRP  HZ2          32 TRP  HE1         3.50    (#    876:10        Unique  2.82, 2.82 A)
 &rst
  ixpk= 876, nxpk= 10, iat= 507, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 TRP  HZ2          32 TRP  HE1         4.00    (#    878:10        Unique  4.46, 4.65 A)
 &rst
  ixpk= 878, nxpk= 10, iat=1884, 504, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 TRP  HD1          32 TRP  HE1         3.00    (#    879:10        Unique  2.57, 2.57 A)
 &rst
  ixpk= 879, nxpk= 10, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:881     32 TRP  HE1         6.00    (#    881:10        Single  0.00, 0.00  )
 &rst
  ixpk= 881, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 224, 225, 226, 285,
 &end
#
#   19 ILE  QD1          32 TRP  HE1         3.50    (#    882:10        Unique  1.93, 2.99 A)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  QG2          32 TRP  HE1         4.00    (#    883:10        Unique  2.64, 4.14 A)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 306, 307, 308,
 &end
#
#   18 ILE  QG2          32 TRP  HE1         6.00    (#    884:10        Unique  3.09, 3.97 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#    0 AMB  10-2:885     27 GLU  HN          3.00    (#    885:10        Single  0.00, 0.00  )
 &rst
  ixpk= 885, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 406, 436,
 &end
#
#   24 ASP  HN           27 GLU  HN          4.00    (#    886:10        Unique  3.83, 3.93 A)
 &rst
  ixpk= 886, nxpk= 10, iat= 372, 421, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:887      0 AMB  10-1:887    7.00    (#    887:10        Double  0.00, 0.00  )
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 923, 386, 349,
 igr2= 897, 421,
 &end
#
#    0 AMB  10-2:888     27 GLU  HN          3.00    (#    888:10        Single  0.00, 0.00  )
 &rst
  ixpk= 888, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 423, 408,
 &end
#
#   27 GLU  HG-          27 GLU  HN          3.00    (#    889:10        Unique  1.90, 2.72 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 428, 429,
 &end
#
#   27 GLU  HG+          27 GLU  HN          3.00    (#    890:10        Unique  1.90, 2.72 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 428, 429,
 &end
#
#   26 GLU  HB-          27 GLU  HN          3.00    (#    891:10        Unique  2.10, 2.73 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#   22 ALA  MB           27 GLU  HN          5.00    (#    892:10        Unique  4.84, 5.62 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#    0 AMB  10-2:894     24 ASP  HN          4.00    (#    894:10        Single  0.00, 0.00  )
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 436, 384,
 &end
#
#    0 AMB  10-2:896      0 AMB  10-1:896    3.00    (#    896:10        Double  0.00, 0.00  )
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 425, 426,1728,1729,
 igr2= 372,1724,
 &end
#
#   23 GLU  HA           24 ASP  HN          4.00    (#    898:10        Unique  3.25, 3.32 A)
 &rst
  ixpk= 898, nxpk= 10, iat= 359, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:899     24 ASP  HN          5.50    (#    899:10        Single  0.00, 0.00  )
 &rst
  ixpk= 899, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 423, 408,
 &end
#
#   24 ASP  HB+          24 ASP  HN          3.50    (#    900:10        Unique  2.13, 2.79 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#   22 ALA  MB           24 ASP  HN          4.00    (#    902:10        Unique  4.10, 4.81 A)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 351, 352, 353,
 &end
#
#   28 ARG  HN           24 ASP  HN          4.00    (#    903:10        Unique  3.27, 3.60 A)
 &rst
  ixpk= 903, nxpk= 10, iat= 436, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HA           24 ASP  HN          3.00    (#    904:10        Unique  2.89, 2.89 A)
 &rst
  ixpk= 904, nxpk= 10, iat= 374, 372, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   16 THR  HN           17 GLU  HN          4.50    (#    905:10        Unique  2.68, 2.80 A)
 &rst
  ixpk= 905, nxpk= 10, iat= 252, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ILE  HN           17 GLU  HN          4.00    (#    906:10        Unique  1.69, 1.77 A)
 &rst
  ixpk= 906, nxpk= 10, iat= 281, 266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HA           17 GLU  HN          4.50    (#    908:10        Unique  2.92, 2.93 A)
 &rst
  ixpk= 908, nxpk= 10, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 THR  HA           17 GLU  HN          4.50    (#    909:10        Unique  2.87, 2.95 A)
 &rst
  ixpk= 909, nxpk= 10, iat= 254, 266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 GLU  HG-          17 GLU  HN          5.00    (#    911:10        Unique  2.90, 3.52 A)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 273, 274,
 &end
#
#   17 GLU  HB+          17 GLU  HN          5.00    (#    912:10        Unique  2.76, 3.34 A)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#   17 GLU  HB-          17 GLU  HN          5.00    (#    913:10        Unique  2.76, 3.34 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#    0 AMB  10-2:914     17 GLU  HN          6.00    (#    914:10        Single  0.00, 0.00  )
 &rst
  ixpk= 914, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 310, 311, 285,
 &end
#
#    0 AMB  10-2:915     17 GLU  HN          6.00    (#    915:10        Single  0.00, 0.00  )
 &rst
  ixpk= 915, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 313, 314, 315, 258, 259, 260,
 &end
#
#    0 AMB  10-2:916     17 GLU  HN          6.00    (#    916:10        Single  0.00, 0.00  )
 &rst
  ixpk= 916, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331,
 &end
#
#   16 THR  HB           17 GLU  HN          6.00    (#    917:10        Unique  4.51, 4.54 A)
 &rst
  ixpk= 917, nxpk= 10, iat= 256, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 GLU  HA           73 GLU  HN          3.00    (#    918:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 918, nxpk= 10, iat=1183,1181, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 TYR  HB-          73 GLU  HN          7.50    (#    919:10        Unique  5.82, 8.04 A)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1281,1282,
 &end
#
#   72 ASP  HB-          73 GLU  HN          4.00    (#    920:10        Unique  3.06, 4.19 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1173,1174,
 &end
#
#    0 AMB  10-2:921     73 GLU  HN          4.80    (#    921:10        Single  0.00, 0.00  )
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1150,1151,1161,1162,
 &end
#
#    0 AMB  10-2:922     74 CYS  HN          5.00    (#    922:10        Single  0.00, 0.00  )
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1169,1133,
 &end
#
#   73 GLU  HN           74 CYS  HN          3.00    (#    923:10        Unique  1.98, 2.13 A)
 &rst
  ixpk= 923, nxpk= 10, iat=1181,1196, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 LEU  HN           74 CYS  HN          4.00    (#    924:10        Unique  3.63, 3.93 A)
 &rst
  ixpk= 924, nxpk= 10, iat=1207,1196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 CYS  HA           74 CYS  HN          3.50    (#    925:10        Unique  2.81, 2.86 A)
 &rst
  ixpk= 925, nxpk= 10, iat=1198,1196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   73 GLU  HA           74 CYS  HN          4.00    (#    927:10        Unique  3.52, 3.56 A)
 &rst
  ixpk= 927, nxpk= 10, iat=1183,1196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP  HA           74 CYS  HN          5.00    (#    928:10        Unique  4.60, 4.97 A)
 &rst
  ixpk= 928, nxpk= 10, iat=1171,1196, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 CYS  HB+          74 CYS  HN          4.00    (#    929:10        Unique  2.45, 3.14 A)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1200,1201,
 &end
#
#   71 ASP  HA           74 CYS  HN          4.50    (#    930:10        Unique  2.82, 3.52 A)
 &rst
  ixpk= 930, nxpk= 10, iat=1159,1196, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 CYS  HB-          74 CYS  HN          4.00    (#    931:10        Unique  2.45, 3.14 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1200,1201,
 &end
#
#    0 AMB  10-2:932     74 CYS  HN          3.50    (#    932:10        Single  0.00, 0.00  )
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1185,1186,1188,1189,
 &end
#
#   73 GLU  HB-          74 CYS  HN          4.00    (#    933:10        Unique  2.33, 3.01 A)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1185,1186,
 &end
#
#    0 AMB  10-2:934     74 CYS  HN          5.00    (#    934:10        Single  0.00, 0.00  )
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1127,1128,1129,1211,1212,1236,1237,
 &end
#
#    0 AMB  10-2:935     74 CYS  HN          5.50    (#    935:10        Single  0.00, 0.00  )
 &rst
  ixpk= 935, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1214, 481, 482, 483,
 &end
#
#   75 LEU  MDX          74 CYS  HN          5.00    (#    936:10        Unique  4.09, 5.79 A)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#    5 GLU  HN            4 VAL  HN          5.00    (#    937:10        Unique  2.30, 2.61 A)
 &rst
  ixpk= 937, nxpk= 10, iat=  58,  42, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 VAL  HA            4 VAL  HN          3.00    (#    939:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 939, nxpk= 10, iat=  44,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:940      4 VAL  HN          4.00    (#    940:10        Single  0.00, 0.00  )
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  35,  36,  35,  36,
 &end
#
#  122 ARG  HD+           4 VAL  HN          5.00    (#    942:10        Unique  3.80, 4.96 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1934,1935,
 &end
#
#    4 VAL  HB            4 VAL  HN          3.50    (#    943:10        Unique  2.71, 2.87 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  46,  42, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 ALA  MB            4 VAL  HN          4.00    (#    944:10        Unique  2.68, 4.24 A)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
#    4 VAL  MGY           4 VAL  HN          4.00    (#    945:10        Unique  1.94, 3.75 A)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   72 ASP  HN           73 GLU  HN          3.00    (#    946:10        Unique  2.45, 2.85 A)
 &rst
  ixpk= 946, nxpk= 10, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           73 GLU  HN          2.80    (#    947:10        Unique  1.98, 2.13 A)
 &rst
  ixpk= 947, nxpk= 10, iat=1196,1181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   72 ASP  HA           73 GLU  HN          3.50    (#    948:10        Unique  2.82, 3.03 A)
 &rst
  ixpk= 948, nxpk= 10, iat=1171,1181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 PRO  HB+          73 GLU  HN          5.00    (#    949:10        Unique  3.77, 5.15 A)
 &rst
  ixpk= 949, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1150,1151,
 &end
#
#   71 ASP  HB-          73 GLU  HN          5.00    (#    950:10        Unique  4.72, 5.17 A)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1161,1162,
 &end
#
#   18 ILE  HG1+         18 ILE  HN          5.00    (#    951:10        Unique  2.27, 3.33 A)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 291, 292,
 &end
#
#   36 LEU  HA           37 ASP  HN          4.00    (#    952:10        Unique  3.55, 3.56 A)
 &rst
  ixpk= 952, nxpk= 10, iat= 583, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 LEU  HN           37 ASP  HN          3.50    (#    953:10        Unique  2.64, 2.77 A)
 &rst
  ixpk= 953, nxpk= 10, iat= 581, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 ASP  HN           37 ASP  HN          3.50    (#    955:10        Unique  2.56, 2.68 A)
 &rst
  ixpk= 955, nxpk= 10, iat= 612, 600, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ASP  HA           37 ASP  HN          3.00    (#    956:10        Unique  2.78, 2.83 A)
 &rst
  ixpk= 956, nxpk= 10, iat= 602, 600, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 ASP  HB+          37 ASP  HN          3.00    (#    957:10        Unique  2.07, 2.67 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#   37 ASP  HB-          37 ASP  HN          3.00    (#    958:10        Unique  2.07, 2.67 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 604, 605,
 &end
#
#    0 AMB  10-2:959     37 ASP  HN          4.00    (#    959:10        Single  0.00, 0.00  )
 &rst
  ixpk= 959, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 585, 586,1123,1124,
 &end
#
#   68 MET  ME           37 ASP  HN          4.00    (#    960:10        Unique  3.08, 5.15 A)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1127,1128,1129,
 &end
#
#   36 LEU  HB+          37 ASP  HN          3.50    (#    961:10        Unique  2.21, 2.94 A)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 585, 586,
 &end
#
#   36 LEU  MDY          37 ASP  HN          5.00    (#    962:10        Unique  2.52, 5.03 A)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  MDX          37 ASP  HN          5.00    (#    963:10        Unique  2.52, 5.03 A)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   11 GLU  HN           12 HIS  HN          4.00    (#    964:10        Unique  3.23, 3.32 A)
 &rst
  ixpk= 964, nxpk= 10, iat= 162, 177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13 ARG  HN           12 HIS  HN          3.50    (#    966:10        Unique  2.94, 2.99 A)
 &rst
  ixpk= 966, nxpk= 10, iat= 194, 177, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 HIS  HA           12 HIS  HN          3.00    (#    967:10        Unique  2.78, 2.81 A)
 &rst
  ixpk= 967, nxpk= 10, iat= 179, 177, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 GLU  HA           12 HIS  HN          4.20    (#    968:10        Unique  3.29, 3.84 A)
 &rst
  ixpk= 968, nxpk= 10, iat= 111, 177, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   12 HIS  HB+          12 HIS  HN          3.00    (#    969:10        Unique  2.22, 2.86 A)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 181, 182,
 &end
#
#   12 HIS  HB-          12 HIS  HN          4.00    (#    970:10        Unique  2.22, 2.86 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 181, 182,
 &end
#
#   11 GLU  HG-          12 HIS  HN          4.20    (#    971:10        Unique  2.52, 4.10 A)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 169, 170,
 &end
#
#   11 GLU  HB+          12 HIS  HN          3.60    (#    972:10        Unique  1.96, 2.58 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 166, 167,
 &end
#
#   17 GLU  HN           18 ILE  HN          4.00    (#    974:10        Unique  1.69, 1.77 A)
 &rst
  ixpk= 974, nxpk= 10, iat= 266, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HN           18 ILE  HN          4.00    (#    975:10        Unique  2.04, 2.44 A)
 &rst
  ixpk= 975, nxpk= 10, iat= 300, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 GLU  HA           18 ILE  HN          5.00    (#    977:10        Unique  3.46, 3.49 A)
 &rst
  ixpk= 977, nxpk= 10, iat= 268, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  HA           18 ILE  HN          4.50    (#    978:10        Unique  2.92, 2.93 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 283, 281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 ILE  HA           18 ILE  HN          5.00    (#    979:10        Unique  2.90, 3.39 A)
 &rst
  ixpk= 979, nxpk= 10, iat= 220, 281, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:980     18 ILE  HN          6.00    (#    980:10        Single  0.00, 0.00  )
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 273, 274, 222,
 &end
#
#   17 GLU  HB+          18 ILE  HN          5.00    (#    981:10        Unique  2.65, 3.36 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#   17 GLU  HB-          18 ILE  HN          5.00    (#    982:10        Unique  2.65, 3.36 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 270, 271,
 &end
#
#   18 ILE  HB           18 ILE  HN          4.00    (#    983:10        Unique  2.36, 2.46 A)
 &rst
  ixpk= 983, nxpk= 10, iat= 285, 281, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:984     18 ILE  HN          5.00    (#    984:10        Single  0.00, 0.00  )
 &rst
  ixpk= 984, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 291, 292, 325, 326, 327, 329, 330, 331,
 &end
#
#   18 ILE  QD1          18 ILE  HN          6.00    (#    985:10        Unique  4.16, 4.81 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  QG2          18 ILE  HN          4.00    (#    986:10        Unique  4.15, 4.53 A)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 287, 288, 289,
 &end
#
#   10 ARG  HN           11 GLU  HN          4.50    (#    988:10        Unique  2.42, 2.49 A)
 &rst
  ixpk= 988, nxpk= 10, iat= 138, 162, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 GLU  HA           11 GLU  HN          4.00    (#    990:10        Unique  3.42, 3.51 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 111, 162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 GLU  HG+          11 GLU  HN          3.80    (#    991:10        Unique  1.97, 3.12 A)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 169, 170,
 &end
#
#   11 GLU  HG-          11 GLU  HN          3.80    (#    992:10        Unique  1.97, 3.12 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 169, 170,
 &end
#
#   11 GLU  HB+          11 GLU  HN          3.00    (#    993:10        Unique  2.27, 2.97 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 166, 167,
 &end
#
#   14 ILE  QG2          11 GLU  HN          6.00    (#    994:10        Unique  4.51, 5.58 A)
 &rst
  ixpk= 994, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 224, 225, 226,
 &end
#
#  118 TYR  HN          117 LEU  HN          3.50    (#    996:10        Unique  2.70, 2.87 A)
 &rst
  ixpk= 996, nxpk= 10, iat=1850,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HN          117 LEU  HN          3.50    (#    997:10        Unique  2.52, 2.74 A)
 &rst
  ixpk= 997, nxpk= 10, iat=1807,1831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  114 ALA  HA          117 LEU  HN          4.00    (#    998:10        Unique  3.23, 3.45 A)
 &rst
  ixpk= 998, nxpk= 10, iat=1787,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:999    117 LEU  HN          3.00    (#    999:10        Single  0.00, 0.00  )
 &rst
  ixpk= 999, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1833,1768,
 &end
#
#  116 TRP  HB+         117 LEU  HN          4.00    (#   1000:10        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1811,1812,
 &end
#
#  116 TRP  HB-         117 LEU  HN          4.00    (#   1001:10        Unique  2.25, 3.28 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1811,1812,
 &end
#
#  117 LEU  HG          117 LEU  HN          3.00    (#   1002:10        Unique  2.16, 2.55 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=1838,1831, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  117 LEU  HB-         117 LEU  HN          3.80    (#   1003:10        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1835,1836,
 &end
#
#  117 LEU  HB+         117 LEU  HN          3.00    (#   1004:10        Unique  2.24, 3.01 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1835,1836,
 &end
#
#  117 LEU  MDX         117 LEU  HN          4.50    (#   1005:10        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#  117 LEU  MDY         117 LEU  HN          3.20    (#   1006:10        Unique  1.94, 4.26 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#   12 HIS  HN           11 GLU  HN          4.00    (#   1007:10        Unique  3.23, 3.32 A)
 &rst
  ixpk= 1007, nxpk= 10, iat= 177, 162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   10 ARG  HB-          11 GLU  HN          4.50    (#   1008:10        Unique  1.96, 2.74 A)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 142, 143,
 &end
#
#   14 ILE  QD1          15 GLU  HN          5.00    (#   1009:10        Unique  5.33, 6.04 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 231, 232, 233,
 &end
#
#    0 AMB  10-2:1010    15 GLU  HN          4.00    (#   1010:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 258, 259, 260, 313, 314, 315,
 &end
#
#   14 ILE  HN           15 GLU  HN          3.50    (#   1011:10        Unique  2.87, 2.89 A)
 &rst
  ixpk= 1011, nxpk= 10, iat= 218, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 THR  HN           15 GLU  HN          3.00    (#   1012:10        Unique  2.47, 2.56 A)
 &rst
  ixpk= 1012, nxpk= 10, iat= 252, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   12 HIS  HA           15 GLU  HN          4.00    (#   1013:10        Unique  3.72, 3.76 A)
 &rst
  ixpk= 1013, nxpk= 10, iat= 179, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HA           15 GLU  HN          3.00    (#   1014:10        Unique  2.85, 2.87 A)
 &rst
  ixpk= 1014, nxpk= 10, iat= 239, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ILE  HA           15 GLU  HN          4.00    (#   1015:10        Unique  3.48, 3.49 A)
 &rst
  ixpk= 1015, nxpk= 10, iat= 220, 237, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HG+          15 GLU  HN          4.00    (#   1016:10        Unique  3.81, 4.17 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 244, 245,
 &end
#
#    8 GLU  HB-           9 THR  HN          5.00    (#   1017:10        Unique  3.41, 3.97 A)
 &rst
  ixpk= 1017, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 113, 114,
 &end
#
#   15 GLU  HB-          15 GLU  HN          3.00    (#   1018:10        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   14 ILE  QG2          15 GLU  HN          3.00    (#   1019:10        Unique  2.16, 3.46 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 224, 225, 226,
 &end
#
#   71 ASP  HN           72 ASP  HN          3.00    (#   1020:10        Unique  2.54, 2.72 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=1157,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 GLU  HN           72 ASP  HN          3.00    (#   1022:10        Unique  2.45, 2.85 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=1181,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 CYS  HN           72 ASP  HN          4.00    (#   1023:10        Unique  4.13, 4.52 A)
 &rst
  ixpk= 1023, nxpk= 10, iat=1196,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   70 PRO  HA           72 ASP  HN          5.00    (#   1025:10        Unique  3.82, 3.93 A)
 &rst
  ixpk= 1025, nxpk= 10, iat=1153,1169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 ASP  HA           72 ASP  HN          3.00    (#   1026:10        Unique  2.77, 2.89 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=1171,1169, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 ASP  HA           72 ASP  HN          4.00    (#   1027:10        Unique  3.28, 3.41 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP  HB-          72 ASP  HN          3.00    (#   1028:10        Unique  2.56, 3.20 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1173,1174,
 &end
#
#   70 PRO  HB+          72 ASP  HN          4.00    (#   1029:10        Unique  2.20, 3.11 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1150,1151,
 &end
#
#    0 AMB  10-2:1030    72 ASP  HN          5.00    (#   1030:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1188,1189,1185,1186,
 &end
#
#    0 AMB  10-2:1031    72 ASP  HN          3.60    (#   1031:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1150,1151,1161,1162,
 &end
#
#  126 PHE  HN          125 LYS  HN          3.00    (#   1032:10        Unique  1.70, 2.38 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=1998,1976, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  124 TYR  HN          125 LYS  HN          5.00    (#   1033:10        Unique  2.92, 3.56 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=1955,1976, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  125 LYS  HB+         125 LYS  HN          3.20    (#   1034:10        Unique  2.77, 3.67 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1980,1981,
 &end
#
#  119 TRP  HZ2         125 LYS  HN          5.00    (#   1035:10        Unique  3.45, 5.30 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=1884,1976, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HE          125 LYS  HN          5.40    (#   1036:10        Unique  3.54, 4.48 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1965,1970,
 &end
#
#  124 TYR  HD          125 LYS  HN          4.00    (#   1037:10        Unique  1.88, 3.26 A)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1963,1972,
 &end
#
#  124 TYR  HA          125 LYS  HN          3.30    (#   1039:10        Unique  2.89, 3.34 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=1957,1976, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    0 AMB  10-2:1040   125 LYS  HN          4.00    (#   1040:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1980,1981,1986,1987,
 &end
#
#  125 LYS  HG+         125 LYS  HN          3.00    (#   1041:10        Unique  2.41, 3.50 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1983,1984,
 &end
#
#  124 TYR  HB+         125 LYS  HN          3.00    (#   1042:10        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1959,1960,
 &end
#
#  124 TYR  HB-         125 LYS  HN          4.00    (#   1043:10        Unique  1.60, 3.11 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1959,1960,
 &end
#
#    4 VAL  MGX         122 ARG  HN          4.00    (#   1044:10        Unique  2.74, 4.67 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#  114 ALA  HN          113 ILE  HN          3.00    (#   1045:10        Unique  2.92, 2.99 A)
 &rst
  ixpk= 1045, nxpk= 10, iat=1785,1766, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1046   113 ILE  HN          3.00    (#   1046:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1768,1726,
 &end
#
#  113 ILE  HG1+        113 ILE  HN          3.80    (#   1047:10        Unique  1.96, 3.10 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1776,1777,
 &end
#
#  113 ILE  HB          113 ILE  HN          3.00    (#   1048:10        Unique  2.42, 2.52 A)
 &rst
  ixpk= 1048, nxpk= 10, iat=1770,1766, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB          113 ILE  HN          3.00    (#   1049:10        Unique  2.19, 3.11 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1760,1761,1762,
 &end
#
#  113 ILE  QG2         113 ILE  HN          4.00    (#   1050:10        Unique  4.35, 4.52 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1772,1773,1774,
 &end
#
#    0 AMB  10-2:1051   113 ILE  HN          5.00    (#   1051:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
      1845,1846,
 &end
#
#    0 AMB  10-2:1052   113 ILE  HN          3.80    (#   1052:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1776,1777, 647, 648, 649, 651, 652, 653,
 &end
#
#  113 ILE  QD1         113 ILE  HN          3.20    (#   1053:10        Unique  2.49, 3.51 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1779,1780,1781,
 &end
#
#    0 AMB  10-2:1056     9 THR  HN          3.00    (#   1056:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 126, 111,
 &end
#
#   10 ARG  HN            9 THR  HN          3.00    (#   1058:10        Unique  2.58, 2.61 A)
 &rst
  ixpk= 1058, nxpk= 10, iat= 138, 124, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    9 THR  HB            9 THR  HN          3.40    (#   1059:10        Unique  2.25, 2.32 A)
 &rst
  ixpk= 1059, nxpk= 10, iat= 128, 124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#    8 GLU  HB-           9 THR  HN          5.00    (#   1061:10        Unique  3.41, 3.97 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 113, 114,
 &end
#
#    9 THR  MG2           9 THR  HN          4.00    (#   1062:10        Unique  2.56, 3.45 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 130, 131, 132,
 &end
#
#   71 ASP  HB+          72 ASP  HN          4.00    (#   1064:10        Unique  3.08, 3.95 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1161,1162,
 &end
#
#  121 ALA  HN          122 ARG  HN          3.00    (#   1065:10        Unique  2.65, 2.88 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=1914,1924, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 GLY  HN          122 ARG  HN          3.50    (#   1066:10        Unique  2.66, 2.82 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=1948,1924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 ALA  HA          122 ARG  HN          4.00    (#   1068:10        Unique  3.41, 3.52 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=1916,1924, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1069   122 ARG  HN          5.00    (#   1069:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1069, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1950,1951,1833,
 &end
#
#  122 ARG  HA          122 ARG  HN          3.00    (#   1070:10        Unique  2.75, 2.85 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=1926,1924, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  122 ARG  HD+         122 ARG  HN          5.00    (#   1071:10        Unique  2.64, 4.67 A)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1934,1935,
 &end
#
#  124 TYR  HN          122 ARG  HN          5.00    (#   1075:10        Unique  3.79, 4.67 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=1955,1924, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1076   113 ILE  HN          5.00    (#   1076:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1,1766, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1789,1790,1791,1545,1546,
 &end
#
#   67 GLY  HA+          68 MET  HN          3.50    (#   1077:10        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1111,1112,
 &end
#
#   68 MET  HB+          68 MET  HN          4.00    (#   1078:10        Unique  2.77, 3.46 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   67 GLY  HA-          68 MET  HN          3.00    (#   1079:10        Unique  2.17, 2.93 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1111,1112,
 &end
#
#   67 GLY  HN           68 MET  HN          4.20    (#   1080:10        Unique  1.83, 3.33 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=1109,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   68 MET  HA           68 MET  HN          3.50    (#   1081:10        Unique  2.27, 2.70 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1118,1116, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  116 TRP  HZ2          78 MET  HN          3.50    (#   1082:10        Unique  2.28, 2.99 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1820,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 MET  HG-          78 MET  HN          3.50    (#   1083:10        Unique  1.95, 3.05 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1267,1268,
 &end
#
#   78 MET  HA           78 MET  HN          3.50    (#   1084:10        Unique  2.84, 2.88 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=1262,1260, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 ASP  HA           78 MET  HN          2.80    (#   1085:10        Unique  2.16, 2.26 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=1250,1260, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 ASP  HB+          78 MET  HN          4.00    (#   1086:10        Unique  2.49, 3.43 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   77 ASP  HB-          78 MET  HN          4.00    (#   1087:10        Unique  2.49, 3.43 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1252,1253,
 &end
#
#   78 MET  HG+          78 MET  HN          3.50    (#   1088:10        Unique  1.95, 3.05 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1267,1268,
 &end
#
#   78 MET  HB-          78 MET  HN          4.00    (#   1089:10        Unique  2.28, 3.10 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1264,1265,
 &end
#
#    0 AMB  10-2:1090    78 MET  HN          6.00    (#   1090:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#   40 LEU  HN           39 THR  HN          3.00    (#   1091:10        Unique  2.24, 2.58 A)
 &rst
  ixpk= 1091, nxpk= 10, iat= 638, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1093    39 THR  HN          4.00    (#   1093:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 602, 659,
 &end
#
#   39 THR  HB           39 THR  HN          3.00    (#   1094:10        Unique  2.30, 2.38 A)
 &rst
  ixpk= 1094, nxpk= 10, iat= 628, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  112 ALA  MB           39 THR  HN          5.00    (#   1095:10        Unique  5.45, 5.99 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1760,1761,1762,
 &end
#
#   38 ASP  HA           39 THR  HN          4.00    (#   1096:10        Unique  3.47, 3.52 A)
 &rst
  ixpk= 1096, nxpk= 10, iat= 614, 624, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  HA           39 THR  HN          3.00    (#   1097:10        Unique  2.83, 2.87 A)
 &rst
  ixpk= 1097, nxpk= 10, iat= 626, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1098    39 THR  HN          4.00    (#   1098:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 583, 640,
 &end
#
#   38 ASP  HB+          39 THR  HN          4.00    (#   1099:10        Unique  2.47, 3.29 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB-          39 THR  HN          4.00    (#   1100:10        Unique  2.47, 3.29 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 616, 617,
 &end
#
#    0 AMB  10-2:1101    39 THR  HN          4.00    (#   1101:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,
 &end
#
#   40 LEU  MDY          39 THR  HN          6.00    (#   1102:10        Unique  4.02, 5.94 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  10-2:1103    82 VAL  HN          5.50    (#   1103:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1474,1509,
 &end
#
#   82 VAL  HA           82 VAL  HN          4.00    (#   1104:10        Unique  2.94, 2.94 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=1331,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   94 THR  HA           82 VAL  HN          4.00    (#   1105:10        Unique  2.97, 3.20 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1497,1329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HA           82 VAL  HN          2.80    (#   1106:10        Unique  2.14, 2.16 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=1316,1329, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:1109    82 VAL  HN          3.00    (#   1109:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1,1329, 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
#
#   82 VAL  MGY          82 VAL  HN          4.00    (#   1110:10        Unique  2.05, 3.72 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   82 VAL  MGX          82 VAL  HN          3.00    (#   1111:10        Unique  2.05, 3.72 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   33 TYR  HN           34 TYR  HN          3.50    (#   1112:10        Unique  2.81, 2.94 A)
 &rst
  ixpk= 1112, nxpk= 10, iat= 518, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HD           34 TYR  HN          4.00    (#   1113:10        Unique  1.98, 3.56 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 547, 556,
 &end
#
#    0 AMB  10-2:1114     0 AMB  10-1:1114   5.00    (#   1114:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1= 568, 577,1287,1292, 549, 554,
 igr2= 539,1260,
 &end
#
#   33 TYR  HD           34 TYR  HN          4.00    (#   1115:10        Unique  3.44, 4.11 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 526, 535,
 &end
#
#   30 MET  HA           34 TYR  HN          4.00    (#   1116:10        Unique  3.62, 3.90 A)
 &rst
  ixpk= 1116, nxpk= 10, iat= 472, 539, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 TYR  HA           34 TYR  HN          3.50    (#   1117:10        Unique  2.68, 2.71 A)
 &rst
  ixpk= 1117, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           34 TYR  HN          4.50    (#   1118:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 1118, nxpk= 10, iat= 520, 539, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 TYR  HB+          34 TYR  HN          3.00    (#   1119:10        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 543, 544,
 &end
#
#   34 TYR  HB-          34 TYR  HN          3.80    (#   1120:10        Unique  2.24, 2.93 A)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 543, 544,
 &end
#
#   33 TYR  HB+          34 TYR  HN          4.00    (#   1121:10        Unique  2.27, 3.09 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 522, 523,
 &end
#
#   78 MET  ME           78 MET  HN          4.00    (#   1122:10        Unique  2.47, 4.10 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#    0 AMB  10-2:1124    94 THR  HN          6.00    (#   1124:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1509,1474,
 &end
#
#   93 TYR  HD           94 THR  HN          6.50    (#   1125:10        Unique  4.49, 4.99 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1482,1491,
 &end
#
#   48 TRP  HH2          94 THR  HN          4.50    (#   1126:10        Unique  3.49, 4.07 A)
 &rst
  ixpk= 1126, nxpk= 10, iat= 787,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 THR  HA           94 THR  HN          3.00    (#   1127:10        Unique  2.93, 2.95 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=1497,1495, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   93 TYR  HA           94 THR  HN          4.50    (#   1128:10        Unique  2.21, 2.45 A)
 &rst
  ixpk= 1128, nxpk= 10, iat=1476,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 THR  HB           94 THR  HN          3.50    (#   1129:10        Unique  2.95, 3.06 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=1499,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 TYR  HB+          94 THR  HN          4.50    (#   1130:10        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1478,1479,
 &end
#
#   93 TYR  HB-          94 THR  HN          4.50    (#   1131:10        Unique  2.40, 2.84 A)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1478,1479,
 &end
#
#   82 VAL  MGX          94 THR  HN          5.00    (#   1133:10        Unique  4.75, 7.00 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#    0 AMB  10-2:1134   120 LEU  HN          3.00    (#   1134:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1914,1871,
 &end
#
#  119 TRP  HD1         120 LEU  HN          3.50    (#   1136:10        Unique  2.50, 2.70 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=1879,1895, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 TRP  HA          120 LEU  HN          4.00    (#   1137:10        Unique  3.42, 3.45 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1873,1895, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  120 LEU  HA          120 LEU  HN          3.00    (#   1138:10        Unique  2.88, 2.91 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=1897,1895, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  119 TRP  HB-         120 LEU  HN          4.00    (#   1139:10        Unique  3.05, 3.85 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1875,1876,
 &end
#
#  120 LEU  HB+         120 LEU  HN          3.00    (#   1140:10        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#  120 LEU  HB-         120 LEU  HN          3.00    (#   1141:10        Unique  2.11, 2.67 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1899,1900,
 &end
#
#  117 LEU  MDY         120 LEU  HN          5.00    (#   1142:10        Unique  5.69, 7.39 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#    0 AMB  10-2:1143   120 LEU  HN          4.00    (#   1143:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,1895, 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
#
#    2 ALA  HA            3 SER  HN          4.00    (#   1144:10        Unique  2.15, 2.50 A)
 &rst
  ixpk= 1144, nxpk= 10, iat=  23,  31, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1147    57 THR  HN          6.50    (#   1147:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 950, 951, 952, 925, 926, 927,
 &end
#
#    0 AMB  10-2:1149    57 THR  HN          5.50    (#   1149:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 946, 935,
 &end
#
#   57 THR  HB           57 THR  HN          5.50    (#   1150:10        Unique  2.29, 2.65 A)
 &rst
  ixpk= 1150, nxpk= 10, iat= 948, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 LYS  HA           76 LYS  HN          3.50    (#   1151:10        Unique  2.80, 2.88 A)
 &rst
  ixpk= 1151, nxpk= 10, iat=1228,1226, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HA           30 MET  HN          3.50    (#   1154:10        Unique  2.79, 2.80 A)
 &rst
  ixpk= 1154, nxpk= 10, iat= 472, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1155    30 MET  HN          4.00    (#   1155:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 462, 522, 523,
 &end
#
#   30 MET  HB-          30 MET  HN          3.50    (#   1156:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   29 ALA  MB           30 MET  HN          3.00    (#   1157:10        Unique  2.75, 3.57 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 464, 465, 466,
 &end
#
#   29 ALA  HN           30 MET  HN          3.20    (#   1158:10        Unique  2.63, 2.69 A)
 &rst
  ixpk= 1158, nxpk= 10, iat= 460, 470, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#    0 AMB  10-2:1159    30 MET  HN          4.00    (#   1159:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 423, 408,
 &end
#
#   30 MET  HB+          30 MET  HN          3.50    (#   1160:10        Unique  2.52, 3.09 A)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   30 MET  HG+          30 MET  HN          3.50    (#   1161:10        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   30 MET  HG-          30 MET  HN          3.50    (#   1162:10        Unique  1.92, 2.81 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 477, 478,
 &end
#
#   30 MET  ME           30 MET  HN          4.00    (#   1163:10        Unique  2.31, 3.27 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 481, 482, 483,
 &end
#
#   75 LEU  MDX          30 MET  HN          5.00    (#   1164:10        Unique  4.91, 7.15 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   77 ASP  HN           76 LYS  HN          2.80    (#   1165:10        Unique  1.76, 1.99 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=1248,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   75 LEU  HN           76 LYS  HN          2.80    (#   1166:10        Unique  1.75, 2.00 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   76 LYS  HB+          76 LYS  HN          4.00    (#   1168:10        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#   76 LYS  HB-          76 LYS  HN          4.00    (#   1169:10        Unique  2.99, 3.61 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1230,1231,
 &end
#
#    0 AMB  10-2:1170    76 LYS  HN          5.00    (#   1170:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1214, 481, 482, 483,
 &end
#
#    0 AMB  10-2:1171    76 LYS  HN          3.00    (#   1171:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1233,1234,1211,1212,
 &end
#
#   74 CYS  HA           76 LYS  HN          4.00    (#   1172:10        Unique  3.07, 3.24 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=1198,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  HA           76 LYS  HN          4.00    (#   1173:10        Unique  3.03, 3.24 A)
 &rst
  ixpk= 1173, nxpk= 10, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 VAL  HN           44 PHE  HN          3.50    (#   1174:10        Unique  2.61, 2.89 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=1074, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 MET  HN           44 PHE  HN          5.00    (#   1175:10        Unique  4.07, 4.16 A)
 &rst
  ixpk= 1175, nxpk= 10, iat= 726, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PHE  HD           44 PHE  HN          3.60    (#   1176:10        Unique  2.96, 3.99 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 714, 722,
 &end
#
#   43 PRO  HA           44 PHE  HN          2.80    (#   1177:10        Unique  2.24, 2.28 A)
 &rst
  ixpk= 1177, nxpk= 10, iat= 702, 706, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 PHE  HA           44 PHE  HN          3.50    (#   1178:10        Unique  2.86, 2.87 A)
 &rst
  ixpk= 1178, nxpk= 10, iat= 708, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 PHE  HA           44 PHE  HN          3.50    (#   1179:10        Unique  2.76, 2.89 A)
 &rst
  ixpk= 1179, nxpk= 10, iat= 674, 706, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1180    44 PHE  HN          4.00    (#   1180:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 710, 711, 710, 711,
 &end
#
#   42 PHE  HB-          44 PHE  HN          4.00    (#   1181:10        Unique  4.06, 4.72 A)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 676, 677,
 &end
#
#   42 PHE  HB+          44 PHE  HN          5.00    (#   1182:10        Unique  4.06, 4.72 A)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 676, 677,
 &end
#
#   43 PRO  HB+          44 PHE  HN          4.00    (#   1183:10        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 699, 700,
 &end
#
#   43 PRO  HB-          44 PHE  HN          4.00    (#   1184:10        Unique  2.81, 3.29 A)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 699, 700,
 &end
#
#    0 AMB  10-2:1185    44 PHE  HN          5.00    (#   1185:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 696, 697, 730, 731,
 &end
#
#   65 VAL  HB           44 PHE  HN          4.50    (#   1186:10        Unique  1.70, 2.08 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=1078, 706, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1187    44 PHE  HN          6.00    (#   1187:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
 &end
#
#   65 VAL  MGX          44 PHE  HN          4.00    (#   1188:10        Unique  1.67, 3.95 A)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   37 ASP  HN           38 ASP  HN          3.00    (#   1189:10        Unique  2.56, 2.68 A)
 &rst
  ixpk= 1189, nxpk= 10, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 ASP  HA           38 ASP  HN          3.00    (#   1190:10        Unique  2.73, 2.78 A)
 &rst
  ixpk= 1190, nxpk= 10, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1191    38 ASP  HN          3.40    (#   1191:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1191, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 562, 602,
 &end
#
#   39 THR  HB           38 ASP  HN          5.00    (#   1192:10        Unique  4.79, 4.89 A)
 &rst
  ixpk= 1192, nxpk= 10, iat= 628, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 ASP  HB+          38 ASP  HN          3.00    (#   1193:10        Unique  2.20, 2.54 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 616, 617,
 &end
#
#    0 AMB  10-2:1194    38 ASP  HN          4.00    (#   1194:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 616, 617, 604, 605,
 &end
#
#   37 ASP  HB-          38 ASP  HN          4.00    (#   1195:10        Unique  2.46, 3.32 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 604, 605,
 &end
#
#   85 ILE  HA           86 GLY  HN          4.00    (#   1198:10        Unique  2.61, 2.64 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=1369,1386, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 GLY  HA+          86 GLY  HN          3.00    (#   1199:10        Unique  2.71, 2.81 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1388,1389,
 &end
#
#    0 AMB  10-2:1200    86 GLY  HN          4.00    (#   1200:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
 &end
#
#   76 LYS  HN           75 LEU  HN          3.00    (#   1203:10        Unique  1.75, 2.00 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=1226,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 ASP  HN           75 LEU  HN          4.00    (#   1204:10        Unique  2.92, 3.32 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=1248,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1205    75 LEU  HN          4.00    (#   1205:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1196,1290,
 &end
#
#   75 LEU  HA           75 LEU  HN          3.00    (#   1206:10        Unique  2.28, 2.87 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=1209,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1207    75 LEU  HN          5.00    (#   1207:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1230,1231,1188,1189,1185,1186,
 &end
#
#    0 AMB  10-2:1208    75 LEU  HN          3.00    (#   1208:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1211,1212,1236,1237,
 &end
#
#    0 AMB  10-2:1210    75 LEU  HN          3.00    (#   1210:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1211,1212,1233,1234,
 &end
#
#   75 LEU  MDX          75 LEU  HN          3.40    (#   1212:10        Unique  3.49, 4.88 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   74 CYS  HA           75 LEU  HN          3.10    (#   1214:10        Unique  2.27, 2.44 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=1198,1207, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   18 ILE  HN           19 ILE  HN          4.00    (#   1217:10        Unique  2.04, 2.44 A)
 &rst
  ixpk= 1217, nxpk= 10, iat= 281, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 VAL  HN           19 ILE  HN          2.80    (#   1218:10        Unique  1.87, 2.20 A)
 &rst
  ixpk= 1218, nxpk= 10, iat= 319, 300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 ILE  HA           19 ILE  HN          3.50    (#   1219:10        Unique  2.85, 2.92 A)
 &rst
  ixpk= 1219, nxpk= 10, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 ILE  HB           19 ILE  HN          4.00    (#   1220:10        Unique  3.29, 3.52 A)
 &rst
  ixpk= 1220, nxpk= 10, iat= 304, 300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 ILE  HG1-         19 ILE  HN          3.20    (#   1221:10        Unique  1.82, 2.66 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 310, 311,
 &end
#
#    0 AMB  10-2:1222    19 ILE  HN          4.00    (#   1222:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 310, 311, 285,
 &end
#
#   19 ILE  QD1          19 ILE  HN          3.80    (#   1223:10        Unique  1.89, 3.12 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  QG2          19 ILE  HN          4.00    (#   1224:10        Unique  2.69, 3.95 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 306, 307, 308,
 &end
#
#    0 AMB  10-2:1225    19 ILE  HN          5.00    (#   1225:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
       330, 331, 291, 292,
 &end
#
#   18 ILE  QG2          19 ILE  HN          5.00    (#   1226:10        Unique  2.49, 3.81 A)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 287, 288, 289,
 &end
#
#   80 VAL  HB           80 VAL  HN          4.50    (#   1228:10        Unique  3.77, 3.95 A)
 &rst
  ixpk= 1228, nxpk= 10, iat=1302,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 ALA  HN           80 VAL  HN          4.50    (#   1230:10        Unique  1.98, 2.28 A)
 &rst
  ixpk= 1230, nxpk= 10, iat=1509,1298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 LEU  HN           80 VAL  HN          5.00    (#   1231:10        Unique  3.49, 4.13 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=1541,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 TYR  HD           80 VAL  HN          4.00    (#   1232:10        Unique  3.22, 4.37 A)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1285,1294,
 &end
#
#   79 TYR  HA           80 VAL  HN          3.20    (#   1233:10        Unique  2.28, 2.46 A)
 &rst
  ixpk= 1233, nxpk= 10, iat=1279,1298, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   80 VAL  HA           80 VAL  HN          3.50    (#   1234:10        Unique  2.90, 2.91 A)
 &rst
  ixpk= 1234, nxpk= 10, iat=1300,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 ALA  HA           80 VAL  HN          5.50    (#   1235:10        Unique  2.63, 3.03 A)
 &rst
  ixpk= 1235, nxpk= 10, iat=1511,1298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1236    80 VAL  HN          4.00    (#   1236:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1236, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1499,1521,
 &end
#
#   79 TYR  HB-          80 VAL  HN          3.50    (#   1237:10        Unique  1.86, 3.07 A)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1281,1282,
 &end
#
#    0 AMB  10-2:1238    80 VAL  HN          4.00    (#   1238:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1501,1502,1503,1526,1527,1545,1546,
 &end
#
#   80 VAL  MGY          80 VAL  HN          4.00    (#   1239:10        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  MGX          80 VAL  HN          3.00    (#   1240:10        Unique  2.42, 3.61 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  10-2:1241    80 VAL  HN          5.50    (#   1241:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1241, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1513,1514,1515,1596,1597,1598,
 &end
#
#    0 AMB  10-2:1243     0 AMB  10-1:1243   3.00    (#   1243:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1243, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1731,1732,1731,1732,
 igr2=1736,1737,1736,1737,
 &end
#
#  114 ALA  MB          110 GLN  HE2+        4.00    (#   1244:10        Unique  1.92, 3.34 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1789,1790,1791,
 igr2=1736,1737,
 &end
#
#  105 VAL  MGX         110 GLN  HE2+        4.20    (#   1245:10        Unique  4.68, 7.16 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1736,1737,
 &end
#
#  105 VAL  MGX         110 GLN  HE2-        5.00    (#   1247:10        Unique  4.68, 7.16 A)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1664,1665,1666,1668,1669,1670,
 igr2=1736,1737,
 &end
#
#    0 AMB  10-2:1248   110 GLN  HE2-        4.00    (#   1248:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1731,1732,1731,1732,
 igr2=1736,1737,
 &end
#
#   30 MET  HA           31 GLY  HN          4.00    (#   1252:10        Unique  3.56, 3.57 A)
 &rst
  ixpk= 1252, nxpk= 10, iat= 472, 487, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLY  HA+          31 GLY  HN          3.00    (#   1253:10        Unique  2.29, 2.55 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 489, 490,
 &end
#
#   28 ARG  HA           31 GLY  HN          4.00    (#   1254:10        Unique  3.61, 3.79 A)
 &rst
  ixpk= 1254, nxpk= 10, iat= 438, 487, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLY  HA-          31 GLY  HN          3.00    (#   1255:10        Unique  2.29, 2.55 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 489, 490,
 &end
#
#   30 MET  HB+          31 GLY  HN          3.50    (#   1256:10        Unique  2.22, 2.87 A)
 &rst
  ixpk= 1256, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#   30 MET  HG-          31 GLY  HN          5.00    (#   1257:10        Unique  3.92, 4.36 A)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 478,
 &end
#
#   32 TRP  HN           31 GLY  HN          3.50    (#   1258:10        Unique  2.81, 2.88 A)
 &rst
  ixpk= 1258, nxpk= 10, iat= 494, 487, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 MET  HG+          31 GLY  HN          5.00    (#   1259:10        Unique  3.92, 4.36 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 477, 478,
 &end
#
#    0 AMB  10-2:1260    31 GLY  HN          5.00    (#   1260:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1260, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 464, 465, 466,1267,1268,
 &end
#
#  104 ASP  HN          105 VAL  HN          3.00    (#   1268:10        Unique  2.51, 2.74 A)
 &rst
  ixpk= 1268, nxpk= 10, iat=1646,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  106 ASP  HN          105 VAL  HN          5.00    (#   1269:10        Unique  4.38, 4.44 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=1674,1658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  104 ASP  HA          105 VAL  HN          3.00    (#   1271:10        Unique  2.61, 2.74 A)
 &rst
  ixpk= 1271, nxpk= 10, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  103 ILE  HA          105 VAL  HN          4.00    (#   1272:10        Unique  3.44, 3.87 A)
 &rst
  ixpk= 1272, nxpk= 10, iat=1629,1658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  104 ASP  HB+         105 VAL  HN          4.80    (#   1273:10        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1650,1651,
 &end
#
#  104 ASP  HB-         105 VAL  HN          4.00    (#   1274:10        Unique  4.19, 4.40 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1650,1651,
 &end
#
#    0 AMB  10-2:1275   105 VAL  HN          4.00    (#   1275:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1662,1728,1729,
 &end
#
#  102 ALA  MB          105 VAL  HN          4.00    (#   1276:10        Unique  3.93, 5.08 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1621,1622,1623,
 &end
#
#  103 ILE  QG2         105 VAL  HN          5.00    (#   1277:10        Unique  4.63, 5.76 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1633,1634,1635,
 &end
#
#  105 VAL  MGX         105 VAL  HN          3.00    (#   1278:10        Unique  2.34, 3.31 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#   87 GLY  HA-          87 GLY  HN          3.20    (#   1285:10        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1285, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1395,1396,
 &end
#
#   86 GLY  HA+          87 GLY  HN          4.00    (#   1286:10        Unique  2.93, 3.24 A)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1388,1389,
 &end
#
#   87 GLY  HA+          87 GLY  HN          3.50    (#   1287:10        Unique  2.32, 2.62 A)
 &rst
  ixpk= 1287, nxpk= 10, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1395,1396,
 &end
#
#  116 TRP  HE1          98 SER  HN          4.00    (#   1288:10        Unique  3.15, 3.98 A)
 &rst
  ixpk= 1288, nxpk= 10, iat=1817,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   97 LEU  HN           98 SER  HN          3.50    (#   1289:10        Unique  2.78, 2.87 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=1541,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ASP  HN           98 SER  HN          3.00    (#   1290:10        Unique  2.34, 2.49 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=1571,1560, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   98 SER  HA           98 SER  HN          3.50    (#   1292:10        Unique  2.81, 2.85 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=1562,1560, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 SER  HB-          98 SER  HN          3.50    (#   1293:10        Unique  2.09, 2.96 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1564,1565,
 &end
#
#   96 LYS  HB+          98 SER  HN          4.00    (#   1294:10        Unique  4.11, 4.57 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1523,1524,
 &end
#
#    0 AMB  10-2:1295    98 SER  HN          4.00    (#   1295:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1295, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1523,1524,1529,1530,1548,
 &end
#
#   97 LEU  HB+          98 SER  HN          4.00    (#   1296:10        Unique  2.74, 3.31 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1545,1546,
 &end
#
#    0 AMB  10-2:1297    98 SER  HN          4.00    (#   1297:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1545,1546,1550,1551,1552,1554,1555,1556,
 &end
#
#    0 AMB  10-2:1298    98 SER  HN          5.00    (#   1298:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
      1309,1310,
 &end
#
#    0 AMB  10-2:1299    98 SER  HN          5.00    (#   1299:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1=1550,1551,1552,1554,1555,1556,1589,1590,1591,1264,
      1265,
 &end
#
#    0 AMB  10-2:1300    98 SER  HN          4.00    (#   1300:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,1304,1305,1306,1308,1309,1310,
 &end
#
#   98 SER  HB+          98 SER  HN          3.50    (#   1301:10        Unique  2.09, 2.96 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1564,1565,
 &end
#
#   96 LYS  HA           98 SER  HN          4.00    (#   1302:10        Unique  3.79, 4.05 A)
 &rst
  ixpk= 1302, nxpk= 10, iat=1521,1560, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1307    46 GLY  HN          4.50    (#   1307:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1074, 772,
 &end
#
#   45 MET  HN           46 GLY  HN          5.00    (#   1308:10        Unique  4.55, 4.60 A)
 &rst
  ixpk= 1308, nxpk= 10, iat= 726, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 MET  HA           46 GLY  HN          3.00    (#   1310:10        Unique  2.18, 2.24 A)
 &rst
  ixpk= 1310, nxpk= 10, iat= 728, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 GLY  HA-          46 GLY  HN          3.50    (#   1311:10        Unique  2.58, 2.77 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#   46 GLY  HA+          46 GLY  HN          3.50    (#   1313:10        Unique  2.58, 2.77 A)
 &rst
  ixpk= 1313, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 745, 746,
 &end
#
#   45 MET  HG+          46 GLY  HN          5.00    (#   1314:10        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1314, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 733, 734,
 &end
#
#   45 MET  HG-          46 GLY  HN          4.50    (#   1315:10        Unique  3.18, 4.09 A)
 &rst
  ixpk= 1315, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 734,
 &end
#
#   45 MET  HB-          46 GLY  HN          5.00    (#   1316:10        Unique  2.96, 3.72 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 730, 731,
 &end
#
#    0 AMB  10-2:1317    46 GLY  HN          3.50    (#   1317:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 737, 738, 739, 730, 731,
 &end
#
#    0 AMB  10-2:1318    46 GLY  HN          5.00    (#   1318:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1035,1036,1037,1377,1378,
 &end
#
#  100 ILE  QG2          46 GLY  HN          6.00    (#   1319:10        Unique  4.90, 5.94 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1589,1590,1591,
 &end
#
#    0 AMB  10-2:1320    46 GLY  HN          4.00    (#   1320:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1320, nxpk= 10, iat=  -1, 743, 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
#
#  103 ILE  QD1          46 GLY  HN          4.00    (#   1321:10        Unique  3.53, 5.38 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1640,1641,1642,
 &end
#
#  122 ARG  HN          123 GLY  HN          3.50    (#   1325:10        Unique  2.66, 2.82 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=1924,1948, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  121 ALA  HA          123 GLY  HN          4.00    (#   1326:10        Unique  3.49, 3.80 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=1916,1948, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1327   123 GLY  HN          4.00    (#   1327:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1928,1929,1904,1905,1906,1908,1909,1910,
 &end
#
#  124 TYR  HN          123 GLY  HN          3.00    (#   1328:10        Unique  1.67, 2.92 A)
 &rst
  ixpk= 1328, nxpk= 10, iat=1955,1948, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  123 GLY  HA+         123 GLY  HN          3.00    (#   1329:10        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1950,1951,
 &end
#
#  122 ARG  HA          123 GLY  HN          3.80    (#   1330:10        Unique  2.80, 3.19 A)
 &rst
  ixpk= 1330, nxpk= 10, iat=1926,1948, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  123 GLY  HA-         123 GLY  HN          3.00    (#   1331:10        Unique  2.29, 2.62 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,1948, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1950,1951,
 &end
#
#   16 THR  HA           16 THR  HN          4.00    (#   1336:10        Unique  2.91, 2.93 A)
 &rst
  ixpk= 1336, nxpk= 10, iat= 254, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ILE  HN           16 THR  HN          6.00    (#   1337:10        Unique  4.21, 4.30 A)
 &rst
  ixpk= 1337, nxpk= 10, iat= 281, 252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1339    16 THR  HN          4.00    (#   1339:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1339, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 239, 256,
 &end
#
#   15 GLU  HB+          16 THR  HN          4.00    (#   1340:10        Unique  2.53, 3.36 A)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 241, 242,
 &end
#
#   15 GLU  HB-          16 THR  HN          3.00    (#   1341:10        Unique  2.53, 3.36 A)
 &rst
  ixpk= 1341, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   16 THR  MG2          16 THR  HN          3.00    (#   1342:10        Unique  2.06, 3.08 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 258, 259, 260,
 &end
#
#    0 AMB  10-2:1343    16 THR  HN          5.00    (#   1343:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1343, nxpk= 10, iat=  -1, 252, 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
#
#   17 GLU  HN           16 THR  HN          4.50    (#   1344:10        Unique  2.68, 2.80 A)
 &rst
  ixpk= 1344, nxpk= 10, iat= 266, 252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HN           67 GLY  HN          3.00    (#   1348:10        Unique  2.00, 2.24 A)
 &rst
  ixpk= 1348, nxpk= 10, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 GLU  HN           67 GLY  HN          4.00    (#   1349:10        Unique  3.18, 3.65 A)
 &rst
  ixpk= 1349, nxpk= 10, iat=1314,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 MET  HN           67 GLY  HN          4.20    (#   1350:10        Unique  1.83, 3.33 A)
 &rst
  ixpk= 1350, nxpk= 10, iat=1116,1109, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   65 VAL  HA           67 GLY  HN          4.00    (#   1351:10        Unique  3.37, 3.59 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=1076,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 GLY  HA+          67 GLY  HN          3.00    (#   1352:10        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1111,1112,
 &end
#
#   80 VAL  HB           67 GLY  HN          4.00    (#   1353:10        Unique  2.27, 3.08 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=1302,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 GLU  HB+          67 GLY  HN          4.00    (#   1354:10        Unique  3.74, 4.91 A)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1318,1319,
 &end
#
#   66 LEU  HB+          67 GLY  HN          3.50    (#   1355:10        Unique  3.17, 3.71 A)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#   67 GLY  HA-          67 GLY  HN          3.00    (#   1356:10        Unique  2.49, 2.76 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1111,1112,
 &end
#
#   80 VAL  MGY          67 GLY  HN          5.00    (#   1357:10        Unique  3.36, 4.96 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  10-2:1358    67 GLY  HN          4.00    (#   1358:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1358, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=1097,1099,1100,1101,1103,1104,1105,1099,1100,1101,
      1103,1104,1105,
 &end
#
#   65 VAL  MGY          67 GLY  HN          3.00    (#   1359:10        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1359, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   66 LEU  HA           67 GLY  HN          4.00    (#   1360:10        Unique  3.19, 3.34 A)
 &rst
  ixpk= 1360, nxpk= 10, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 VAL  MGX          67 GLY  HN          5.00    (#   1362:10        Unique  1.83, 3.80 A)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1080,1081,1082,1084,1085,1086,
 &end
#
#   98 SER  HN           97 LEU  HN          3.50    (#   1363:10        Unique  2.78, 2.87 A)
 &rst
  ixpk= 1363, nxpk= 10, iat=1560,1541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    2 ALA  MB            3 SER  HN          4.00    (#   1364:10        Unique  1.96, 3.16 A)
 &rst
  ixpk= 1364, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=  25,  26,  27,
 &end
#
#    0 AMB  10-2:1365     3 SER  HN          4.00    (#   1365:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  35,  36,  35,  36,
 &end
#
#    3 SER  HN            4 VAL  HN          3.00    (#   1366:10        Unique  2.29, 2.59 A)
 &rst
  ixpk= 1366, nxpk= 10, iat=  31,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 SER  HA            4 VAL  HN          3.00    (#   1367:10        Unique  2.50, 2.60 A)
 &rst
  ixpk= 1367, nxpk= 10, iat=  33,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 VAL  MGX           4 VAL  HN          3.00    (#   1368:10        Unique  1.94, 3.75 A)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  48,  49,  50,  52,  53,  54,
 &end
#
#   73 GLU  HN           71 ASP  HN          5.00    (#   1369:10        Unique  4.20, 4.55 A)
 &rst
  ixpk= 1369, nxpk= 10, iat=1181,1157, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   33 TYR  HE           71 ASP  HN          4.00    (#   1370:10        Unique  2.72, 6.68 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 528, 533,
 &end
#
#    6 ARG  HB-           6 ARG  HN          3.00    (#   1371:10        Unique  2.38, 3.35 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  77,  78,
 &end
#
#   11 GLU  HG+           7 ASP  HN          7.00    (#   1374:10        Unique  5.60, 7.39 A)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 169, 170,
 &end
#
#    6 ARG  HN            7 ASP  HN          3.00    (#   1376:10        Unique  1.77, 1.93 A)
 &rst
  ixpk= 1376, nxpk= 10, iat=  73,  97, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   94 THR  HN           93 TYR  HN          6.00    (#   1377:10        Unique  4.44, 4.47 A)
 &rst
  ixpk= 1377, nxpk= 10, iat=1495,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 VAL  HN           93 TYR  HN          6.00    (#   1378:10        Unique  4.27, 4.32 A)
 &rst
  ixpk= 1378, nxpk= 10, iat=1458,1474, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 GLU  HN            9 THR  HN          3.50    (#   1379:10        Unique  1.82, 2.55 A)
 &rst
  ixpk= 1379, nxpk= 10, iat= 109, 124, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1380    10 ARG  HN          5.00    (#   1380:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1380, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 148, 149, 181, 182,
 &end
#
#    0 AMB  10-2:1381    10 ARG  HN          5.00    (#   1381:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1381, nxpk= 10, iat=  -1, 138, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 166, 167, 113, 114,
 &end
#
#   14 ILE  QD1          11 GLU  HN          4.00    (#   1382:10        Unique  4.41, 6.32 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 231, 232, 233,
 &end
#
#   10 ARG  HD-          11 GLU  HN          5.30    (#   1384:10        Unique  1.98, 4.31 A)
 &rst
  ixpk= 1384, nxpk= 10, iat=  -1, 162, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 148, 149,
 &end
#
#    0 AMB  10-2:1386    13 ARG  HN          6.00    (#   1386:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 273, 274, 222,
 &end
#
#   18 ILE  QD1          15 GLU  HN          7.00    (#   1388:10        Unique  5.48, 6.63 A)
 &rst
  ixpk= 1388, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 294, 295, 296,
 &end
#
#   16 THR  HN           18 ILE  HN          6.00    (#   1389:10        Unique  4.21, 4.30 A)
 &rst
  ixpk= 1389, nxpk= 10, iat= 252, 281, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 ILE  QD1          19 ILE  HN          7.00    (#   1390:10        Unique  4.32, 5.46 A)
 &rst
  ixpk= 1390, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 294, 295, 296,
 &end
#
#    0 AMB  10-2:1391    19 ILE  HN          4.50    (#   1391:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1391, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 239, 496,
 &end
#
#   19 ILE  QD1          20 VAL  HN          5.00    (#   1392:10        Unique  1.94, 4.10 A)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 313, 314, 315,
 &end
#
#   99 ASP  HA           48 TRP  HE1         5.50    (#   1394:10        Unique  5.05, 5.13 A)
 &rst
  ixpk= 1394, nxpk= 10, iat=1573, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TRP  HA           48 TRP  HE1         5.00    (#   1395:10        Unique  4.74, 4.79 A)
 &rst
  ixpk= 1395, nxpk= 10, iat= 774, 782, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1396    48 TRP  HE1         6.00    (#   1396:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1396, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 796,1007,
 &end
#
#    0 AMB  10-2:1397    97 LEU  HN          6.00    (#   1397:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1397, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1285,1294, 791,
 &end
#
#    0 AMB  10-2:1398    74 CYS  HN          5.00    (#   1398:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1398, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
 &end
#
#    6 ARG  HB-           7 ASP  HN          4.00    (#   1399:10        Unique  3.49, 3.94 A)
 &rst
  ixpk= 1399, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=  77,  78,
 &end
#
#    0 AMB  10-2:1400     8 GLU  HN          5.00    (#   1400:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1, 109, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  65,  66,  65,  66, 101, 102,
 &end
#
#    8 GLU  HA            8 GLU  HN          3.00    (#   1401:10        Unique  2.28, 2.41 A)
 &rst
  ixpk= 1401, nxpk= 10, iat= 111, 109, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    7 ASP  HA            8 GLU  HN          3.50    (#   1402:10        Unique  2.44, 2.81 A)
 &rst
  ixpk= 1402, nxpk= 10, iat=  99, 109, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 GLU  HA           11 GLU  HN          3.50    (#   1404:10        Unique  2.65, 2.67 A)
 &rst
  ixpk= 1404, nxpk= 10, iat= 164, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1406    13 ARG  HN          5.00    (#   1406:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 258, 259, 260, 142, 143,
 &end
#
#   14 ILE  HG1-         14 ILE  HN          4.00    (#   1407:10        Unique  2.61, 3.78 A)
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 228, 229,
 &end
#
#   15 GLU  HB+          15 GLU  HN          3.00    (#   1408:10        Unique  2.13, 2.63 A)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 241, 242,
 &end
#
#   18 ILE  QD1          17 GLU  HN          6.50    (#   1409:10        Unique  5.56, 6.27 A)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 294, 295, 296,
 &end
#
#   18 ILE  QG2          17 GLU  HN          6.50    (#   1410:10        Unique  5.73, 6.22 A)
 &rst
  ixpk= 1410, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 287, 288, 289,
 &end
#
#   18 ILE  HG1+         17 GLU  HN          6.50    (#   1411:10        Unique  3.56, 4.84 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 291, 292,
 &end
#
#   17 GLU  HG+          17 GLU  HN          6.00    (#   1413:10        Unique  2.90, 3.52 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 273, 274,
 &end
#
#   18 ILE  HA           17 GLU  HN          6.00    (#   1414:10        Unique  4.44, 4.50 A)
 &rst
  ixpk= 1414, nxpk= 10, iat= 283, 266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 ILE  HA           17 GLU  HN          5.50    (#   1415:10        Unique  3.74, 3.87 A)
 &rst
  ixpk= 1415, nxpk= 10, iat= 220, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ILE  QD1          18 ILE  HN          6.00    (#   1416:10        Unique  3.20, 4.70 A)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 313, 314, 315,
 &end
#
#   19 ILE  HG1-         18 ILE  HN          6.00    (#   1417:10        Unique  3.37, 4.49 A)
 &rst
  ixpk= 1417, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 310, 311,
 &end
#
#   18 ILE  HG1+         19 ILE  HN          6.00    (#   1418:10        Unique  4.01, 4.56 A)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 291, 292,
 &end
#
#   20 VAL  HB           19 ILE  HN          5.00    (#   1420:10        Unique  4.85, 5.26 A)
 &rst
  ixpk= 1420, nxpk= 10, iat= 323, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 GLU  HB-          19 ILE  HN          7.00    (#   1421:10        Unique  5.73, 6.11 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 241, 242,
 &end
#
#    0 AMB  10-2:1422    20 VAL  HN          7.00    (#   1422:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1422, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 241, 242, 270, 271,
 &end
#
#   18 ILE  HA           19 ILE  HN          5.00    (#   1423:10        Unique  3.42, 3.53 A)
 &rst
  ixpk= 1423, nxpk= 10, iat= 283, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   14 ILE  HA           19 ILE  HN          4.20    (#   1424:10        Unique  4.61, 5.20 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 220, 300, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:1425    19 ILE  HN          5.00    (#   1425:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1425, nxpk= 10, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 321, 489, 490,
 &end
#
#   17 GLU  HN           19 ILE  HN          5.00    (#   1426:10        Unique  2.54, 3.41 A)
 &rst
  ixpk= 1426, nxpk= 10, iat= 266, 300, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 GLU  HN           20 VAL  HN          5.00    (#   1427:10        Unique  2.67, 3.19 A)
 &rst
  ixpk= 1427, nxpk= 10, iat= 266, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1428    20 VAL  HN          5.00    (#   1428:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1428, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 252, 347,
 &end
#
#   18 ILE  HN           20 VAL  HN          5.00    (#   1429:10        Unique  2.98, 3.30 A)
 &rst
  ixpk= 1429, nxpk= 10, iat= 281, 319, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1430    20 VAL  HN          6.00    (#   1430:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 268, 337,
 &end
#
#   15 GLU  HA           20 VAL  HN          4.50    (#   1431:10        Unique  3.67, 3.98 A)
 &rst
  ixpk= 1431, nxpk= 10, iat= 239, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ILE  HG1-         20 VAL  HN          3.50    (#   1432:10        Unique  1.73, 3.06 A)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1, 319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 311,
 &end
#
#   20 VAL  HN           22 ALA  HN          5.00    (#   1434:10        Unique  4.58, 4.72 A)
 &rst
  ixpk= 1434, nxpk= 10, iat= 319, 347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   27 GLU  HG-          23 GLU  HN          4.00    (#   1435:10        Unique  3.44, 4.07 A)
 &rst
  ixpk= 1435, nxpk= 10, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 428, 429,
 &end
#
#   23 GLU  HN           24 ASP  HN          2.80    (#   1436:10        Unique  1.81, 1.85 A)
 &rst
  ixpk= 1436, nxpk= 10, iat= 357, 372, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 LYS  HB+          26 GLU  HN          4.00    (#   1437:10        Unique  3.61, 3.93 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 388, 389,
 &end
#
#   26 GLU  HB+          26 GLU  HN          3.00    (#   1438:10        Unique  2.32, 3.02 A)
 &rst
  ixpk= 1438, nxpk= 10, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 410, 411,
 &end
#
#    0 AMB  10-2:1439    27 GLU  HN          3.00    (#   1439:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1439, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 410, 411, 425, 426,
 &end
#
#   27 GLU  HN           28 ARG  HN          3.00    (#   1440:10        Unique  2.81, 2.87 A)
 &rst
  ixpk= 1440, nxpk= 10, iat= 421, 436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 GLU  HB+          28 ARG  HN          3.00    (#   1442:10        Unique  2.56, 3.27 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 425, 426,
 &end
#
#    0 AMB  10-2:1443    28 ARG  HN          4.00    (#   1443:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 423, 408,
 &end
#
#   23 GLU  HN           27 GLU  HN          5.00    (#   1445:10        Unique  5.18, 5.30 A)
 &rst
  ixpk= 1445, nxpk= 10, iat= 357, 421, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   23 GLU  HN           28 ARG  HN          4.00    (#   1447:10        Unique  4.48, 4.73 A)
 &rst
  ixpk= 1447, nxpk= 10, iat= 357, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 ASP  HN           28 ARG  HN          4.00    (#   1448:10        Unique  3.27, 3.60 A)
 &rst
  ixpk= 1448, nxpk= 10, iat= 372, 436, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  126 PHE  HE           28 ARG  HN          6.30    (#   1449:10        Unique  3.92, 8.20 A)
 &rst
  ixpk= 1449, nxpk= 10, iat=  -1, 436, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2008,2012,
 &end
#
#  126 PHE  HE           29 ALA  HN          6.20    (#   1450:10        Unique  3.02, 8.80 A)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=2008,2012,
 &end
#
#   75 LEU  MDX          29 ALA  HN          5.00    (#   1451:10        Unique  4.84, 7.26 A)
 &rst
  ixpk= 1451, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   22 ALA  MB           29 ALA  HN          5.00    (#   1452:10        Unique  4.96, 5.87 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 351, 352, 353,
 &end
#
#   28 ARG  HN           30 MET  HN          4.50    (#   1453:10        Unique  3.92, 3.98 A)
 &rst
  ixpk= 1453, nxpk= 10, iat= 436, 470, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 TRP  HB+          31 GLY  HN          5.00    (#   1454:10        Unique  4.62, 5.44 A)
 &rst
  ixpk= 1454, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 498, 499,
 &end
#
#    0 AMB  10-2:1455    31 GLY  HN          5.50    (#   1455:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 498, 499, 543, 544,
 &end
#
#    0 AMB  10-2:1456    30 MET  HN          5.00    (#   1456:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1456, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 522, 523, 498, 499,
 &end
#
#    0 AMB  10-2:1457    30 MET  HN          6.50    (#   1457:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 498, 499, 543, 544, 376, 377,
 &end
#
#   31 GLY  HA-          30 MET  HN          5.00    (#   1458:10        Unique  5.00, 5.24 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 489, 490,
 &end
#
#   28 ARG  HA           30 MET  HN          5.00    (#   1459:10        Unique  4.09, 4.26 A)
 &rst
  ixpk= 1459, nxpk= 10, iat= 438, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ILE  QG2          31 GLY  HN          7.00    (#   1460:10        Unique  5.26, 6.31 A)
 &rst
  ixpk= 1460, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   19 ILE  QG2          31 GLY  HN          4.00    (#   1461:10        Unique  2.62, 3.75 A)
 &rst
  ixpk= 1461, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 306, 307, 308,
 &end
#
#   22 ALA  MB           31 GLY  HN          4.50    (#   1462:10        Unique  3.05, 3.58 A)
 &rst
  ixpk= 1462, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 351, 352, 353,
 &end
#
#   30 MET  ME           31 GLY  HN          5.00    (#   1463:10        Unique  4.57, 5.63 A)
 &rst
  ixpk= 1463, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  10-2:1464    32 TRP  HN          5.00    (#   1464:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1464, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1= 351, 352, 353,1264,1265,
 &end
#
#   30 MET  HB-          31 GLY  HN          3.50    (#   1465:10        Unique  2.22, 2.87 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 474, 475,
 &end
#
#    0 AMB  10-2:1466    31 GLY  HN          5.00    (#   1466:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 462, 522, 523,
 &end
#
#   28 ARG  HA           32 TRP  HN          5.00    (#   1467:10        Unique  4.02, 4.20 A)
 &rst
  ixpk= 1467, nxpk= 10, iat= 438, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 ALA  HN           31 GLY  HN          5.00    (#   1468:10        Unique  4.48, 4.63 A)
 &rst
  ixpk= 1468, nxpk= 10, iat= 460, 487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 TRP  HD1          31 GLY  HN          5.50    (#   1469:10        Unique  4.18, 4.81 A)
 &rst
  ixpk= 1469, nxpk= 10, iat= 502, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1470    32 TRP  HN          5.00    (#   1470:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 460, 507,
 &end
#
#   33 TYR  HN           31 GLY  HN          5.00    (#   1471:10        Unique  4.18, 4.46 A)
 &rst
  ixpk= 1471, nxpk= 10, iat= 518, 487, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 TYR  HN           31 GLY  HN          5.50    (#   1472:10        Unique  4.70, 4.85 A)
 &rst
  ixpk= 1472, nxpk= 10, iat= 539, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TYR  HN           32 TRP  HN          3.50    (#   1473:10        Unique  2.85, 2.99 A)
 &rst
  ixpk= 1473, nxpk= 10, iat= 518, 494, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 TYR  HN           32 TRP  HN          5.00    (#   1474:10        Unique  4.42, 4.55 A)
 &rst
  ixpk= 1474, nxpk= 10, iat= 539, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   31 GLY  HN           33 TYR  HN          5.00    (#   1475:10        Unique  4.18, 4.46 A)
 &rst
  ixpk= 1475, nxpk= 10, iat= 487, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   35 TYR  HN           32 TRP  HN          5.50    (#   1476:10        Unique  4.88, 5.01 A)
 &rst
  ixpk= 1476, nxpk= 10, iat= 560, 494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 TYR  HN           33 TYR  HN          5.00    (#   1477:10        Unique  4.33, 4.53 A)
 &rst
  ixpk= 1477, nxpk= 10, iat= 560, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 TYR  HD           33 TYR  HN          5.00    (#   1478:10        Unique  4.41, 6.17 A)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 547, 556,
 &end
#
#    0 AMB  10-2:1479    33 TYR  HN          6.00    (#   1479:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 554, 528, 533,
 &end
#
#   32 TRP  HD1          33 TYR  HN          5.00    (#   1480:10        Unique  4.64, 4.93 A)
 &rst
  ixpk= 1480, nxpk= 10, iat= 502, 518, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   30 MET  HA           32 TRP  HN          5.00    (#   1481:10        Unique  4.78, 5.05 A)
 &rst
  ixpk= 1481, nxpk= 10, iat= 472, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1482    32 TRP  HN          7.00    (#   1482:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1482, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 585, 586, 477, 478,
 &end
#
#    0 AMB  10-2:1483    33 TYR  HN          6.00    (#   1483:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1483, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 585, 586, 477, 478,
 &end
#
#   30 MET  ME           32 TRP  HN          6.00    (#   1484:10        Unique  5.74, 6.99 A)
 &rst
  ixpk= 1484, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 481, 482, 483,
 &end
#
#    0 AMB  10-2:1485    32 TRP  HN          6.00    (#   1485:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1485, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 310, 311,1267,1268,
 &end
#
#    0 AMB  10-2:1486    33 TYR  HN          5.00    (#   1486:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1486, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1267,1268, 464, 465, 466,
 &end
#
#   36 LEU  MDX          33 TYR  HN          5.00    (#   1487:10        Unique  4.72, 6.18 A)
 &rst
  ixpk= 1487, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  MDX          32 TRP  HN          5.50    (#   1488:10        Unique  6.10, 8.13 A)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1, 494, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   18 ILE  QG2          33 TYR  HN          7.00    (#   1489:10        Unique  5.12, 5.67 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 287, 288, 289,
 &end
#
#   68 MET  ME           33 TYR  HN          5.00    (#   1491:10        Unique  4.66, 5.65 A)
 &rst
  ixpk= 1491, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1127,1128,1129,
 &end
#
#    0 AMB  10-2:1493    34 TYR  HN          5.00    (#   1493:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1493, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 474, 475,1123,1124,
 &end
#
#   32 TRP  HB+          33 TYR  HN          3.00    (#   1494:10        Unique  2.24, 2.77 A)
 &rst
  ixpk= 1494, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 498, 499,
 &end
#
#   31 GLY  HA-          33 TYR  HN          5.00    (#   1495:10        Unique  4.44, 4.85 A)
 &rst
  ixpk= 1495, nxpk= 10, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 489, 490,
 &end
#
#   31 GLY  HN           34 TYR  HN          6.00    (#   1496:10        Unique  4.70, 4.85 A)
 &rst
  ixpk= 1496, nxpk= 10, iat= 487, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 TYR  HN           34 TYR  HN          3.50    (#   1497:10        Unique  2.99, 3.06 A)
 &rst
  ixpk= 1497, nxpk= 10, iat= 560, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1498     0 AMB  10-1:1498   5.00    (#   1498:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 494,1884,
 igr2= 539,1260,
 &end
#
#    0 AMB  10-2:1499     0 AMB  10-1:1499   5.20    (#   1499:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1499, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1=1965,1970, 570, 575,
 igr2=1260, 539,
 &end
#
#   35 TYR  HE           35 TYR  HN          6.20    (#   1500:10        Unique  4.08, 5.25 A)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 570, 575,
 &end
#
#    0 AMB  10-2:1501     0 AMB  10-1:1501   5.80    (#   1501:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
 igr1= 585, 586,1161,1162,1123,1124,
 igr2= 539,1260,
 &end
#
#   36 LEU  HB-          35 TYR  HN          6.00    (#   1502:10        Unique  4.29, 4.81 A)
 &rst
  ixpk= 1502, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 585, 586,
 &end
#
#    0 AMB  10-2:1503     0 AMB  10-1:1503   5.00    (#   1503:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1503, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
 igr1= 604, 605,1120,1121, 588,
 igr2= 539,1260,
 &end
#
#   18 ILE  QG2          36 LEU  HN          6.00    (#   1505:10        Unique  4.90, 5.73 A)
 &rst
  ixpk= 1505, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 287, 288, 289,
 &end
#
#   36 LEU  MDX          35 TYR  HN          5.00    (#   1506:10        Unique  5.15, 7.25 A)
 &rst
  ixpk= 1506, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 590, 591, 592, 594, 595, 596,
 &end
#
#   36 LEU  HB+          35 TYR  HN          5.00    (#   1507:10        Unique  4.29, 4.81 A)
 &rst
  ixpk= 1507, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 585, 586,
 &end
#
#   35 TYR  HB+          35 TYR  HN          3.00    (#   1508:10        Unique  2.12, 3.00 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 564, 565,
 &end
#
#    0 AMB  10-2:1509    36 LEU  HN          5.00    (#   1509:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 543, 544, 628,
 &end
#
#   18 ILE  HA           35 TYR  HN          7.00    (#   1510:10        Unique  5.22, 5.63 A)
 &rst
  ixpk= 1510, nxpk= 10, iat= 283, 560, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1512    35 TYR  HN          5.00    (#   1512:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1512, nxpk= 10, iat=  -1, 560, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 489, 490, 583,
 &end
#
#   32 TRP  HA           36 LEU  HN          4.50    (#   1513:10        Unique  3.73, 4.05 A)
 &rst
  ixpk= 1513, nxpk= 10, iat= 496, 581, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1515    36 LEU  HN          4.50    (#   1515:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1515, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 612, 624,
 &end
#
#   33 TYR  HE           37 ASP  HN          5.20    (#   1516:10        Unique  3.65, 5.34 A)
 &rst
  ixpk= 1516, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 528, 533,
 &end
#
#   34 TYR  HD           37 ASP  HN          6.00    (#   1517:10        Unique  5.90, 6.92 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 547, 556,
 &end
#
#   35 TYR  HN           37 ASP  HN          5.00    (#   1518:10        Unique  4.41, 4.55 A)
 &rst
  ixpk= 1518, nxpk= 10, iat= 560, 600, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  MDX          37 ASP  HN          6.00    (#   1519:10        Unique  4.12, 5.94 A)
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 647, 648, 649, 651, 652, 653,
 &end
#
#    0 AMB  10-2:1520    38 ASP  HN          5.00    (#   1520:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1520, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
 &end
#
#   36 LEU  HB+          38 ASP  HN          6.00    (#   1521:10        Unique  4.62, 5.29 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 585, 586,
 &end
#
#    0 AMB  10-2:1522    38 ASP  HN          5.30    (#   1522:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1522, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1=1127,1128,1129, 645,
 &end
#
#    0 AMB  10-2:1523    38 ASP  HN          5.00    (#   1523:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 585, 586,1123,1124,
 &end
#
#   38 ASP  HB+          37 ASP  HN          5.00    (#   1524:10        Unique  4.66, 4.95 A)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 616, 617,
 &end
#
#    0 AMB  10-2:1525    37 ASP  HN          6.00    (#   1525:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1525, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 564, 565, 543, 544, 676, 677, 498, 499,
 &end
#
#    0 AMB  10-2:1526    37 ASP  HN          5.80    (#   1526:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1526, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 564, 565, 498, 499,
 &end
#
#    0 AMB  10-2:1527    37 ASP  HN          5.00    (#   1527:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1527, nxpk= 10, iat=  -1, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 628, 543, 544,
 &end
#
#   33 TYR  HA           37 ASP  HN          4.00    (#   1528:10        Unique  3.30, 3.54 A)
 &rst
  ixpk= 1528, nxpk= 10, iat= 520, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 TYR  HA           36 LEU  HN          4.00    (#   1530:10        Unique  3.18, 3.29 A)
 &rst
  ixpk= 1530, nxpk= 10, iat= 520, 581, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   39 THR  HA           38 ASP  HN          6.00    (#   1531:10        Unique  5.19, 5.35 A)
 &rst
  ixpk= 1531, nxpk= 10, iat= 626, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 LEU  HA           38 ASP  HN          5.00    (#   1532:10        Unique  4.56, 4.78 A)
 &rst
  ixpk= 1532, nxpk= 10, iat= 583, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 LEU  HN           38 ASP  HN          4.00    (#   1533:10        Unique  3.84, 4.09 A)
 &rst
  ixpk= 1533, nxpk= 10, iat= 581, 612, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 LEU  HN           38 ASP  HN          5.00    (#   1534:10        Unique  4.00, 4.37 A)
 &rst
  ixpk= 1534, nxpk= 10, iat= 638, 612, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1535    38 ASP  HN          5.00    (#   1535:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1535, nxpk= 10, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 564, 565, 676, 677,
 &end
#
#    0 AMB  10-2:1536    39 THR  HN          4.00    (#   1536:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1536, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1127,1128,1129, 645, 661, 662,
 &end
#
#   40 LEU  HB-          39 THR  HN          5.50    (#   1537:10        Unique  4.05, 5.12 A)
 &rst
  ixpk= 1537, nxpk= 10, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 642, 643,
 &end
#
#   38 ASP  HB-          40 LEU  HN          6.00    (#   1538:10        Unique  4.95, 5.64 A)
 &rst
  ixpk= 1538, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 616, 617,
 &end
#
#   38 ASP  HB+          40 LEU  HN          6.00    (#   1539:10        Unique  4.95, 5.64 A)
 &rst
  ixpk= 1539, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 616, 617,
 &end
#
#   38 ASP  HA           40 LEU  HN          5.00    (#   1540:10        Unique  4.41, 4.89 A)
 &rst
  ixpk= 1540, nxpk= 10, iat= 614, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 ASP  HN           39 THR  HN          4.50    (#   1541:10        Unique  3.91, 4.09 A)
 &rst
  ixpk= 1541, nxpk= 10, iat= 600, 624, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 LEU  HN           39 THR  HN          5.00    (#   1542:10        Unique  4.47, 4.59 A)
 &rst
  ixpk= 1542, nxpk= 10, iat= 581, 624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 LEU  HB+          41 GLU  HN          4.00    (#   1543:10        Unique  2.56, 3.49 A)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#  109 THR  HA           40 LEU  HN          5.00    (#   1544:10        Unique  4.07, 4.21 A)
 &rst
  ixpk= 1544, nxpk= 10, iat=1712, 638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1546    40 LEU  HN          6.00    (#   1546:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1546, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 682, 686, 716, 720,
 &end
#
#    0 AMB  10-2:1548    40 LEU  HN          5.00    (#   1548:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1548, nxpk= 10, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 680, 688, 714, 722,
 &end
#
#    0 AMB  10-2:1549    41 GLU  HN          5.00    (#   1549:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1549, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 716, 720, 682, 686,
 &end
#
#   44 PHE  HD           41 GLU  HN          5.00    (#   1551:10        Unique  3.95, 5.14 A)
 &rst
  ixpk= 1551, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 714, 722,
 &end
#
#   40 LEU  HN           41 GLU  HN          5.00    (#   1552:10        Unique  2.78, 4.45 A)
 &rst
  ixpk= 1552, nxpk= 10, iat= 638, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1553    45 MET  HN          6.00    (#   1553:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1553, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1078,1640,1641,1642,
 &end
#
#    0 AMB  10-2:1554    45 MET  HN          5.00    (#   1554:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1554, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1080,1081,1082,1084,1085,1086,1716,1717,1718,1335,
      1336,1337,1339,1340,1341,
 &end
#
#  103 ILE  HB           45 MET  HN          5.00    (#   1555:10        Unique  4.92, 5.07 A)
 &rst
  ixpk= 1555, nxpk= 10, iat=1631, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 GLU  HG-          44 PHE  HN          4.00    (#   1556:10        Unique  2.91, 4.24 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1066,1067,
 &end
#
#   43 PRO  HD-          44 PHE  HN          6.00    (#   1557:10        Unique  5.57, 5.61 A)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 693, 694,
 &end
#
#   66 LEU  HA           44 PHE  HN          5.00    (#   1558:10        Unique  4.26, 4.57 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=1092, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1561    44 PHE  HN          5.00    (#   1561:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1561, nxpk= 10, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 682, 686, 716, 720,
 &end
#
#   44 PHE  HN           45 MET  HN          5.00    (#   1562:10        Unique  4.07, 4.16 A)
 &rst
  ixpk= 1562, nxpk= 10, iat= 706, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  103 ILE  HN           45 MET  HN          5.00    (#   1563:10        Unique  4.60, 4.86 A)
 &rst
  ixpk= 1563, nxpk= 10, iat=1627, 726, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PHE  HE           45 MET  HN          6.00    (#   1564:10        Unique  5.35, 6.53 A)
 &rst
  ixpk= 1564, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 720,
 &end
#
#   44 PHE  HD           46 GLY  HN          6.00    (#   1565:10        Unique  4.20, 6.09 A)
 &rst
  ixpk= 1565, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 714, 722,
 &end
#
#   44 PHE  HE           46 GLY  HN          6.00    (#   1566:10        Unique  4.20, 6.22 A)
 &rst
  ixpk= 1566, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 720,
 &end
#
#  103 ILE  HN           46 GLY  HN          5.00    (#   1567:10        Unique  4.22, 4.46 A)
 &rst
  ixpk= 1567, nxpk= 10, iat=1627, 743, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1568    45 MET  HN          5.00    (#   1568:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1568, nxpk= 10, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1633,1634,1635,1380,1381,1382,
 &end
#
#   63 VAL  MGY          46 GLY  HN          4.00    (#   1569:10        Unique  2.41, 4.91 A)
 &rst
  ixpk= 1569, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  10-2:1570    47 LYS  HN          5.50    (#   1570:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1570, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
      1340,1341,1716,1717,1718,
 &end
#
#   63 VAL  MGY          47 LYS  HN          5.00    (#   1571:10        Unique  5.22, 7.13 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#  100 ILE  HG1-         46 GLY  HN          6.80    (#   1572:10        Unique  3.75, 4.88 A)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
 igr1=1593,1594,
 &end
#
#  101 GLU  HG+          47 LYS  HN          4.50    (#   1574:10        Unique  3.26, 3.99 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1609,1610,
 &end
#
#   47 LYS  HE+          47 LYS  HN          5.50    (#   1575:10        Unique  4.60, 5.20 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 763, 764,
 &end
#
#  102 ALA  HA           46 GLY  HN          5.50    (#   1576:10        Unique  4.41, 5.06 A)
 &rst
  ixpk= 1576, nxpk= 10, iat=1619, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 ILE  HN           47 LYS  HN          4.40    (#   1577:10        Unique  3.45, 3.85 A)
 &rst
  ixpk= 1577, nxpk= 10, iat=1627, 750, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   48 TRP  HN           47 LYS  HN          5.00    (#   1578:10        Unique  4.20, 4.24 A)
 &rst
  ixpk= 1578, nxpk= 10, iat= 772, 750, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HE1          49 LYS  HN          5.00    (#   1579:10        Unique  5.13, 5.25 A)
 &rst
  ixpk= 1579, nxpk= 10, iat= 782, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HN           49 LYS  HN          5.00    (#   1580:10        Unique  4.20, 4.21 A)
 &rst
  ixpk= 1580, nxpk= 10, iat= 772, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 GLU  HN           49 LYS  HN          4.50    (#   1581:10        Unique  3.65, 3.93 A)
 &rst
  ixpk= 1581, nxpk= 10, iat=1602, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 LYS  HN           49 LYS  HN          4.50    (#   1582:10        Unique  4.12, 4.18 A)
 &rst
  ixpk= 1582, nxpk= 10, iat= 818, 796, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TRP  HD1          50 LYS  HN          4.50    (#   1583:10        Unique  3.65, 3.79 A)
 &rst
  ixpk= 1583, nxpk= 10, iat= 780, 818, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TRP  HA           50 LYS  HN          5.50    (#   1584:10        Unique  5.04, 5.16 A)
 &rst
  ixpk= 1584, nxpk= 10, iat= 774, 818, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 GLU  HA           49 LYS  HN          5.00    (#   1585:10        Unique  4.34, 4.54 A)
 &rst
  ixpk= 1585, nxpk= 10, iat= 994, 796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  101 GLU  HB+          49 LYS  HN          5.50    (#   1587:10        Unique  4.25, 4.78 A)
 &rst
  ixpk= 1587, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1606,1607,
 &end
#
#    0 AMB  10-2:1588    49 LYS  HN          5.00    (#   1588:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1588, nxpk= 10, iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1606,1607,1011,1012,
 &end
#
#    0 AMB  10-2:1590    50 LYS  HN          3.00    (#   1590:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1590, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 822, 823, 964, 965, 966,
 &end
#
#   59 GLU  HN           50 LYS  HN          4.00    (#   1591:10        Unique  2.98, 3.32 A)
 &rst
  ixpk= 1591, nxpk= 10, iat= 977, 818, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   50 LYS  HN           51 LYS  HN          5.00    (#   1592:10        Unique  4.14, 4.51 A)
 &rst
  ixpk= 1592, nxpk= 10, iat= 818, 840, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1593    52 SER  HN          6.00    (#   1593:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1593, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 822, 823, 847, 848,
 &end
#
#   51 LYS  HB-          52 SER  HN          5.50    (#   1594:10        Unique  1.91, 3.86 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 844, 845,
 &end
#
#   24 ASP  HB+          27 GLU  HN          3.50    (#   1595:10        Unique  2.13, 2.84 A)
 &rst
  ixpk= 1595, nxpk= 10, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#   59 GLU  HB+          59 GLU  HN          3.00    (#   1596:10        Unique  2.19, 2.90 A)
 &rst
  ixpk= 1596, nxpk= 10, iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 981, 982,
 &end
#
#    0 AMB  10-2:1597    61 LYS  HN          5.50    (#   1597:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1597, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 822, 823, 964, 965, 966,
 &end
#
#   63 VAL  MGY          61 LYS  HN          5.00    (#   1598:10        Unique  4.97, 6.48 A)
 &rst
  ixpk= 1598, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   48 TRP  HB-          61 LYS  HN          4.00    (#   1599:10        Unique  2.30, 3.41 A)
 &rst
  ixpk= 1599, nxpk= 10, iat=  -1,1007, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 776, 777,
 &end
#
#   48 TRP  HD1          61 LYS  HN          5.40    (#   1600:10        Unique  4.54, 4.80 A)
 &rst
  ixpk= 1600, nxpk= 10, iat= 780,1007, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   93 TYR  HD           83 ALA  HN          7.50    (#   1601:10        Unique  4.78, 6.98 A)
 &rst
  ixpk= 1601, nxpk= 10, iat=  -1,1345, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1482,1491,
 &end
#
#   50 LYS  HN           61 LYS  HN          4.00    (#   1602:10        Unique  3.51, 3.79 A)
 &rst
  ixpk= 1602, nxpk= 10, iat= 818,1007, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1603     0 AMB  10-1:1603   5.00    (#   1603:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 772,1074,
 igr2=1029,1345,
 &end
#
#   63 VAL  HN            0 AMB  10-1:1604   5.00    (#   1604:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1604, nxpk= 10, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1029,1345,
 &end
#
#    0 AMB  10-2:1605    63 VAL  HN          5.00    (#   1605:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1605, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 776, 777, 745, 746,
 &end
#
#   48 TRP  HB-          63 VAL  HN          6.00    (#   1606:10        Unique  4.41, 5.24 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 776, 777,
 &end
#
#    0 AMB  10-2:1607    63 VAL  HN          5.00    (#   1607:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1371, 996, 997,
 &end
#
#    0 AMB  10-2:1608    63 VAL  HN          4.50    (#   1608:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1608, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 760, 761,1333,
 &end
#
#    0 AMB  10-2:1609    63 VAL  HN          4.80    (#   1609:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1609, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=1593,1594, 757, 758,1014,1015,1014,1015,
 &end
#
#  103 ILE  QD1          63 VAL  HN          5.00    (#   1610:10        Unique  4.29, 6.05 A)
 &rst
  ixpk= 1610, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1640,1641,1642,
 &end
#
#  100 ILE  QD1          63 VAL  HN          5.00    (#   1611:10        Unique  3.60, 5.11 A)
 &rst
  ixpk= 1611, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#   63 VAL  MGX          63 VAL  HN          3.00    (#   1612:10        Unique  2.19, 3.56 A)
 &rst
  ixpk= 1612, nxpk= 10, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   82 VAL  MGX          64 GLU  HN          5.00    (#   1613:10        Unique  2.06, 4.26 A)
 &rst
  ixpk= 1613, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   66 LEU  MDX          64 GLU  HN          5.00    (#   1614:10        Unique  4.59, 6.29 A)
 &rst
  ixpk= 1614, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1099,1100,1101,1103,1104,1105,
 &end
#
#   85 ILE  HG1+         64 GLU  HN          4.00    (#   1615:10        Unique  3.21, 4.54 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1377,1378,
 &end
#
#   82 VAL  HA           64 GLU  HN          6.00    (#   1616:10        Unique  3.44, 3.85 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=1331,1059, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 VAL  HN           64 GLU  HN          5.00    (#   1617:10        Unique  4.13, 4.23 A)
 &rst
  ixpk= 1617, nxpk= 10, iat=1074,1059, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1618    64 GLU  HN          4.00    (#   1618:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1618, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1043, 743,
 &end
#
#   85 ILE  HN           64 GLU  HN          4.20    (#   1619:10        Unique  3.41, 3.82 A)
 &rst
  ixpk= 1619, nxpk= 10, iat=1367,1059, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   93 TYR  HD           84 ASP  HN          6.00    (#   1621:10        Unique  3.74, 5.44 A)
 &rst
  ixpk= 1621, nxpk= 10, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1482,1491,
 &end
#
#   84 ASP  HA           64 GLU  HN          4.00    (#   1623:10        Unique  4.17, 4.43 A)
 &rst
  ixpk= 1623, nxpk= 10, iat=1357,1059, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 ASP  HA           63 VAL  HN          5.20    (#   1624:10        Unique  4.80, 5.20 A)
 &rst
  ixpk= 1624, nxpk= 10, iat=1357,1043, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1626    64 GLU  HN          3.00    (#   1626:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1626, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1377,1378,1349,1350,1351,
 &end
#
#    0 AMB  10-2:1627     0 AMB  10-1:1627   5.00    (#   1627:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1627, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 803, 804,1035,1036,1037,1377,1378,1377,1378,
 igr2= 772,1074,
 &end
#
#   65 VAL  HN           66 LEU  HN          5.00    (#   1628:10        Unique  4.44, 4.55 A)
 &rst
  ixpk= 1628, nxpk= 10, iat=1074,1090, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1629    66 LEU  HN          6.00    (#   1629:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 680, 688, 714, 722,
 &end
#
#   82 VAL  HA           67 GLY  HN          5.00    (#   1630:10        Unique  4.59, 5.21 A)
 &rst
  ixpk= 1630, nxpk= 10, iat=1331,1109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 VAL  HB           66 LEU  HN          5.50    (#   1633:10        Unique  3.12, 4.00 A)
 &rst
  ixpk= 1633, nxpk= 10, iat=1302,1090, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 LEU  HB+          66 LEU  HN          3.50    (#   1635:10        Unique  2.22, 2.96 A)
 &rst
  ixpk= 1635, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1094,1095,
 &end
#
#    0 AMB  10-2:1636    66 LEU  HN          3.00    (#   1636:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
      1104,1105,1097,
 &end
#
#   80 VAL  HA           67 GLY  HN          5.00    (#   1637:10        Unique  4.00, 4.64 A)
 &rst
  ixpk= 1637, nxpk= 10, iat=1300,1109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1638    68 MET  HN          5.00    (#   1638:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1638, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1135, 602,
 &end
#
#   68 MET  HG+          68 MET  HN          3.00    (#   1639:10        Unique  1.69, 4.06 A)
 &rst
  ixpk= 1639, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1123,1124,
 &end
#
#   68 MET  HB-          68 MET  HN          4.00    (#   1640:10        Unique  2.77, 3.46 A)
 &rst
  ixpk= 1640, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1120,1121,
 &end
#
#   68 MET  HG-          68 MET  HN          4.50    (#   1641:10        Unique  1.69, 4.06 A)
 &rst
  ixpk= 1641, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1123,1124,
 &end
#
#   80 VAL  MGY          68 MET  HN          5.00    (#   1642:10        Unique  3.60, 5.68 A)
 &rst
  ixpk= 1642, nxpk= 10, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#   80 VAL  MGX          69 ALA  HN          5.00    (#   1643:10        Unique  3.66, 5.81 A)
 &rst
  ixpk= 1643, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1304,1305,1306,1308,1309,1310,
 &end
#
#    0 AMB  10-2:1644    69 ALA  HN          4.80    (#   1644:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1644, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1321,1322,1185,1186,
 &end
#
#   68 MET  HG+          69 ALA  HN          4.50    (#   1645:10        Unique  2.49, 3.72 A)
 &rst
  ixpk= 1645, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1123,1124,
 &end
#
#   79 TYR  HB-          69 ALA  HN          4.00    (#   1646:10        Unique  3.08, 4.65 A)
 &rst
  ixpk= 1646, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1281,1282,
 &end
#
#    0 AMB  10-2:1647    69 ALA  HN          5.00    (#   1647:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1647, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1144,1145,1111,1112,
 &end
#
#   70 PRO  HD-          69 ALA  HN          5.00    (#   1648:10        Unique  4.53, 4.86 A)
 &rst
  ixpk= 1648, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1144,1145,
 &end
#
#   70 PRO  HD+          71 ASP  HN          5.50    (#   1650:10        Unique  5.42, 5.57 A)
 &rst
  ixpk= 1650, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1144,1145,
 &end
#
#    0 AMB  10-2:1651    69 ALA  HN          5.00    (#   1651:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1287,1292, 528, 533,
 &end
#
#   80 VAL  HN           69 ALA  HN          5.00    (#   1652:10        Unique  4.19, 4.60 A)
 &rst
  ixpk= 1652, nxpk= 10, iat=1298,1133, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 ASP  HB-          71 ASP  HN          5.00    (#   1654:10        Unique  5.08, 5.79 A)
 &rst
  ixpk= 1654, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1173,1174,
 &end
#
#   75 LEU  MDY          72 ASP  HN          5.00    (#   1655:10        Unique  5.02, 6.51 A)
 &rst
  ixpk= 1655, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   75 LEU  MDX          72 ASP  HN          5.00    (#   1656:10        Unique  5.02, 6.51 A)
 &rst
  ixpk= 1656, nxpk= 10, iat=  -1,1169, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   71 ASP  HN           73 GLU  HN          5.00    (#   1657:10        Unique  4.20, 4.55 A)
 &rst
  ixpk= 1657, nxpk= 10, iat=1157,1181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 LEU  HN           73 GLU  HN          5.00    (#   1658:10        Unique  4.79, 4.95 A)
 &rst
  ixpk= 1658, nxpk= 10, iat=1207,1181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 CYS  HA           73 GLU  HN          5.00    (#   1659:10        Unique  4.61, 4.67 A)
 &rst
  ixpk= 1659, nxpk= 10, iat=1198,1181, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 ASP  HA           73 GLU  HN          4.00    (#   1661:10        Unique  3.30, 3.41 A)
 &rst
  ixpk= 1661, nxpk= 10, iat=1159,1181, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1662    73 GLU  HN          3.00    (#   1662:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1185,1186,1188,1189,
 &end
#
#    0 AMB  10-2:1663    73 GLU  HN          3.80    (#   1663:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1663, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1185,1186,1147,1148,
 &end
#
#   69 ALA  MB           74 CYS  HN          5.00    (#   1664:10        Unique  3.57, 4.79 A)
 &rst
  ixpk= 1664, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  10-2:1665    74 CYS  HN          5.00    (#   1665:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1665, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1211,1212,1233,1234,
 &end
#
#   69 ALA  MB           73 GLU  HN          5.00    (#   1666:10        Unique  3.97, 5.42 A)
 &rst
  ixpk= 1666, nxpk= 10, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1137,1138,1139,
 &end
#
#   74 CYS  HB-          75 LEU  HN          4.50    (#   1667:10        Unique  1.88, 4.09 A)
 &rst
  ixpk= 1667, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   74 CYS  HB+          75 LEU  HN          4.50    (#   1668:10        Unique  1.88, 4.09 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1200,1201,
 &end
#
#   79 TYR  HD           74 CYS  HN          6.00    (#   1669:10        Unique  6.06, 6.77 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1285,1294,
 &end
#
#    0 AMB  10-2:1670    74 CYS  HN          5.50    (#   1670:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1670, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1292, 528, 533,
 &end
#
#   79 TYR  HE           75 LEU  HN          6.00    (#   1671:10        Unique  4.23, 6.99 A)
 &rst
  ixpk= 1671, nxpk= 10, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1287,1292,
 &end
#
#    0 AMB  10-2:1672    74 CYS  HN          6.00    (#   1672:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1672, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1157,1248,
 &end
#
#    0 AMB  10-2:1673    74 CYS  HN          6.00    (#   1673:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1673, nxpk= 10, iat=  -1,1196, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1226,1260,
 &end
#
#   73 GLU  HN           75 LEU  HN          5.00    (#   1674:10        Unique  4.79, 4.95 A)
 &rst
  ixpk= 1674, nxpk= 10, iat=1181,1207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 TYR  HD           76 LYS  HN          6.00    (#   1675:10        Unique  5.49, 7.41 A)
 &rst
  ixpk= 1675, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1285,1294,
 &end
#
#   79 TYR  HE           76 LYS  HN          5.00    (#   1676:10        Unique  4.25, 7.15 A)
 &rst
  ixpk= 1676, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1287,1292,
 &end
#
#   76 LYS  HA           75 LEU  HN          5.20    (#   1677:10        Unique  4.51, 4.66 A)
 &rst
  ixpk= 1677, nxpk= 10, iat=1228,1207, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   73 GLU  HA           75 LEU  HN          4.00    (#   1678:10        Unique  4.28, 4.65 A)
 &rst
  ixpk= 1678, nxpk= 10, iat=1183,1207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 LEU  MDX          76 LYS  HN          5.00    (#   1679:10        Unique  5.07, 6.06 A)
 &rst
  ixpk= 1679, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#   29 ALA  MB           76 LYS  HN          4.00    (#   1680:10        Unique  2.06, 3.14 A)
 &rst
  ixpk= 1680, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 464, 465, 466,
 &end
#
#   29 ALA  MB           77 ASP  HN          5.00    (#   1681:10        Unique  3.61, 4.65 A)
 &rst
  ixpk= 1681, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 464, 465, 466,
 &end
#
#   75 LEU  MDX          77 ASP  HN          6.00    (#   1682:10        Unique  6.94, 7.72 A)
 &rst
  ixpk= 1682, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1216,1217,1218,1220,1221,1222,
 &end
#
#    0 AMB  10-2:1683    77 ASP  HN          6.00    (#   1683:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1683, nxpk= 10, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1214, 481, 482, 483,
 &end
#
#   77 ASP  HB-          76 LYS  HN          5.00    (#   1684:10        Unique  4.51, 5.27 A)
 &rst
  ixpk= 1684, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1252,1253,
 &end
#
#   74 CYS  HB-          76 LYS  HN          5.50    (#   1685:10        Unique  2.98, 4.88 A)
 &rst
  ixpk= 1685, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1200,1201,
 &end
#
#   76 LYS  HE+          76 LYS  HN          5.50    (#   1686:10        Unique  3.78, 4.92 A)
 &rst
  ixpk= 1686, nxpk= 10, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1239,1240,
 &end
#
#   75 LEU  HA           77 ASP  HN          5.00    (#   1688:10        Unique  4.97, 5.18 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=1209,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 MET  HB+          78 MET  HN          3.80    (#   1689:10        Unique  2.28, 3.10 A)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1264,1265,
 &end
#
#    0 AMB  10-2:1690    78 MET  HN          6.00    (#   1690:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1127,1128,1129,1548,1236,1237,
 &end
#
#   78 MET  ME           78 MET  HN          4.00    (#   1691:10        Unique  2.47, 4.10 A)
 &rst
  ixpk= 1691, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1271,1272,1273,
 &end
#
#  124 TYR  HE           78 MET  HN          5.20    (#   1692:10        Unique  4.25, 6.27 A)
 &rst
  ixpk= 1692, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1965,1970,
 &end
#
#   79 TYR  HD           78 MET  HN          5.50    (#   1693:10        Unique  3.27, 5.87 A)
 &rst
  ixpk= 1693, nxpk= 10, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1285,1294,
 &end
#
#   80 VAL  HN           79 TYR  HN          5.00    (#   1694:10        Unique  4.34, 4.38 A)
 &rst
  ixpk= 1694, nxpk= 10, iat=1298,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1695    79 TYR  HN          6.00    (#   1695:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1260,1226,
 &end
#
#    0 AMB  10-2:1696    80 VAL  HN          6.00    (#   1696:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1287,1292, 528, 533,
 &end
#
#   79 TYR  HN           80 VAL  HN          5.00    (#   1697:10        Unique  4.34, 4.38 A)
 &rst
  ixpk= 1697, nxpk= 10, iat=1277,1298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 CYS  HA           79 TYR  HN          5.00    (#   1698:10        Unique  4.16, 4.56 A)
 &rst
  ixpk= 1698, nxpk= 10, iat=1198,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1699    79 TYR  HN          5.00    (#   1699:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1699, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1499,1521,
 &end
#
#   74 CYS  HB+          79 TYR  HN          5.00    (#   1700:10        Unique  3.28, 4.50 A)
 &rst
  ixpk= 1700, nxpk= 10, iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1200,1201,
 &end
#
#   94 THR  HA           80 VAL  HN          4.20    (#   1701:10        Unique  3.33, 3.66 A)
 &rst
  ixpk= 1701, nxpk= 10, iat=1497,1298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    0 AMB  10-2:1702    80 VAL  HN          5.00    (#   1702:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1702, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1314,1495,
 &end
#
#   96 LYS  HB-          80 VAL  HN          6.00    (#   1703:10        Unique  2.97, 4.43 A)
 &rst
  ixpk= 1703, nxpk= 10, iat=  -1,1298, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1523,1524,
 &end
#
#   80 VAL  HN           81 GLU  HN          5.00    (#   1704:10        Unique  4.26, 4.33 A)
 &rst
  ixpk= 1704, nxpk= 10, iat=1298,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 VAL  HN           81 GLU  HN          5.00    (#   1705:10        Unique  4.25, 4.33 A)
 &rst
  ixpk= 1705, nxpk= 10, iat=1329,1314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1706    82 VAL  HN          4.00    (#   1706:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1706, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1314,1495,
 &end
#
#   93 TYR  HD           82 VAL  HN          7.00    (#   1707:10        Unique  4.27, 5.91 A)
 &rst
  ixpk= 1707, nxpk= 10, iat=  -1,1329, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1482,1491,
 &end
#
#    0 AMB  10-2:1708     0 AMB  10-1:1708   3.00    (#   1708:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1708, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1770,1321,1322,
 igr2=1785,1314,
 &end
#
#   81 GLU  HB+          81 GLU  HN          3.00    (#   1709:10        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1709, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1318,1319,
 &end
#
#   81 GLU  HB-          81 GLU  HN          4.00    (#   1710:10        Unique  2.18, 2.88 A)
 &rst
  ixpk= 1710, nxpk= 10, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1318,1319,
 &end
#
#   82 VAL  HA           83 ALA  HN          3.00    (#   1711:10        Unique  2.26, 2.42 A)
 &rst
  ixpk= 1711, nxpk= 10, iat=1331,1345, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   82 VAL  MGX          64 GLU  HN          5.00    (#   1712:10        Unique  2.06, 4.26 A)
 &rst
  ixpk= 1712, nxpk= 10, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   63 VAL  MGX          85 ILE  HN          5.00    (#   1713:10        Unique  2.80, 4.96 A)
 &rst
  ixpk= 1713, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#    0 AMB  10-2:1714    86 GLY  HN          4.00    (#   1714:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1714, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1422,1367,
 &end
#
#   87 GLY  HN           86 GLY  HN          3.00    (#   1715:10        Unique  1.84, 1.88 A)
 &rst
  ixpk= 1715, nxpk= 10, iat=1393,1386, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  10-2:1716    86 GLY  HN          5.00    (#   1716:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1716, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1371,1404,1405,
 &end
#
#    0 AMB  10-2:1717    86 GLY  HN          5.00    (#   1717:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1717, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1377,1378,1407,1408,1349,1350,1351,
 &end
#
#   88 LYS  HG+          89 ASP  HN          5.00    (#   1721:10        Unique  3.57, 4.24 A)
 &rst
  ixpk= 1721, nxpk= 10, iat=  -1,1422, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1407,1408,
 &end
#
#   84 ASP  HN           91 ASP  HN          5.00    (#   1722:10        Unique  4.04, 4.41 A)
 &rst
  ixpk= 1722, nxpk= 10, iat=1355,1446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    0 AMB  10-2:1723    92 VAL  HN          6.00    (#   1723:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1723, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1355,1345,
 &end
#
#   93 TYR  HE           91 ASP  HN          7.00    (#   1724:10        Unique  5.08, 6.51 A)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1484,1489,
 &end
#
#   93 TYR  HD           92 VAL  HN          7.00    (#   1725:10        Unique  3.51, 5.38 A)
 &rst
  ixpk= 1725, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1482,1491,
 &end
#
#   93 TYR  HE           92 VAL  HN          7.00    (#   1726:10        Unique  3.70, 5.48 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1484,1489,
 &end
#
#   91 ASP  HB-          91 ASP  HN          4.00    (#   1727:10        Unique  2.20, 2.94 A)
 &rst
  ixpk= 1727, nxpk= 10, iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1450,1451,
 &end
#
#   91 ASP  HB+          92 VAL  HN          4.00    (#   1728:10        Unique  2.82, 3.61 A)
 &rst
  ixpk= 1728, nxpk= 10, iat=  -1,1458, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1450,1451,
 &end
#
#   93 TYR  HE           93 TYR  HN          6.00    (#   1729:10        Unique  3.91, 4.93 A)
 &rst
  ixpk= 1729, nxpk= 10, iat=  -1,1474, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1484,1489,
 &end
#
#   83 ALA  HA           92 VAL  HN          5.20    (#   1730:10        Unique  4.51, 4.63 A)
 &rst
  ixpk= 1730, nxpk= 10, iat=1347,1458, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1731    94 THR  HN          5.00    (#   1731:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1731, nxpk= 10, iat=  -1,1495, 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
#
#   95 ALA  MB           94 THR  HN          6.50    (#   1732:10        Unique  4.10, 4.95 A)
 &rst
  ixpk= 1732, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1513,1514,1515,
 &end
#
#   82 VAL  MGY          94 THR  HN          7.00    (#   1733:10        Unique  4.75, 7.00 A)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1335,1336,1337,1339,1340,1341,
 &end
#
#   48 TRP  HZ3          94 THR  HN          5.50    (#   1734:10        Unique  4.37, 4.67 A)
 &rst
  ixpk= 1734, nxpk= 10, iat= 789,1495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 TYR  HE           94 THR  HN          7.50    (#   1735:10        Unique  6.90, 7.27 A)
 &rst
  ixpk= 1735, nxpk= 10, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1484,1489,
 &end
#
#   82 VAL  HN           94 THR  HN          5.00    (#   1736:10        Unique  4.68, 4.82 A)
 &rst
  ixpk= 1736, nxpk= 10, iat=1329,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 TYR  HA           95 ALA  HN          6.00    (#   1737:10        Unique  3.67, 4.17 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=1279,1509, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 TYR  HB-          95 ALA  HN          5.50    (#   1738:10        Unique  2.46, 4.20 A)
 &rst
  ixpk= 1738, nxpk= 10, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1281,1282,
 &end
#
#    0 AMB  10-2:1739    96 LYS  HN          5.00    (#   1739:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1739, nxpk= 10, iat=  -1,1519, 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
#
#   99 ASP  HB+          96 LYS  HN          6.00    (#   1740:10        Unique  4.87, 5.48 A)
 &rst
  ixpk= 1740, nxpk= 10, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1575,1576,
 &end
#
#   99 ASP  HN           96 LYS  HN          4.50    (#   1741:10        Unique  3.61, 3.73 A)
 &rst
  ixpk= 1741, nxpk= 10, iat=1571,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 LEU  HN           96 LYS  HN          4.50    (#   1742:10        Unique  3.80, 3.96 A)
 &rst
  ixpk= 1742, nxpk= 10, iat=1541,1519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HE1          97 LEU  HN          5.00    (#   1743:10        Unique  4.99, 5.49 A)
 &rst
  ixpk= 1743, nxpk= 10, iat=1817,1541, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   96 LYS  HN           98 SER  HN          5.00    (#   1744:10        Unique  3.42, 3.65 A)
 &rst
  ixpk= 1744, nxpk= 10, iat=1519,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  116 TRP  HD1          98 SER  HN          5.00    (#   1746:10        Unique  4.72, 5.32 A)
 &rst
  ixpk= 1746, nxpk= 10, iat=1815,1560, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   97 LEU  HB-          97 LEU  HN          3.00    (#   1748:10        Unique  2.20, 2.98 A)
 &rst
  ixpk= 1748, nxpk= 10, iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1545,1546,
 &end
#
#   99 ASP  HB-          98 SER  HN          6.00    (#   1749:10        Unique  4.92, 5.39 A)
 &rst
  ixpk= 1749, nxpk= 10, iat=  -1,1560, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1575,1576,
 &end
#
#   96 LYS  HN           99 ASP  HN          5.00    (#   1750:10        Unique  3.61, 3.73 A)
 &rst
  ixpk= 1750, nxpk= 10, iat=1519,1571, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LYS  HN           99 ASP  HN          6.00    (#   1751:10        Unique  5.83, 5.95 A)
 &rst
  ixpk= 1751, nxpk= 10, iat= 796,1571, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  120 LEU  MDY          99 ASP  HN          5.00    (#   1752:10        Unique  5.11, 7.38 A)
 &rst
  ixpk= 1752, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1904,1905,1906,1908,1909,1910,
 &end
#
#  117 LEU  MDY          99 ASP  HN          5.00    (#   1753:10        Unique  3.45, 5.36 A)
 &rst
  ixpk= 1753, nxpk= 10, iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1840,1841,1842,1844,1845,1846,
 &end
#
#   98 SER  HN          100 ILE  HN          5.00    (#   1754:10        Unique  4.60, 4.74 A)
 &rst
  ixpk= 1754, nxpk= 10, iat=1560,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LYS  HN          100 ILE  HN          5.00    (#   1755:10        Unique  4.29, 4.50 A)
 &rst
  ixpk= 1755, nxpk= 10, iat= 796,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HE1          99 ASP  HN          5.20    (#   1756:10        Unique  4.68, 4.77 A)
 &rst
  ixpk= 1756, nxpk= 10, iat= 782,1571, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1757   100 ILE  HN          6.00    (#   1757:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1757, nxpk= 10, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1904,1905,1906,1908,1909,1910,1335,1336,1337,1339,
      1340,1341,
 &end
#
#  100 ILE  HG1+        101 GLU  HN          4.00    (#   1758:10        Unique  1.82, 2.87 A)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1593,1594,
 &end
#
#    0 AMB  10-2:1759   101 GLU  HN          5.00    (#   1759:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1759, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
      1555,1556,
 &end
#
#    0 AMB  10-2:1760   101 GLU  HN          5.00    (#   1760:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1,1602, 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
#
#   48 TRP  HA          100 ILE  HN          5.00    (#   1763:10        Unique  4.45, 4.50 A)
 &rst
  ixpk= 1763, nxpk= 10, iat= 774,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   48 TRP  HD1         100 ILE  HN          5.00    (#   1764:10        Unique  5.20, 5.44 A)
 &rst
  ixpk= 1764, nxpk= 10, iat= 780,1583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   49 LYS  HN          101 GLU  HN          4.00    (#   1765:10        Unique  3.65, 3.93 A)
 &rst
  ixpk= 1765, nxpk= 10, iat= 796,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  100 ILE  HA          100 ILE  HN          3.50    (#   1766:10        Unique  2.91, 2.92 A)
 &rst
  ixpk= 1766, nxpk= 10, iat=1585,1583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLY  HA+         101 GLU  HN          4.50    (#   1767:10        Unique  3.33, 3.73 A)
 &rst
  ixpk= 1767, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 745, 746,
 &end
#
#   49 LYS  HE+         101 GLU  HN          6.00    (#   1768:10        Unique  4.63, 6.45 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=  -1,1602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 809, 810,
 &end
#
#   46 GLY  HA+         102 ALA  HN          5.00    (#   1769:10        Unique  4.04, 4.55 A)
 &rst
  ixpk= 1769, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 745, 746,
 &end
#
#   46 GLY  HA-         102 ALA  HN          5.50    (#   1770:10        Unique  4.04, 4.55 A)
 &rst
  ixpk= 1770, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 745, 746,
 &end
#
#   47 LYS  HN          101 GLU  HN          4.00    (#   1771:10        Unique  2.23, 2.37 A)
 &rst
  ixpk= 1771, nxpk= 10, iat= 750,1602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  103 ILE  HN          102 ALA  HN          5.00    (#   1772:10        Unique  4.18, 4.32 A)
 &rst
  ixpk= 1772, nxpk= 10, iat=1627,1617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   44 PHE  HE          102 ALA  HN          5.00    (#   1773:10        Unique  3.50, 6.40 A)
 &rst
  ixpk= 1773, nxpk= 10, iat=  -1,1617, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 716, 720,
 &end
#
#   44 PHE  HE          103 ILE  HN          4.20    (#   1774:10        Unique  3.46, 6.15 A)
 &rst
  ixpk= 1774, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 716, 720,
 &end
#
#    0 AMB  10-2:1776   105 VAL  HN          5.00    (#   1776:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1776, nxpk= 10, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1676,1619,
 &end
#
#  109 THR  MG2         106 ASP  HN          4.00    (#   1777:10        Unique  3.69, 4.63 A)
 &rst
  ixpk= 1777, nxpk= 10, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1716,1717,1718,
 &end
#
#  105 VAL  MGX         111 GLU  HN          5.00    (#   1778:10        Unique  5.12, 7.00 A)
 &rst
  ixpk= 1778, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1664,1665,1666,1668,1669,1670,
 &end
#
#  114 ALA  MB          111 GLU  HN          5.00    (#   1779:10        Unique  4.67, 5.86 A)
 &rst
  ixpk= 1779, nxpk= 10, iat=  -1,1741, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1789,1790,1791,
 &end
#
#  112 ALA  HN          113 ILE  HN          3.50    (#   1780:10        Unique  2.87, 2.96 A)
 &rst
  ixpk= 1780, nxpk= 10, iat=1756,1766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 ASP  HN          113 ILE  HN          5.00    (#   1781:10        Unique  4.09, 4.48 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=1795,1766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 LEU  HN          114 ALA  HN          5.00    (#   1782:10        Unique  4.61, 4.82 A)
 &rst
  ixpk= 1782, nxpk= 10, iat=1831,1785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  117 LEU  HN          115 ASP  HN          5.00    (#   1783:10        Unique  3.98, 4.47 A)
 &rst
  ixpk= 1783, nxpk= 10, iat=1831,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  112 ALA  HN          115 ASP  HN          5.00    (#   1784:10        Unique  4.56, 4.76 A)
 &rst
  ixpk= 1784, nxpk= 10, iat=1756,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  113 ILE  HN          115 ASP  HN          5.00    (#   1785:10        Unique  4.09, 4.48 A)
 &rst
  ixpk= 1785, nxpk= 10, iat=1766,1795, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 GLN  HE2+        115 ASP  HN          5.80    (#   1786:10        Unique  4.52, 5.07 A)
 &rst
  ixpk= 1786, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1736,1737,
 &end
#
#    0 AMB  10-2:1787     0 AMB  10-1:1787   5.00    (#   1787:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1120,1121,1731,1732,
 igr2=1314,1785,
 &end
#
#    0 AMB  10-2:1788     0 AMB  10-1:1788   6.00    (#   1788:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1788, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1799,1800, 676, 677,
 igr2=1785,1314,
 &end
#
#  113 ILE  HB          115 ASP  HN          5.20    (#   1789:10        Unique  4.70, 5.04 A)
 &rst
  ixpk= 1789, nxpk= 10, iat=1770,1795, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#    0 AMB  10-2:1790   115 ASP  HN          6.00    (#   1790:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
      1555,1556,
 &end
#
#    0 AMB  10-2:1792   116 TRP  HN          5.00    (#   1792:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1792, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1789,1790,1791,1545,1546, 231, 232, 233,
 &end
#
#  116 TRP  HB-         115 ASP  HN          5.00    (#   1793:10        Unique  4.80, 5.35 A)
 &rst
  ixpk= 1793, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1811,1812,
 &end
#
#  114 ALA  HA          116 TRP  HN          5.00    (#   1794:10        Unique  4.06, 4.39 A)
 &rst
  ixpk= 1794, nxpk= 10, iat=1787,1807, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  110 GLN  HE2-        115 ASP  HN          5.20    (#   1796:10        Unique  4.52, 5.07 A)
 &rst
  ixpk= 1796, nxpk= 10, iat=  -1,1795, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1736,1737,
 &end
#
#  110 GLN  HE2-        116 TRP  HN          7.00    (#   1797:10        Unique  6.64, 7.00 A)
 &rst
  ixpk= 1797, nxpk= 10, iat=  -1,1807, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1736,1737,
 &end
#
#  116 TRP  HD1         117 LEU  HN          4.50    (#   1798:10        Unique  2.46, 3.30 A)
 &rst
  ixpk= 1798, nxpk= 10, iat=1815,1831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 TRP  HA          117 LEU  HN          4.00    (#   1799:10        Unique  3.51, 3.56 A)
 &rst
  ixpk= 1799, nxpk= 10, iat=1809,1831, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    0 AMB  10-2:1802   117 LEU  HN          5.50    (#   1802:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1802, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
      1909,1910,
 &end
#
#  120 LEU  HN          117 LEU  HN          5.50    (#   1805:10        Unique  4.68, 4.84 A)
 &rst
  ixpk= 1805, nxpk= 10, iat=1895,1831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  118 TYR  HE          117 LEU  HN          6.00    (#   1806:10        Unique  5.54, 6.21 A)
 &rst
  ixpk= 1806, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1860,1865,
 &end
#
#  110 GLN  HE2+        117 LEU  HN          7.00    (#   1807:10        Unique  6.61, 7.12 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1736,1737,
 &end
#
#  115 ASP  HN          117 LEU  HN          5.00    (#   1808:10        Unique  3.98, 4.47 A)
 &rst
  ixpk= 1808, nxpk= 10, iat=1795,1831, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HE          119 TRP  HN          7.50    (#   1809:10        Unique  6.86, 9.98 A)
 &rst
  ixpk= 1809, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1965,1970,
 &end
#
#  119 TRP  HD1           0 AMB  10-1:1811   4.50    (#   1811:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1811, nxpk= 10, iat=1879,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1871,1850,
 &end
#
#  119 TRP  HB+         119 TRP  HN          3.00    (#   1812:10        Unique  2.08, 2.62 A)
 &rst
  ixpk= 1812, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1875,1876,
 &end
#
#    0 AMB  10-2:1813     0 AMB  10-1:1813   3.00    (#   1813:10        Double  0.00, 0.00  )
 &rst
  ixpk= 1813, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1854,1855,1875,1876,
 igr2=1871,1850,
 &end
#
#  116 TRP  HA          120 LEU  HN          4.50    (#   1814:10        Unique  3.81, 4.06 A)
 &rst
  ixpk= 1814, nxpk= 10, iat=1809,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1815   120 LEU  HN          5.00    (#   1815:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1815, nxpk= 10, iat=  -1,1895, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1852,1957,
 &end
#
#  122 ARG  HG-         121 ALA  HN          7.50    (#   1816:10        Unique  6.31, 7.14 A)
 &rst
  ixpk= 1816, nxpk= 10, iat=  -1,1914, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
 igr1=1931,1932,
 &end
#
#  121 ALA  HN          123 GLY  HN          5.00    (#   1818:10        Unique  3.92, 4.28 A)
 &rst
  ixpk= 1818, nxpk= 10, iat=1914,1948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  124 TYR  HE          122 ARG  HN          6.30    (#   1819:10        Unique  6.70, 8.93 A)
 &rst
  ixpk= 1819, nxpk= 10, iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1965,1970,
 &end
#
#  122 ARG  HE          122 ARG  HN          5.40    (#   1820:10        Unique  4.51, 5.76 A)
 &rst
  ixpk= 1820, nxpk= 10, iat=1937,1924, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  118 TYR  HA          122 ARG  HN          4.50    (#   1821:10        Unique  3.46, 4.00 A)
 &rst
  ixpk= 1821, nxpk= 10, iat=1852,1924, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  122 ARG  HD+         124 TYR  HN          7.00    (#   1824:10        Unique  5.94, 7.84 A)
 &rst
  ixpk= 1824, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1934,1935,
 &end
#
#    0 AMB  10-2:1825   124 TYR  HN          6.00    (#   1825:10        Single  0.00, 0.00  )
 &rst
  ixpk= 1825, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1980,1981,1986,1987,
 &end
#
#  126 PHE  HD          125 LYS  HN          5.00    (#   1829:10        Unique  2.83, 6.23 A)
 &rst
  ixpk= 1829, nxpk= 10, iat=  -1,1976, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=2006,2014,
 &end
#
#  124 TYR  HB+         126 PHE  HN          4.20    (#   1830:10        Unique  2.54, 3.69 A)
 &rst
  ixpk= 1830, nxpk= 10, iat=  -1,1998, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1959,1960,
 &end
#
#   25 LYS  HA           25 LYS  HN          3.50    (#   1831:10        Unique  2.73, 2.76 A)
 &rst
  ixpk= 1831, nxpk= 10, iat= 386, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 LEU  HB-          41 GLU  HN          4.00    (#   1832:10        Unique  2.56, 3.49 A)
 &rst
  ixpk= 1832, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 642, 643,
 &end
#
#  118 TYR  HB+         117 LEU  HN          7.00    (#   1833:10        Unique  4.96, 5.88 A)
 &rst
  ixpk= 1833, nxpk= 10, iat=  -1,1831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1854,1855,
 &end
#
#  103 ILE  HG1+        103 ILE  HN          4.00    (#   1834:10        Unique  2.71, 4.08 A)
 &rst
  ixpk= 1834, nxpk= 10, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1637,1638,
 &end
#
#   11 GLU  HB-          12 HIS  HN          4.50    (#   1835:10        Unique  1.96, 2.58 A)
 &rst
  ixpk= 1835, nxpk= 10, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 166, 167,
 &end
#
#   70 PRO  HD-          71 ASP  HN          6.00    (#   1836:10        Unique  5.42, 5.57 A)
 &rst
  ixpk= 1836, nxpk= 10, iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1144,1145,
 &end
#
#  100 ILE  QD1          47 LYS  HN          5.00    (#   1837:10        Unique  2.72, 5.07 A)
 &rst
  ixpk= 1837, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1596,1597,1598,
 &end
#
#  103 ILE  QD1          47 LYS  HN          3.00    (#   1838:10        Unique  1.99, 2.70 A)
 &rst
  ixpk= 1838, nxpk= 10, iat=  -1, 750, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1640,1641,1642,
 &end
#
#   37 ASP  HB+          36 LEU  HN          6.00    (#   1856:10        Unique  4.56, 5.28 A)
 &rst
  ixpk= 1856, nxpk= 10, iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 604, 605,
 &end
#
#   51 LYS  HA           59 GLU  HN          4.00    (#   1857:10        Unique  2.87, 3.41 A)
 &rst
  ixpk= 1857, nxpk= 10, iat= 842, 977, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 GLU  HG-          15 GLU  HN          5.50    (#   1858:10        Unique  3.81, 4.17 A)
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 244, 245,
 &end
#
#   63 VAL  MGX          46 GLY  HN          6.00    (#   1859:10        Unique  2.41, 4.91 A)
 &rst
  ixpk= 1859, nxpk= 10, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1049,1050,1051,1053,1054,1055,
 &end
#
#   95 ALA  HA           94 THR  HN          6.50    (#   1860:10        Unique  5.35, 5.49 A)
 &rst
  ixpk= 1860, nxpk= 10, iat=1511,1495, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
#    8 GLU  HN           10 ARG  HN          4.90    (#   1861:10        Unique  3.54, 3.77 A)
 &rst
  ixpk= 1861, nxpk= 10, iat= 109, 138, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   34 TYR  HA           37 ASP  HN          4.00    (#   1862:10        Unique  3.85, 4.05 A)
 &rst
  ixpk= 1862, nxpk= 10, iat= 541, 600, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end


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