NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
492486 2kcw 16098 cing 1-original 5 AMBER distance NOE ambi


#
#  114 VAL  MGX         114 VAL  HA          2.80    (#      0:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#    0 AMB  25-2:1      114 VAL  HA          2.80    (#      1:25  Single Ambig)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1767,1768,1769,1771,1772,1773,1649,1650,1651,1653,
      1654,1655,
 &end
#
#    0 AMB  25-2:2      114 VAL  HA          3.50    (#      2:25  Single Ambig)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1808,1809,1808,1809,
 &end
#
#  114 VAL  HB          114 VAL  HA          3.50    (#      3:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 3, nxpk= 25, iat=1765,1763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 VAL  HN          114 VAL  HA          2.80    (#      4:25  Unique         2.79, 2.80 A)
 &rst
  ixpk= 4, nxpk= 25, iat=1761,1763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 VAL  HN           92 VAL  HA          2.80    (#      5:25  Unique         2.82, 2.82 A)
 &rst
  ixpk= 5, nxpk= 25, iat=1438,1440, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:6       92 VAL  HA          2.80    (#      6:25  Single Ambig)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1490,1491,1492,1423,1424,
 &end
#
#   92 VAL  MGX          92 VAL  HA          2.80    (#      7:25  Unique         2.57, 3.11 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:8       92 VAL  HA          2.80    (#      8:25  Single Ambig)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1444,1445,1446,1448,1449,1450,1204,1205,1206,1208,
      1209,1210,
 &end
#
#   92 VAL  HB           92 VAL  HA          3.50    (#      9:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 9, nxpk= 25, iat=1442,1440, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:10      92 VAL  HA          3.50    (#     10:25  Single Ambig)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1167,1168,1169,1423,1424,
 &end
#
#   37 THR  MG2          37 THR  HA          2.80    (#     11:25  Unique         2.73, 3.37 A)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1, 590, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 594, 595, 596,
 &end
#
#   43 VAL  MGY          43 VAL  HA          2.80    (#     12:25  Unique         2.35, 3.11 A)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   43 VAL  MGX          43 VAL  HA          2.80    (#     13:25  Unique         2.35, 3.11 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   43 VAL  HB           43 VAL  HA          3.50    (#     14:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 14, nxpk= 25, iat= 686, 684, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 THR  HN           37 THR  HA          3.50    (#     15:25  Unique         2.88, 2.90 A)
 &rst
  ixpk= 15, nxpk= 25, iat= 588, 590, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:16      37 THR  HA          2.80    (#     16:25  Single Ambig)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1, 590, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 640, 641, 640, 641,
 &end
#
#    0 AMB  25-2:17      17 VAL  HA          2.80    (#     17:25  Single Ambig)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 &end
#
#   17 VAL  HB           17 VAL  HA          3.50    (#     18:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 18, nxpk= 25, iat= 276, 274, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 VAL  HN           17 VAL  HA          2.80    (#     19:25  Unique         2.75, 2.75 A)
 &rst
  ixpk= 19, nxpk= 25, iat= 272, 274, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 VAL  HN           90 VAL  HA          2.80    (#     20:25  Unique         2.80, 2.82 A)
 &rst
  ixpk= 20, nxpk= 25, iat=1403,1405, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 VAL  MGX          90 VAL  HA          2.80    (#     21:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 21, nxpk= 25, iat=  -1,1405, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#   90 VAL  MGY          90 VAL  HA          2.80    (#     22:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,1405, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#    0 AMB  25-2:23      90 VAL  HA          2.80    (#     23:25  Single Ambig)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,1405, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1458,1459,1407,
 &end
#
#   93 GLU  HB-          90 VAL  HA          2.80    (#     24:25  Unique         2.70, 3.60 A)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,1405, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1458,1459,
 &end
#
#   19 ILE  MG2          19 ILE  HA          2.80    (#     25:25  Unique         2.59, 3.26 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1, 300, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 304, 305, 306,
 &end
#
#   90 VAL  MGX          87 VAL  HA          2.80    (#     26:25  Unique         2.00, 3.67 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#   43 VAL  MGY          17 VAL  HA          4.50    (#     28:25  Unique         2.99, 5.11 A)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   93 GLU  HN           90 VAL  HA          3.50    (#     29:25  Unique         3.46, 3.50 A)
 &rst
  ixpk= 29, nxpk= 25, iat=1454,1405, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 ILE  HN           19 ILE  HA          3.50    (#     30:25  Unique         2.79, 2.80 A)
 &rst
  ixpk= 30, nxpk= 25, iat= 298, 300, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 VAL  HN           87 VAL  HA          3.50    (#     31:25  Unique         2.86, 2.90 A)
 &rst
  ixpk= 31, nxpk= 25, iat=1403,1358, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 VAL  HN           87 VAL  HA          4.50    (#     32:25  Unique         2.75, 2.79 A)
 &rst
  ixpk= 32, nxpk= 25, iat=1356,1358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   87 VAL  HB           87 VAL  HA          3.50    (#     33:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 33, nxpk= 25, iat=1360,1358, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 ILE  HG1+         19 ILE  HA          3.50    (#     34:25  Unique         2.28, 2.64 A)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1, 300, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 308, 309,
 &end
#
#   49 GLU  HN           48 PRO  HA          3.50    (#     35:25  Unique         3.32, 3.33 A)
 &rst
  ixpk= 35, nxpk= 25, iat= 786, 782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 PRO  HB-          48 PRO  HA          2.80    (#     36:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 779, 780,
 &end
#
#    0 AMB  25-2:37      48 PRO  HA          3.50    (#     37:25  Single Ambig)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 776, 777, 832,
 &end
#
#   19 ILE  HB           19 ILE  HA          3.50    (#     38:25  Unique         3.01, 3.01 A)
 &rst
  ixpk= 38, nxpk= 25, iat= 302, 300, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 GLY  HA-          48 PRO  HA          3.50    (#     39:25  Unique         1.94, 2.43 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 218, 219,
 &end
#
#   48 PRO  HG+          48 PRO  HA          3.50    (#     40:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 776, 777,
 &end
#
#  128 SER  HN          128 SER  HB+         3.50    (#     41:25  Unique         2.35, 2.94 A)
 &rst
  ixpk= 41, nxpk= 25, iat=1995,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1999,2000,
 &end
#
#  128 SER  HN          128 SER  HB-         3.50    (#     42:25  Unique         2.35, 2.94 A)
 &rst
  ixpk= 42, nxpk= 25, iat=1995,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1999,2000,
 &end
#
#  130 VAL  HN          128 SER  HB+         4.50    (#     43:25  Unique         2.90, 3.85 A)
 &rst
  ixpk= 43, nxpk= 25, iat=2021,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1999,2000,
 &end
#
#  130 VAL  HN          128 SER  HB-         4.50    (#     44:25  Unique         2.90, 3.85 A)
 &rst
  ixpk= 44, nxpk= 25, iat=2021,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1999,2000,
 &end
#
#    4 SER  HN            4 SER  HB+         4.50    (#     45:25  Unique         3.19, 3.62 A)
 &rst
  ixpk= 45, nxpk= 25, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  60,  61,
 &end
#
#    5 ILE  HN            4 SER  HB+         2.80    (#     46:25  Unique         2.60, 2.90 A)
 &rst
  ixpk= 46, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  60,  61,
 &end
#
#    4 SER  HN            4 SER  HB-         3.50    (#     47:25  Unique         3.19, 3.62 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  60,  61,
 &end
#
#    5 ILE  HN            4 SER  HB-         2.80    (#     48:25  Unique         2.60, 2.90 A)
 &rst
  ixpk= 48, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  60,  61,
 &end
#
#    0 AMB  25-2:49      80 PRO  HA          3.50    (#     49:25  Single Ambig)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,1275, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1314,1315,1314,1315,
 &end
#
#    0 AMB  25-2:51       0 AMB  25-1:51     3.50    (#     51:25  Double Ambig)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 490, 520,
 igr2= 511, 512, 511, 512,
 &end
#
#   96 LEU  HA          100 PRO  HA          3.50    (#     52:25  Unique         3.55, 3.57 A)
 &rst
  ixpk= 52, nxpk= 25, iat=1498,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 PHE  HN           45 SER  HB+         3.50    (#     53:25  Unique         3.73, 4.05 A)
 &rst
  ixpk= 53, nxpk= 25, iat= 733,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 726, 727,
 &end
#
#   46 PHE  HN           45 SER  HB-         4.50    (#     54:25  Unique         3.73, 4.05 A)
 &rst
  ixpk= 54, nxpk= 25, iat= 733,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 726, 727,
 &end
#
#   21 CYS  HB+          21 CYS  HA          2.80    (#     55:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1, 343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 345, 346,
 &end
#
#  124 VAL  HB          124 VAL  HA          3.50    (#     57:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 57, nxpk= 25, iat=1938,1936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 SER  HA           69 SER  HB-         2.80    (#     58:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 58, nxpk= 25, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1108,1109,
 &end
#
#  104 THR  MG2         104 THR  HA          3.50    (#     59:25  Unique         3.54, 3.90 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,1617, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1621,1622,1623,
 &end
#
#  120 VAL  HB          120 VAL  HA          3.50    (#     60:25  Unique         3.01, 3.01 A)
 &rst
  ixpk= 60, nxpk= 25, iat=1873,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 MET  HB+         104 THR  HA          4.50    (#     61:25  Unique         1.98, 2.85 A)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,1617, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1160,1161,
 &end
#
#   52 LEU  HN           51 PRO  HA          2.80    (#     62:25  Unique         2.51, 2.54 A)
 &rst
  ixpk= 62, nxpk= 25, iat= 825, 821, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 MET  HN           97 SER  HA          4.50    (#     64:25  Unique         3.53, 3.54 A)
 &rst
  ixpk= 64, nxpk= 25, iat=1526,1517, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 SER  HB-          45 SER  HA          2.80    (#     67:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1, 724, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 726, 727,
 &end
#
#  144 TYR  HB-         144 TYR  HA          2.80    (#     68:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2243,2244,
 &end
#
#  144 TYR  HB+         144 TYR  HA          2.80    (#     69:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2243,2244,
 &end
#
#    0 AMB  25-2:70     144 TYR  HA          3.50    (#     70:25  Single Ambig)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#   92 VAL  MGX          89 ARG  HA          3.50    (#     71:25  Unique         2.84, 4.23 A)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#   34 GLU  HB-          34 GLU  HA          2.80    (#     72:25  Unique         2.41, 2.79 A)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1, 530, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 532, 533,
 &end
#
#    0 AMB  25-2:73       0 AMB  25-1:73     2.80    (#     73:25  Double Ambig)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 535, 536, 606, 607,
 igr2= 530, 604,
 &end
#
#   14 GLU  HG-          14 GLU  HA          2.80    (#     74:25  Unique         2.16, 2.80 A)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 230, 231,
 &end
#
#    0 AMB  25-2:75      14 GLU  HA          2.80    (#     75:25  Single Ambig)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 227, 228, 227, 228,
 &end
#
#    0 AMB  25-2:76      22 ARG  HA          2.80    (#     76:25  Single Ambig)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 356, 357, 359, 360,
 &end
#
#    0 AMB  25-2:77      14 GLU  HA          2.80    (#     77:25  Single Ambig)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#  114 VAL  MGY         111 GLU  HA          3.50    (#     78:25  Unique         2.00, 3.95 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#  111 GLU  HG+         111 GLU  HA          2.80    (#     79:25  Unique         2.18, 2.99 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1726,1727,
 &end
#
#    0 AMB  25-2:80     111 GLU  HA          2.80    (#     80:25  Single Ambig)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1723,1724,1723,1724,
 &end
#
#  114 VAL  MGX         111 GLU  HA          2.80    (#     81:25  Unique         2.00, 3.95 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#   93 GLU  HG+          93 GLU  HA          2.80    (#     82:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1461,1462,
 &end
#
#   93 GLU  HG-          93 GLU  HA          2.80    (#     83:25  Unique         2.25, 2.68 A)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1461,1462,
 &end
#
#   93 GLU  HB-          93 GLU  HA          2.80    (#     84:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1458,1459,
 &end
#
#   96 LEU  HB+          93 GLU  HA          2.80    (#     85:25  Unique         2.45, 3.14 A)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1500,1501,
 &end
#
#   96 LEU  HG           93 GLU  HA          4.50    (#     86:25  Unique         4.50, 4.51 A)
 &rst
  ixpk= 86, nxpk= 25, iat=1503,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 LEU  HB-          93 GLU  HA          3.50    (#     87:25  Unique         2.45, 3.14 A)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1500,1501,
 &end
#
#   92 VAL  MGY          93 GLU  HA          3.50    (#     88:25  Unique         3.39, 5.53 A)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:89      93 GLU  HA          2.80    (#     89:25  Single Ambig)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#   44 ARG  HB+          44 ARG  HA          2.80    (#     91:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 702, 703,
 &end
#
#    0 AMB  25-2:92      44 ARG  HA          2.80    (#     92:25  Single Ambig)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 705, 706, 705, 706,
 &end
#
#    0 AMB  25-2:93      44 ARG  HA          2.80    (#     93:25  Single Ambig)
 &rst
  ixpk= 93, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#   45 SER  HN           45 SER  HA          3.50    (#     94:25  Unique         2.95, 2.95 A)
 &rst
  ixpk= 94, nxpk= 25, iat= 722, 724, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 HIS  HB+          94 HIS  HA          2.80    (#     95:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1473,1474,
 &end
#
#  118 LYS  HG+         118 LYS  HA          3.50    (#     96:25  Unique         2.03, 2.65 A)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1832,1833,
 &end
#
#   66 MET  HN           54 VAL  HA          3.50    (#     97:25  Unique         3.45, 3.54 A)
 &rst
  ixpk= 97, nxpk= 25, iat=1049, 870, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ALA  HN           94 HIS  HA          3.50    (#     98:25  Unique         3.54, 3.55 A)
 &rst
  ixpk= 98, nxpk= 25, iat=1486,1471, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:99       0 AMB  25-1:99     2.80    (#     99:25  Double Ambig)
 &rst
  ixpk= 99, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 352, 272,
 igr2= 354, 225,
 &end
#
#    0 AMB  25-2:100     94 HIS  HA          2.80    (#    100:25  Single Ambig)
 &rst
  ixpk= 100, nxpk= 25, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1519,1520,1519,1520,
 &end
#
#   54 VAL  MGX          54 VAL  HA          3.50    (#    101:25  Unique         2.15, 3.27 A)
 &rst
  ixpk= 101, nxpk= 25, iat=  -1, 870, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   41 ASP  HB+          38 GLU  HA          3.50    (#    102:25  Unique         2.85, 3.48 A)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 655, 656,
 &end
#
#  113 ALA  HN          112 GLN  HA          3.50    (#    103:25  Unique         3.53, 3.56 A)
 &rst
  ixpk= 103, nxpk= 25, iat=1751,1736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 LEU  HB+          47 LEU  HA          2.80    (#    104:25  Unique         2.68, 2.82 A)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 757, 758,
 &end
#
#   47 LEU  HB-          47 LEU  HA          2.80    (#    105:25  Unique         2.68, 2.82 A)
 &rst
  ixpk= 105, nxpk= 25, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 757, 758,
 &end
#
#  112 GLN  HG+         112 GLN  HA          2.80    (#    106:25  Unique         2.14, 2.80 A)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,1736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1741,1742,
 &end
#
#    0 AMB  25-2:107      0 AMB  25-1:107    2.80    (#    107:25  Double Ambig)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 190, 191, 190, 191, 928, 929, 928, 929,
 igr2= 188, 926,
 &end
#
#    0 AMB  25-2:108    112 GLN  HA          2.80    (#    108:25  Single Ambig)
 &rst
  ixpk= 108, nxpk= 25, iat=  -1,1736, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1738,1739,1738,1739,
 &end
#
#   91 LEU  HN           91 LEU  HA          3.50    (#    109:25  Unique         2.76, 2.78 A)
 &rst
  ixpk= 109, nxpk= 25, iat=1419,1421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 LYS  HN          119 LYS  HA          2.80    (#    110:25  Unique         2.77, 2.77 A)
 &rst
  ixpk= 110, nxpk= 25, iat=1847,1849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 GLU  HB-         108 GLU  HA          2.80    (#    111:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,1675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1677,1678,
 &end
#
#  108 GLU  HG-         108 GLU  HA          2.80    (#    112:25  Unique         2.03, 2.66 A)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,1675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1680,1681,
 &end
#
#   36 ARG  HB+          36 ARG  HA          2.80    (#    114:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 568, 569,
 &end
#
#    0 AMB  25-2:115    108 GLU  HA          2.80    (#    115:25  Single Ambig)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,1675, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 &end
#
#    0 AMB  25-2:116     91 LEU  HA          3.50    (#    116:25  Single Ambig)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1409,1410,1411,1413,1414,1415,1204,1205,1206,1208,
      1209,1210,
 &end
#
#   78 ILE  HB           78 ILE  HA          3.50    (#    117:25  Unique         3.00, 3.01 A)
 &rst
  ixpk= 117, nxpk= 25, iat=1238,1236, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:118     11 GLU  HA          3.50    (#    118:25  Single Ambig)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 193, 194, 193, 194,
 &end
#
#   63 VAL  MGY          56 VAL  HA          2.80    (#    120:25  Unique         2.90, 4.60 A)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1, 896, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#   42 LEU  MDY          42 LEU  HA          3.50    (#    121:25  Unique         3.53, 4.70 A)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1, 665, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 672, 673, 674, 676, 677, 678,
 &end
#
#    0 AMB  25-2:122     16 LEU  HA          2.80    (#    122:25  Single Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1, 255, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#   16 LEU  HN           16 LEU  HA          3.50    (#    123:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 123, nxpk= 25, iat= 253, 255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 SER  HB+           8 SER  HA          2.80    (#    124:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 138, 139,
 &end
#
#   33 ALA  MB           32 SER  HA          4.50    (#    125:25  Unique         4.33, 5.16 A)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 522, 523, 524,
 &end
#
#  129 GLU  HB-         129 GLU  HA          2.80    (#    126:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 126, nxpk= 25, iat=  -1,2008, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2010,2011,
 &end
#
#   77 PHE  HB-          77 PHE  HA          3.50    (#    127:25  Unique         2.51, 2.78 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1218,1219,
 &end
#
#    0 AMB  25-2:128     74 ASP  HA          3.50    (#    128:25  Single Ambig)
 &rst
  ixpk= 128, nxpk= 25, iat=  -1,1175, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1152,1638,1639,
 &end
#
#    0 AMB  25-2:129     35 TYR  HA          3.50    (#    129:25  Single Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 543, 588,
 &end
#
#   44 ARG  HB+          41 ASP  HA          2.80    (#    133:25  Unique         2.71, 3.45 A)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 702, 703,
 &end
#
#    0 AMB  25-2:134     25 ASP  HA          2.80    (#    134:25  Single Ambig)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 407, 408, 407, 408,
 &end
#
#   74 ASP  HB+          74 ASP  HA          2.80    (#    135:25  Unique         2.38, 2.80 A)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1175, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1177,1178,
 &end
#
#   74 ASP  HB-          74 ASP  HA          2.80    (#    136:25  Unique         2.38, 2.80 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,1175, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1177,1178,
 &end
#
#   35 TYR  HB+          35 TYR  HA          2.80    (#    137:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 547, 548,
 &end
#
#   35 TYR  HB-          35 TYR  HA          3.50    (#    138:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 547, 548,
 &end
#
#   38 GLU  HB+          35 TYR  HA          2.80    (#    139:25  Unique         2.58, 3.57 A)
 &rst
  ixpk= 139, nxpk= 25, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 606, 607,
 &end
#
#   75 ALA  HN           74 ASP  HA          3.50    (#    140:25  Unique         3.50, 3.53 A)
 &rst
  ixpk= 140, nxpk= 25, iat=1185,1175, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 MET  ME           95 ALA  HA          2.80    (#    141:25  Unique         2.39, 3.53 A)
 &rst
  ixpk= 141, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1060,1061,1062,
 &end
#
#   68 LEU  MDX          95 ALA  HA          3.50    (#    142:25  Unique         1.97, 3.89 A)
 &rst
  ixpk= 142, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   19 ILE  HN           18 ALA  HA          3.50    (#    143:25  Unique         3.53, 3.54 A)
 &rst
  ixpk= 143, nxpk= 25, iat= 298, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 VAL  MGX          60 ASP  HA          2.80    (#    144:25  Unique         2.88, 4.00 A)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1, 965, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#   81 ASP  HB+          81 ASP  HA          2.80    (#    145:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,1281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1283,1284,
 &end
#
#   21 CYS  HB-          18 ALA  HA          3.50    (#    146:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 345, 346,
 &end
#
#    0 AMB  25-2:147     59 ARG  HA          2.80    (#    147:25  Single Ambig)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 946, 947, 946, 947,
 &end
#
#   71 GLN  HB-          71 GLN  HA          2.80    (#    148:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1126,1127,
 &end
#
#   71 GLN  HG-          71 GLN  HA          2.80    (#    149:25  Unique         2.56, 2.86 A)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1129,1130,
 &end
#
#    0 AMB  25-2:150      0 AMB  25-1:150    2.80    (#    150:25  Double Ambig)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1129,1130, 120, 121,
 igr2=1124, 112,
 &end
#
#   68 LEU  MDX          71 GLN  HA          2.80    (#    151:25  Unique         2.00, 4.25 A)
 &rst
  ixpk= 151, nxpk= 25, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   36 ARG  HB+          33 ALA  HA          3.50    (#    152:25  Unique         2.06, 2.72 A)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 568, 569,
 &end
#
#   33 ALA  MB           33 ALA  HA          2.80    (#    153:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 522, 523, 524,
 &end
#
#   60 ASP  HN           59 ARG  HA          3.50    (#    154:25  Unique         3.25, 3.29 A)
 &rst
  ixpk= 154, nxpk= 25, iat= 963, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 LEU  HB-          31 LEU  HA          2.80    (#    155:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 492, 493,
 &end
#
#   49 GLU  HN           49 GLU  HA          3.50    (#    156:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 156, nxpk= 25, iat= 786, 788, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 LEU  HN           31 LEU  HA          3.50    (#    157:25  Unique         2.75, 2.79 A)
 &rst
  ixpk= 157, nxpk= 25, iat= 488, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 ALA  HN           49 GLU  HA          3.50    (#    158:25  Unique         3.01, 3.08 A)
 &rst
  ixpk= 158, nxpk= 25, iat= 801, 788, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 ARG  HN           60 ASP  HA          4.50    (#    159:25  Unique         4.58, 4.60 A)
 &rst
  ixpk= 159, nxpk= 25, iat= 939, 965, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:160    127 ARG  HA          2.80    (#    160:25  Single Ambig)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,1973, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 &end
#
#    0 AMB  25-2:161    127 ARG  HA          3.50    (#    161:25  Single Ambig)
 &rst
  ixpk= 161, nxpk= 25, iat=  -1,1973, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1978,1979,1978,1979,
 &end
#
#  127 ARG  HB+         127 ARG  HA          2.80    (#    162:25  Unique         2.27, 2.51 A)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,1973, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1975,1976,
 &end
#
#    0 AMB  25-2:163    137 TYR  HA          2.80    (#    163:25  Single Ambig)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1,2125, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2127,2128,2127,2128,
 &end
#
#    6 ARG  HB+           6 ARG  HA          2.80    (#    164:25  Unique         2.37, 2.45 A)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  90,  91,
 &end
#
#    6 ARG  HB-           6 ARG  HA          2.80    (#    165:25  Unique         2.37, 2.45 A)
 &rst
  ixpk= 165, nxpk= 25, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  90,  91,
 &end
#
#    0 AMB  25-2:166     49 GLU  HA          2.80    (#    166:25  Single Ambig)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 790, 791, 793, 794,
 &end
#
#   59 ARG  HN           59 ARG  HA          2.80    (#    167:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 167, nxpk= 25, iat= 939, 941, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 LEU  HN           52 LEU  HA          3.50    (#    168:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 168, nxpk= 25, iat= 825, 827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ALA  HN          113 ALA  HA          2.80    (#    169:25  Unique         2.75, 2.76 A)
 &rst
  ixpk= 169, nxpk= 25, iat=1751,1753, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 HIS  HB+          72 HIS  HA          3.50    (#    170:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1143,1144,
 &end
#
#  140 LEU  HA          127 ARG  HA          3.50    (#    171:25  Unique         2.11, 2.21 A)
 &rst
  ixpk= 171, nxpk= 25, iat=2179,1973, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 HIS  HB-          72 HIS  HA          3.50    (#    172:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1143,1144,
 &end
#
#   52 LEU  HB-          52 LEU  HA          3.50    (#    174:25  Unique         2.33, 2.44 A)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1, 827, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 829, 830,
 &end
#
#   52 LEU  HB+          52 LEU  HA          3.50    (#    175:25  Unique         2.33, 2.44 A)
 &rst
  ixpk= 175, nxpk= 25, iat=  -1, 827, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 829, 830,
 &end
#
#  116 PHE  HN          113 ALA  HA          3.50    (#    176:25  Unique         3.11, 3.19 A)
 &rst
  ixpk= 176, nxpk= 25, iat=1784,1753, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 SER  HN           31 LEU  HA          2.80    (#    177:25  Unique         2.14, 2.25 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 507, 490, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 LEU  HN          101 GLU  HA          2.80    (#    178:25  Unique         2.86, 2.89 A)
 &rst
  ixpk= 178, nxpk= 25, iat=1582,1569, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  113 ALA  MB          113 ALA  HA          2.80    (#    179:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1755,1756,1757,
 &end
#
#    0 AMB  25-2:180      9 ARG  HA          2.80    (#    180:25  Single Ambig)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 149, 150, 152, 153, 152, 153,
 &end
#
#   76 LEU  MDY          66 MET  HA          4.50    (#    181:25  Unique         3.02, 4.63 A)
 &rst
  ixpk= 181, nxpk= 25, iat=  -1,1051, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,1208,1209,1210,
 &end
#
#   49 GLU  HG-          49 GLU  HA          2.80    (#    183:25  Unique         2.64, 3.13 A)
 &rst
  ixpk= 183, nxpk= 25, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 793, 794,
 &end
#
#   49 GLU  HB-          49 GLU  HA          2.80    (#    184:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1, 788, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 790, 791,
 &end
#
#    0 AMB  25-2:185     67 LEU  HA          2.80    (#    185:25  Single Ambig)
 &rst
  ixpk= 185, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#   68 LEU  MDX          68 LEU  HA          2.80    (#    186:25  Unique         2.43, 4.11 A)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:187     68 LEU  HA          2.80    (#    187:25  Single Ambig)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1089,1090,1092,
 &end
#
#  133 LEU  MDX         133 LEU  HA          3.50    (#    188:25  Unique         2.61, 4.14 A)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1,2063, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2070,2071,2072,2074,2075,2076,
 &end
#
#  133 LEU  MDY         133 LEU  HA          2.80    (#    189:25  Unique         2.61, 4.14 A)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1,2063, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2070,2071,2072,2074,2075,2076,
 &end
#
#   26 ALA  HN           26 ALA  HA          2.80    (#    190:25  Unique         2.77, 2.83 A)
 &rst
  ixpk= 190, nxpk= 25, iat= 415, 417, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 LEU  HN           67 LEU  HA          2.80    (#    191:25  Unique         2.17, 2.19 A)
 &rst
  ixpk= 191, nxpk= 25, iat=1085,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  138 PRO  HD-         137 TYR  HA          2.80    (#    192:25  Unique         2.22, 2.71 A)
 &rst
  ixpk= 192, nxpk= 25, iat=  -1,2125, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2145,2146,
 &end
#
#   80 PRO  HD+          79 ASP  HA          2.80    (#    193:25  Unique         1.98, 2.27 A)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1266,1267,
 &end
#
#   80 PRO  HD-          79 ASP  HA          2.80    (#    194:25  Unique         1.98, 2.27 A)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1266,1267,
 &end
#
#  147 ALA  HN          147 ALA  HA          2.80    (#    195:25  Unique         2.28, 2.70 A)
 &rst
  ixpk= 195, nxpk= 25, iat=2283,2285, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 VAL  HA          142 LEU  HA          2.80    (#    196:25  Unique         2.16, 2.33 A)
 &rst
  ixpk= 196, nxpk= 25, iat=1936,2212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  142 LEU  HB-         142 LEU  HA          3.50    (#    197:25  Unique         2.23, 2.58 A)
 &rst
  ixpk= 197, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2214,2215,
 &end
#
#   26 ALA  MB           26 ALA  HA          2.80    (#    198:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1, 417, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 419, 420, 421,
 &end
#
#    0 AMB  25-2:199     79 ASP  HA          4.50    (#    199:25  Single Ambig)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1269,1270,1269,1270,
 &end
#
#    0 AMB  25-2:200    139 LEU  HA          2.80    (#    200:25  Single Ambig)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1,2160, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  25-2:201    140 LEU  HA          2.80    (#    201:25  Single Ambig)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,2179, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 &end
#
#  105 ASN  HA          141 ASN  HA          2.80    (#    202:25  Unique         2.23, 2.31 A)
 &rst
  ixpk= 202, nxpk= 25, iat=1631,2198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  141 ASN  HD2-        141 ASN  HA          3.50    (#    203:25  Unique         1.92, 2.62 A)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2205,2206,
 &end
#
#  141 ASN  HD2+        141 ASN  HA          2.80    (#    204:25  Unique         1.92, 2.62 A)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2205,2206,
 &end
#
#  141 ASN  HB+         141 ASN  HA          2.80    (#    205:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 205, nxpk= 25, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2200,2201,
 &end
#
#  141 ASN  HB-         141 ASN  HA          2.80    (#    206:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2200,2201,
 &end
#
#    0 AMB  25-2:207    139 LEU  HA          2.80    (#    207:25  Single Ambig)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,2160, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2162,2163,1677,1678,
 &end
#
#  139 LEU  HB-         139 LEU  HA          3.50    (#    208:25  Unique         2.67, 2.82 A)
 &rst
  ixpk= 208, nxpk= 25, iat=  -1,2160, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2162,2163,
 &end
#
#  142 LEU  MDX         142 LEU  HA          2.80    (#    209:25  Unique         2.37, 4.17 A)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  141 ASN  HA          105 ASN  HA          2.80    (#    211:25  Unique         2.23, 2.31 A)
 &rst
  ixpk= 211, nxpk= 25, iat=2198,1631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASN  HB-         105 ASN  HA          2.80    (#    213:25  Unique         2.31, 2.65 A)
 &rst
  ixpk= 213, nxpk= 25, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1633,1634,
 &end
#
#  105 ASN  HB+         105 ASN  HA          2.80    (#    214:25  Unique         2.31, 2.65 A)
 &rst
  ixpk= 214, nxpk= 25, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1633,1634,
 &end
#
#   61 GLN  HA           62 PRO  HD+         2.80    (#    215:25  Unique         2.08, 2.19 A)
 &rst
  ixpk= 215, nxpk= 25, iat= 977,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 993, 994,
 &end
#
#   61 GLN  HA           62 PRO  HD-         2.80    (#    216:25  Unique         2.08, 2.19 A)
 &rst
  ixpk= 216, nxpk= 25, iat= 977,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 993, 994,
 &end
#
#   79 ASP  HA           80 PRO  HD-         2.80    (#    217:25  Unique         1.98, 2.27 A)
 &rst
  ixpk= 217, nxpk= 25, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1266,1267,
 &end
#
#   79 ASP  HA           80 PRO  HD+         2.80    (#    218:25  Unique         1.98, 2.27 A)
 &rst
  ixpk= 218, nxpk= 25, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1266,1267,
 &end
#
#   57 ASN  HB-          57 ASN  HA          2.80    (#    219:25  Unique         2.29, 2.46 A)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 914, 915,
 &end
#
#   57 ASN  HB+          57 ASN  HA          2.80    (#    220:25  Unique         2.29, 2.46 A)
 &rst
  ixpk= 220, nxpk= 25, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 914, 915,
 &end
#
#   47 LEU  HB-          48 PRO  HD+         3.50    (#    221:25  Unique         1.98, 2.65 A)
 &rst
  ixpk= 221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 757, 758,
 igr2= 773, 774,
 &end
#
#   48 PRO  HG-          48 PRO  HD+         2.80    (#    222:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 776, 777,
 igr2= 773, 774,
 &end
#
#   48 PRO  HG+          48 PRO  HD+         2.80    (#    223:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 776, 777,
 igr2= 773, 774,
 &end
#
#   48 PRO  HG+          48 PRO  HD-         2.80    (#    224:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 776, 777,
 igr2= 773, 774,
 &end
#
#    0 AMB  25-2:225     48 PRO  HD-         3.50    (#    225:25  Single Ambig)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 779, 780, 257, 258, 790, 791,
 igr2= 773, 774,
 &end
#
#   48 PRO  HG-          48 PRO  HD-         2.80    (#    226:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 776, 777,
 igr2= 773, 774,
 &end
#
#    0 AMB  25-2:230    143 ALA  HA          2.80    (#    230:25  Single Ambig)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,2231, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2233,2234,2235,1607,1608,1609,
 &end
#
#    3 ILE  MD1          57 ASN  HA          3.50    (#    231:25  Unique         1.99, 2.85 A)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  50,  51,  52,
 &end
#
#    0 AMB  25-2:232      0 AMB  25-1:232    3.50    (#    232:25  Double Ambig)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1272,1273,2151,2152,
 igr2=1266,1267,2145,2146,
 &end
#
#  138 PRO  HB+         138 PRO  HD-         3.50    (#    233:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2151,2152,
 igr2=2145,2146,
 &end
#
#   50 ALA  HA           51 PRO  HD+         2.80    (#    234:25  Unique         2.03, 2.17 A)
 &rst
  ixpk= 234, nxpk= 25, iat= 803,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 812, 813,
 &end
#
#   50 ALA  HA           51 PRO  HD-         2.80    (#    235:25  Unique         2.03, 2.17 A)
 &rst
  ixpk= 235, nxpk= 25, iat= 803,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 812, 813,
 &end
#
#   99 ALA  HA          100 PRO  HD-         2.80    (#    237:25  Unique         1.92, 2.25 A)
 &rst
  ixpk= 237, nxpk= 25, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1554,1555,
 &end
#
#  135 LYS  HA          136 PRO  HD-         2.80    (#    238:25  Unique         2.25, 2.29 A)
 &rst
  ixpk= 238, nxpk= 25, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2110,2111,
 &end
#
#   99 ALA  HA          100 PRO  HD+         2.80    (#    239:25  Unique         1.92, 2.25 A)
 &rst
  ixpk= 239, nxpk= 25, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1554,1555,
 &end
#
#  135 LYS  HA          136 PRO  HD+         2.80    (#    241:25  Unique         2.25, 2.29 A)
 &rst
  ixpk= 241, nxpk= 25, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2110,2111,
 &end
#
#  136 PRO  HG-         136 PRO  HD-         3.50    (#    242:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 242, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2113,2114,
 igr2=2110,2111,
 &end
#
#  136 PRO  HB-         136 PRO  HD-         2.80    (#    243:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2116,2117,
 igr2=2110,2111,
 &end
#
#    0 AMB  25-2:244    100 PRO  HD-         2.80    (#    244:25  Single Ambig)
 &rst
  ixpk= 244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1557,1558,1557,1558,1560,1561,
 igr2=1554,1555,
 &end
#
#    0 AMB  25-2:245      0 AMB  25-1:245    2.80    (#    245:25  Double Ambig)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1557,1558,1557,1558,1560,1561,
 igr2=1554,1555,1554,1555,1554,1555,
 &end
#
#    0 AMB  25-2:246      0 AMB  25-1:246    2.80    (#    246:25  Double Ambig)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 815, 816, 815, 816, 818, 819,
 igr2= 812, 813, 812, 813, 812, 813,
 &end
#
#  136 PRO  HG-         136 PRO  HD+         3.50    (#    247:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 247, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2113,2114,
 igr2=2110,2111,
 &end
#
#  136 PRO  HB-         136 PRO  HD+         2.80    (#    248:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2116,2117,
 igr2=2110,2111,
 &end
#
#    0 AMB  25-2:250    100 PRO  HD-         3.50    (#    250:25  Single Ambig)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1563,1528,
 igr2=1554,1555,
 &end
#
#   99 ALA  MB          100 PRO  HD-         4.50    (#    251:25  Unique         3.75, 4.59 A)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1547,1548,1549,
 igr2=1554,1555,
 &end
#
#   99 ALA  MB          100 PRO  HD+         3.50    (#    252:25  Unique         3.75, 4.59 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1547,1548,1549,
 igr2=1554,1555,
 &end
#
#  100 PRO  HB+         100 PRO  HD+         3.50    (#    253:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1560,1561,
 igr2=1554,1555,
 &end
#
#    5 ILE  MD1          55 ALA  HA          2.80    (#    254:25  Unique         1.98, 2.63 A)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1, 886, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  80,  81,  82,
 &end
#
#    0 AMB  25-2:256     51 PRO  HD-         2.80    (#    256:25  Single Ambig)
 &rst
  ixpk= 256, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 815, 816, 815, 816,
 igr2= 812, 813,
 &end
#
#   55 ALA  MB           55 ALA  HA          2.80    (#    257:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1, 886, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 888, 889, 890,
 &end
#
#    0 AMB  25-2:258     13 GLY  HA-         2.80    (#    258:25  Single Ambig)
 &rst
  ixpk= 258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 218, 219,
 &end
#
#   78 ILE  MD1          88 GLY  HA+         3.50    (#    261:25  Unique         1.99, 3.31 A)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1247,1248,1249,
 igr2=1374,1375,
 &end
#
#   78 ILE  MD1          88 GLY  HA-         3.50    (#    262:25  Unique         1.99, 3.31 A)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1247,1248,1249,
 igr2=1374,1375,
 &end
#
#    0 AMB  25-2:263      0 AMB  25-1:263    2.80    (#    263:25  Double Ambig)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1204,1205,1206,1208,1209,1210,1240,1241,1242,
 igr2=1374,1375,1374,1375,
 &end
#
#    0 AMB  25-2:264     88 GLY  HA-         3.50    (#    264:25  Single Ambig)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1204,1205,1206,1208,1209,1210,1240,1241,1242,
 igr2=1374,1375,
 &end
#
#    0 AMB  25-2:269      0 AMB  25-1:269    3.50    (#    269:25  Double Ambig)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1829,1830,1829,1830,
 igr2=1779,1780,1779,1780,
 &end
#
#    0 AMB  25-2:270    115 GLY  HA-         3.50    (#    270:25  Single Ambig)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1829,1830,1829,1830,
 igr2=1779,1780,
 &end
#
#    0 AMB  25-2:275     86 GLY  HA-         3.50    (#    275:25  Single Ambig)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1383,1384,1383,1384,
 igr2=1351,1352,
 &end
#
#  139 LEU  HA          139 LEU  HB-         3.50    (#    276:25  Unique         2.67, 2.82 A)
 &rst
  ixpk= 276, nxpk= 25, iat=2160,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2162,2163,
 &end
#
#  139 LEU  HA          139 LEU  HB+         3.50    (#    277:25  Unique         2.67, 2.82 A)
 &rst
  ixpk= 277, nxpk= 25, iat=2160,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2162,2163,
 &end
#
#   74 ASP  HB-          67 LEU  HB-         4.50    (#    282:25  Unique         1.96, 3.70 A)
 &rst
  ixpk= 282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1177,1178,
 igr2=1070,1071,
 &end
#
#   74 ASP  HB-          67 LEU  HB+         4.50    (#    283:25  Unique         1.96, 3.70 A)
 &rst
  ixpk= 283, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1177,1178,
 igr2=1070,1071,
 &end
#
#  135 LYS  HN          134 GLY  HA+         3.50    (#    289:25  Unique         2.94, 3.26 A)
 &rst
  ixpk= 289, nxpk= 25, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2082,2083,
 &end
#
#  102 LEU  HN          102 LEU  HB+         2.80    (#    290:25  Unique         2.24, 2.90 A)
 &rst
  ixpk= 290, nxpk= 25, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1586,1587,
 &end
#
#  147 ALA  HN          146 GLY  HA+         2.80    (#    291:25  Unique         2.16, 3.02 A)
 &rst
  ixpk= 291, nxpk= 25, iat=2283,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2278,2279,
 &end
#
#  146 GLY  HN          146 GLY  HA-         2.80    (#    292:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 292, nxpk= 25, iat=2276,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2278,2279,
 &end
#
#    0 AMB  25-2:296      0 AMB  25-1:296    2.80    (#    296:25  Double Ambig)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1311,1312,1311,1312, 359, 360,
 igr2=1317,1318,1317,1318, 362, 363,
 &end
#
#    0 AMB  25-2:297      0 AMB  25-1:297    2.80    (#    297:25  Double Ambig)
 &rst
  ixpk= 297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 943, 944, 149, 150,
 igr2= 949, 950, 155, 156,
 &end
#
#    8 SER  HB-          52 LEU  HB-         5.50    (#    298:25  Unique         4.85, 5.98 A)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 138, 139,
 igr2= 829, 830,
 &end
#
#    8 SER  HB-          52 LEU  HB+         4.50    (#    299:25  Unique         4.85, 5.98 A)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 138, 139,
 igr2= 829, 830,
 &end
#
#    0 AMB  25-2:300      0 AMB  25-1:300    2.80    (#    300:25  Double Ambig)
 &rst
  ixpk= 300, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 igr2=1389,1390,1389,1390,1389,1390,
 &end
#
#    9 ARG  HB+           9 ARG  HD+         2.80    (#    301:25  Unique         2.23, 3.07 A)
 &rst
  ixpk= 301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 149, 150,
 igr2= 155, 156,
 &end
#
#   75 ALA  HN           74 ASP  HB+         3.50    (#    302:25  Unique         2.31, 3.11 A)
 &rst
  ixpk= 302, nxpk= 25, iat=1185,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1177,1178,
 &end
#
#   22 ARG  HE           22 ARG  HD-         3.50    (#    303:25  Unique         2.69, 2.79 A)
 &rst
  ixpk= 303, nxpk= 25, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 362, 363,
 &end
#
#   31 LEU  HN           31 LEU  HB+         3.50    (#    305:25  Unique         2.06, 2.80 A)
 &rst
  ixpk= 305, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   67 LEU  HG           74 ASP  HB-         3.50    (#    306:25  Unique         1.98, 3.02 A)
 &rst
  ixpk= 306, nxpk= 25, iat=1073,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1177,1178,
 &end
#
#    0 AMB  25-2:307      0 AMB  25-1:307    3.50    (#    307:25  Double Ambig)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1981,1982,1981,1982,
 &end
#
#    0 AMB  25-2:308      0 AMB  25-1:308    2.80    (#    308:25  Double Ambig)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=  93,  94,  93,  94,
 igr2=  96,  97,  96,  97,
 &end
#
#    0 AMB  25-2:309      0 AMB  25-1:309    3.50    (#    309:25  Double Ambig)
 &rst
  ixpk= 309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  90,  91,  90,  91,
 igr2=  96,  97,  96,  97,
 &end
#
#    0 AMB  25-2:312      0 AMB  25-1:312    2.80    (#    312:25  Double Ambig)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=2181,2182,2181,2182,
 &end
#
#    0 AMB  25-2:313      0 AMB  25-1:313    2.80    (#    313:25  Double Ambig)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.58, r4= 7.33,
 igr1= 943, 944,1314,1315,1314,1315,1314,1315, 359, 360,
      1386,1387,
 igr2= 949, 950,1317,1318,1317,1318,1317,1318, 362, 363,
      1389,1390,1389,1390,
 &end
#
#   67 LEU  HB+          74 ASP  HB-         3.50    (#    317:25  Unique         1.96, 3.70 A)
 &rst
  ixpk= 317, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1070,1071,
 igr2=1177,1178,
 &end
#
#   45 SER  HN           46 PHE  HB+         3.50    (#    318:25  Unique         3.66, 4.41 A)
 &rst
  ixpk= 318, nxpk= 25, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 737, 738,
 &end
#
#   46 PHE  HN           46 PHE  HB-         2.80    (#    319:25  Unique         2.56, 3.01 A)
 &rst
  ixpk= 319, nxpk= 25, iat= 733,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 737, 738,
 &end
#
#   46 PHE  HA           46 PHE  HB+         2.80    (#    320:25  Unique         2.79, 2.85 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 735,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-2:322      0 AMB  25-1:322    2.80    (#    322:25  Double Ambig)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1832,1833,1857,1858,1835,1836,
 igr2=1838,1839,1860,1861,1838,1839,
 &end
#
#    0 AMB  25-2:323      0 AMB  25-1:323    2.80    (#    323:25  Double Ambig)
 &rst
  ixpk= 323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1500,1501,1500,1501,
 &end
#
#   53 TRP  HE1          98 MET  ME          3.50    (#    325:25  Unique         3.15, 4.08 A)
 &rst
  ixpk= 325, nxpk= 25, iat= 854,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1537,1538,1539,
 &end
#
#   67 LEU  HN           67 LEU  HB+         4.50    (#    326:25  Unique         2.33, 2.68 A)
 &rst
  ixpk= 326, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1070,1071,
 &end
#
#   75 ALA  HN           67 LEU  HB+         4.50    (#    327:25  Unique         1.92, 2.94 A)
 &rst
  ixpk= 327, nxpk= 25, iat=1185,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1070,1071,
 &end
#
#   68 LEU  HN           68 LEU  HB+         2.80    (#    328:25  Unique         2.56, 3.02 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1085,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1089,1090,
 &end
#
#    0 AMB  25-2:329      0 AMB  25-1:329    3.50    (#    329:25  Double Ambig)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1185,1234,
 igr2=1177,1178,1218,1219,
 &end
#
#   96 LEU  HN           96 LEU  HB+         2.80    (#    330:25  Unique         2.17, 2.84 A)
 &rst
  ixpk= 330, nxpk= 25, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1500,1501,
 &end
#
#   43 VAL  HN           42 LEU  HB+         3.50    (#    331:25  Unique         3.76, 3.91 A)
 &rst
  ixpk= 331, nxpk= 25, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 667, 668,
 &end
#
#   42 LEU  HN           42 LEU  HB+         2.80    (#    332:25  Unique         2.22, 2.88 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 663,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#   42 LEU  HN           42 LEU  HB-         2.80    (#    333:25  Unique         2.22, 2.88 A)
 &rst
  ixpk= 333, nxpk= 25, iat= 663,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#   91 LEU  HN           91 LEU  HB+         3.50    (#    334:25  Unique         2.20, 2.85 A)
 &rst
  ixpk= 334, nxpk= 25, iat=1419,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1423,1424,
 &end
#
#   60 ASP  HN           60 ASP  HB-         3.50    (#    335:25  Unique         3.15, 3.80 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 963,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 967, 968,
 &end
#
#    0 AMB  25-2:336      0 AMB  25-1:336    3.50    (#    336:25  Double Ambig)
 &rst
  ixpk= 336, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=2061,2080,
 igr2=2065,2066,2065,2066,
 &end
#
#  141 ASN  HN          141 ASN  HB-         2.80    (#    337:25  Unique         2.32, 2.76 A)
 &rst
  ixpk= 337, nxpk= 25, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2200,2201,
 &end
#
#    3 ILE  HN            3 ILE  HB          2.80    (#    338:25  Unique         2.83, 2.83 A)
 &rst
  ixpk= 338, nxpk= 25, iat=  37,  41, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  107 ASN  HN          107 ASN  HB-         3.50    (#    339:25  Unique         2.09, 2.70 A)
 &rst
  ixpk= 339, nxpk= 25, iat=1659,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1663,1664,
 &end
#
#  144 TYR  HN          144 TYR  HB-         2.80    (#    340:25  Unique         2.30, 2.54 A)
 &rst
  ixpk= 340, nxpk= 25, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2243,2244,
 &end
#
#   19 ILE  HN           19 ILE  HB          2.80    (#    341:25  Unique         2.36, 2.38 A)
 &rst
  ixpk= 341, nxpk= 25, iat= 298, 302, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLU  HN           93 GLU  HG-         2.80    (#    342:25  Unique         2.74, 3.31 A)
 &rst
  ixpk= 342, nxpk= 25, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1461,1462,
 &end
#
#  110 ASN  HN          110 ASN  HB-         2.80    (#    343:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 343, nxpk= 25, iat=1705,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1709,1710,
 &end
#
#   15 GLU  HN           15 GLU  HG+         2.80    (#    344:25  Unique         2.02, 2.89 A)
 &rst
  ixpk= 344, nxpk= 25, iat= 238,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 245, 246,
 &end
#
#   15 GLU  HN           15 GLU  HG-         2.80    (#    345:25  Unique         2.02, 2.89 A)
 &rst
  ixpk= 345, nxpk= 25, iat= 238,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 245, 246,
 &end
#
#  101 GLU  HN          101 GLU  HG+         2.80    (#    346:25  Unique         2.64, 2.80 A)
 &rst
  ixpk= 346, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1574,1575,
 &end
#
#  129 GLU  HN          129 GLU  HG+         2.80    (#    347:25  Unique         2.32, 3.03 A)
 &rst
  ixpk= 347, nxpk= 25, iat=2006,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2013,2014,
 &end
#
#  111 GLU  HN          111 GLU  HG+         2.80    (#    348:25  Unique         2.13, 2.95 A)
 &rst
  ixpk= 348, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1726,1727,
 &end
#
#   14 GLU  HN           14 GLU  HG+         2.80    (#    349:25  Unique         2.10, 2.90 A)
 &rst
  ixpk= 349, nxpk= 25, iat= 223,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 230, 231,
 &end
#
#   14 GLU  HN           14 GLU  HG-         2.80    (#    350:25  Unique         2.10, 2.90 A)
 &rst
  ixpk= 350, nxpk= 25, iat= 223,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 230, 231,
 &end
#
#  111 GLU  HN          111 GLU  HG-         2.80    (#    351:25  Unique         2.13, 2.95 A)
 &rst
  ixpk= 351, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1726,1727,
 &end
#
#   49 GLU  HN           49 GLU  HG+         2.80    (#    352:25  Unique         2.87, 3.29 A)
 &rst
  ixpk= 352, nxpk= 25, iat= 786,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 793, 794,
 &end
#
#   49 GLU  HN           49 GLU  HG-         3.50    (#    353:25  Unique         2.87, 3.29 A)
 &rst
  ixpk= 353, nxpk= 25, iat= 786,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 793, 794,
 &end
#
#    0 AMB  25-2:354      0 AMB  25-1:354    3.50    (#    354:25  Double Ambig)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2133,2138,1700,1701,
 igr2=1695,1696,1695,1696,
 &end
#
#  129 GLU  HN          129 GLU  HG-         3.50    (#    355:25  Unique         2.32, 3.03 A)
 &rst
  ixpk= 355, nxpk= 25, iat=2006,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2013,2014,
 &end
#
#  109 GLN  HE2+        109 GLN  HG-         2.80    (#    356:25  Unique         2.15, 3.40 A)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1700,1701,
 igr2=1695,1696,
 &end
#
#  123 LYS  HN            0 AMB  25-1:357    2.80    (#    357:25  Single Ambig)
 &rst
  ixpk= 357, nxpk= 25, iat=1912,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1916,1917,1916,1917,
 &end
#
#  106 VAL  HN          106 VAL  HB          3.50    (#    358:25  Unique         2.93, 3.31 A)
 &rst
  ixpk= 358, nxpk= 25, iat=1643,1647, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 GLN  HN           56 VAL  HB          3.50    (#    359:25  Unique         2.83, 2.85 A)
 &rst
  ixpk= 359, nxpk= 25, iat= 975, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:360      0 AMB  25-1:360    3.50    (#    360:25  Double Ambig)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 963,2123,
 igr2= 898,2025,
 &end
#
#   57 ASN  HN           56 VAL  HB          2.80    (#    361:25  Unique         2.41, 2.51 A)
 &rst
  ixpk= 361, nxpk= 25, iat= 910, 898, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 ASP  HN          130 VAL  HB          2.80    (#    362:25  Unique         2.18, 2.30 A)
 &rst
  ixpk= 362, nxpk= 25, iat=2037,2025, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 GLN  HN           71 GLN  HG+         3.50    (#    363:25  Unique         2.48, 3.57 A)
 &rst
  ixpk= 363, nxpk= 25, iat=1122,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1129,1130,
 &end
#
#   71 GLN  HE2+         71 GLN  HG+         2.80    (#    364:25  Unique         2.14, 3.36 A)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1134,1135,
 igr2=1129,1130,
 &end
#
#  112 GLN  HN          112 GLN  HG-         4.50    (#    365:25  Unique         2.11, 3.55 A)
 &rst
  ixpk= 365, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1741,1742,
 &end
#
#   71 GLN  HN           71 GLN  HG-         4.50    (#    366:25  Unique         2.48, 3.57 A)
 &rst
  ixpk= 366, nxpk= 25, iat=1122,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1129,1130,
 &end
#
#   71 GLN  HE2+         71 GLN  HG-         4.50    (#    367:25  Unique         2.14, 3.36 A)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1134,1135,
 igr2=1129,1130,
 &end
#
#   55 ALA  HN           54 VAL  HB          3.50    (#    368:25  Unique         3.41, 3.45 A)
 &rst
  ixpk= 368, nxpk= 25, iat= 884, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 MET  HN           98 MET  HB+         3.50    (#    369:25  Unique         2.65, 3.15 A)
 &rst
  ixpk= 369, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1530,1531,
 &end
#
#   98 MET  HN           98 MET  HB-         3.50    (#    370:25  Unique         2.65, 3.15 A)
 &rst
  ixpk= 370, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1530,1531,
 &end
#
#  145 VAL  HN          145 VAL  HB          2.80    (#    371:25  Unique         2.50, 2.60 A)
 &rst
  ixpk= 371, nxpk= 25, iat=2260,2264, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:372      0 AMB  25-1:372    3.50    (#    372:25  Double Ambig)
 &rst
  ixpk= 372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 975, 987, 988, 987, 988,
 igr2= 982, 983, 982, 983, 982, 983,
 &end
#
#  139 LEU  HN          138 PRO  HB+         3.50    (#    373:25  Unique         1.95, 2.60 A)
 &rst
  ixpk= 373, nxpk= 25, iat=2158,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2151,2152,
 &end
#
#    9 ARG  HN            9 ARG  HB+         4.50    (#    374:25  Unique         2.29, 3.20 A)
 &rst
  ixpk= 374, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 149, 150,
 &end
#
#    9 ARG  HN            9 ARG  HB-         3.50    (#    375:25  Unique         2.29, 3.20 A)
 &rst
  ixpk= 375, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 149, 150,
 &end
#
#   63 VAL  HN           62 PRO  HB+         4.50    (#    376:25  Unique         3.99, 4.18 A)
 &rst
  ixpk= 376, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 999,1000,
 &end
#
#   63 VAL  HN           62 PRO  HB-         4.50    (#    377:25  Unique         3.99, 4.18 A)
 &rst
  ixpk= 377, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 999,1000,
 &end
#
#    7 ARG  HN            6 ARG  HB+         2.80    (#    378:25  Unique         1.92, 2.72 A)
 &rst
  ixpk= 378, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  90,  91,
 &end
#
#  124 VAL  HN          124 VAL  HB          2.80    (#    379:25  Unique         2.52, 2.57 A)
 &rst
  ixpk= 379, nxpk= 25, iat=1934,1938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 LYS  HN            0 AMB  25-1:380    2.80    (#    380:25  Single Ambig)
 &rst
  ixpk= 380, nxpk= 25, iat=1847,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1851,1852,1851,1852,
 &end
#
#  120 VAL  HN            0 AMB  25-1:381    2.80    (#    381:25  Single Ambig)
 &rst
  ixpk= 381, nxpk= 25, iat=1869,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1851,1852,1851,1852,
 &end
#
#  101 GLU  HN          100 PRO  HB-         3.50    (#    382:25  Unique         3.33, 3.75 A)
 &rst
  ixpk= 382, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1560,1561,
 &end
#
#  118 LYS  HN            0 AMB  25-1:383    2.80    (#    383:25  Single Ambig)
 &rst
  ixpk= 383, nxpk= 25, iat=1825,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1829,1830,1829,1830,
 &end
#
#    7 ARG  HN            6 ARG  HB-         2.80    (#    384:25  Unique         1.92, 2.72 A)
 &rst
  ixpk= 384, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  90,  91,
 &end
#
#  115 GLY  HN          114 VAL  HB          2.80    (#    385:25  Unique         2.67, 2.73 A)
 &rst
  ixpk= 385, nxpk= 25, iat=1777,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 VAL  HN          114 VAL  HB          2.80    (#    386:25  Unique         2.41, 2.54 A)
 &rst
  ixpk= 386, nxpk= 25, iat=1761,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 VAL  HN           17 VAL  HB          2.80    (#    387:25  Unique         2.51, 2.54 A)
 &rst
  ixpk= 387, nxpk= 25, iat= 272, 276, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   18 ALA  HN           17 VAL  HB          2.80    (#    388:25  Unique         2.64, 2.72 A)
 &rst
  ixpk= 388, nxpk= 25, iat= 288, 276, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:389      0 AMB  25-1:389    2.80    (#    389:25  Double Ambig)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1869, 216,
 igr2=1873, 779, 780,
 &end
#
#   98 MET  HN           98 MET  HG+         3.50    (#    390:25  Unique         1.98, 2.67 A)
 &rst
  ixpk= 390, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1533,1534,
 &end
#
#   93 GLU  HN           92 VAL  HB          2.80    (#    391:25  Unique         2.66, 2.73 A)
 &rst
  ixpk= 391, nxpk= 25, iat=1454,1442, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 VAL  HN           92 VAL  HB          2.80    (#    392:25  Unique         2.43, 2.50 A)
 &rst
  ixpk= 392, nxpk= 25, iat=1438,1442, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 VAL  HN           90 VAL  HB          2.80    (#    393:25  Unique         2.54, 2.57 A)
 &rst
  ixpk= 393, nxpk= 25, iat=1403,1407, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 MET  HN           98 MET  HG-         4.50    (#    394:25  Unique         1.98, 2.67 A)
 &rst
  ixpk= 394, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1533,1534,
 &end
#
#   87 VAL  HN           87 VAL  HB          3.50    (#    395:25  Unique         2.50, 2.63 A)
 &rst
  ixpk= 395, nxpk= 25, iat=1356,1360, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 GLY  HN           87 VAL  HB          2.80    (#    396:25  Unique         2.62, 2.78 A)
 &rst
  ixpk= 396, nxpk= 25, iat=1372,1360, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 GLU  HN          108 GLU  HB-         3.50    (#    397:25  Unique         2.07, 2.62 A)
 &rst
  ixpk= 397, nxpk= 25, iat=1673,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1677,1678,
 &end
#
#   49 GLU  HN           49 GLU  HB+         3.50    (#    398:25  Unique         2.76, 3.34 A)
 &rst
  ixpk= 398, nxpk= 25, iat= 786,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 790, 791,
 &end
#
#   49 GLU  HN           49 GLU  HB-         2.80    (#    399:25  Unique         2.76, 3.34 A)
 &rst
  ixpk= 399, nxpk= 25, iat= 786,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 790, 791,
 &end
#
#   38 GLU  HN           38 GLU  HB+         2.80    (#    400:25  Unique         2.20, 2.92 A)
 &rst
  ixpk= 400, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 606, 607,
 &end
#
#   38 GLU  HN           38 GLU  HB-         2.80    (#    401:25  Unique         2.20, 2.92 A)
 &rst
  ixpk= 401, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 606, 607,
 &end
#
#    7 ARG  HN            7 ARG  HB+         3.50    (#    402:25  Unique         2.52, 3.11 A)
 &rst
  ixpk= 402, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 114, 115,
 &end
#
#    7 ARG  HN            7 ARG  HB-         3.50    (#    403:25  Unique         2.52, 3.11 A)
 &rst
  ixpk= 403, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 114, 115,
 &end
#
#   12 GLU  HN           12 GLU  HB+         3.50    (#    404:25  Unique         2.15, 3.02 A)
 &rst
  ixpk= 404, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 205, 206,
 &end
#
#   39 LEU  HN           38 GLU  HB-         3.50    (#    405:25  Unique         2.40, 3.03 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 606, 607,
 &end
#
#  129 GLU  HN          129 GLU  HB+         3.50    (#    406:25  Unique         2.41, 3.08 A)
 &rst
  ixpk= 406, nxpk= 25, iat=2006,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2010,2011,
 &end
#
#  111 GLU  HN            0 AMB  25-1:407    2.80    (#    407:25  Single Ambig)
 &rst
  ixpk= 407, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1723,1724,1723,1724,
 &end
#
#  129 GLU  HN          129 GLU  HB-         3.50    (#    408:25  Unique         2.41, 3.08 A)
 &rst
  ixpk= 408, nxpk= 25, iat=2006,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2010,2011,
 &end
#
#   12 GLU  HN           12 GLU  HB-         3.50    (#    409:25  Unique         2.15, 3.02 A)
 &rst
  ixpk= 409, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 205, 206,
 &end
#
#   44 ARG  HN           44 ARG  HB+         3.50    (#    410:25  Unique         2.08, 2.72 A)
 &rst
  ixpk= 410, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 702, 703,
 &end
#
#    0 AMB  25-2:411      0 AMB  25-1:411    2.80    (#    411:25  Double Ambig)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 298, 975,
 igr2= 308, 309, 943, 944,
 &end
#
#   89 ARG  HN            0 AMB  25-1:412    2.80    (#    412:25  Single Ambig)
 &rst
  ixpk= 412, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1383,1384,1383,1384,
 &end
#
#   59 ARG  HN           59 ARG  HB-         3.50    (#    413:25  Unique         2.16, 3.06 A)
 &rst
  ixpk= 413, nxpk= 25, iat= 939,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 943, 944,
 &end
#
#   15 GLU  HN           15 GLU  HB+         2.80    (#    414:25  Unique         2.21, 3.00 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 238,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 242, 243,
 &end
#
#   16 LEU  HN           15 GLU  HB+         3.50    (#    415:25  Unique         2.83, 3.31 A)
 &rst
  ixpk= 415, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 242, 243,
 &end
#
#   34 GLU  HN           34 GLU  HB+         3.50    (#    416:25  Unique         2.06, 2.92 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 532, 533,
 &end
#
#   36 ARG  HN           36 ARG  HB-         3.50    (#    417:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 417, nxpk= 25, iat= 564,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 568, 569,
 &end
#
#   35 TYR  HN           34 GLU  HB-         2.80    (#    418:25  Unique         2.33, 3.10 A)
 &rst
  ixpk= 418, nxpk= 25, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 532, 533,
 &end
#
#   34 GLU  HN           34 GLU  HB-         3.50    (#    419:25  Unique         2.06, 2.92 A)
 &rst
  ixpk= 419, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 532, 533,
 &end
#
#   15 GLU  HN            0 AMB  25-1:420    2.80    (#    420:25  Single Ambig)
 &rst
  ixpk= 420, nxpk= 25, iat= 238,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 242, 243, 227, 228, 227, 228,
 &end
#
#    0 AMB  25-2:421      0 AMB  25-1:421    3.50    (#    421:25  Double Ambig)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 919, 920, 919, 920,
 igr2= 979, 980, 979, 980,
 &end
#
#    0 AMB  25-2:422      0 AMB  25-1:422    2.80    (#    422:25  Double Ambig)
 &rst
  ixpk= 422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 987, 988, 987, 988, 975,
 igr2= 979, 980, 979, 980, 979, 980,
 &end
#
#   57 ASN  HD2-          0 AMB  25-1:423    2.80    (#    423:25  Single Ambig)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 919, 920,
 igr2= 979, 980, 979, 980,
 &end
#
#   36 ARG  HN           36 ARG  HB+         3.50    (#    424:25  Unique         2.32, 2.61 A)
 &rst
  ixpk= 424, nxpk= 25, iat= 564,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 568, 569,
 &end
#
#   40 GLU  HN            0 AMB  25-1:425    3.50    (#    425:25  Single Ambig)
 &rst
  ixpk= 425, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 640, 641, 640, 641,
 &end
#
#  112 GLN  HN            0 AMB  25-1:426    3.50    (#    426:25  Single Ambig)
 &rst
  ixpk= 426, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1738,1739,1738,1739,
 &end
#
#   14 GLU  HN            0 AMB  25-1:427    2.80    (#    427:25  Single Ambig)
 &rst
  ixpk= 427, nxpk= 25, iat= 223,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 227, 228, 227, 228,
 &end
#
#   93 GLU  HN           93 GLU  HB-         2.80    (#    428:25  Unique         2.19, 2.87 A)
 &rst
  ixpk= 428, nxpk= 25, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1458,1459,
 &end
#
#    0 AMB  25-2:429     71 GLN  HB-         3.50    (#    429:25  Single Ambig)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1122,1601,
 igr2=1126,1127,
 &end
#
#  113 ALA  HN            0 AMB  25-1:430    2.80    (#    430:25  Single Ambig)
 &rst
  ixpk= 430, nxpk= 25, iat=1751,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1738,1739,1738,1739,
 &end
#
#  101 GLU  HN          101 GLU  HB+         3.50    (#    431:25  Unique         2.69, 3.25 A)
 &rst
  ixpk= 431, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1571,1572,
 &end
#
#  101 GLU  HN          101 GLU  HB-         2.80    (#    432:25  Unique         2.69, 3.25 A)
 &rst
  ixpk= 432, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1571,1572,
 &end
#
#    9 ARG  HN            0 AMB  25-1:433    2.80    (#    433:25  Single Ambig)
 &rst
  ixpk= 433, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 152, 153, 152, 153,
 &end
#
#  133 LEU  HN          133 LEU  HG          3.50    (#    434:25  Unique         2.09, 2.20 A)
 &rst
  ixpk= 434, nxpk= 25, iat=2061,2068, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 ARG  HN            0 AMB  25-1:435    2.80    (#    435:25  Single Ambig)
 &rst
  ixpk= 435, nxpk= 25, iat= 939,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 946, 947, 946, 947,
 &end
#
#   91 LEU  HN           91 LEU  HG          3.50    (#    436:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 436, nxpk= 25, iat=1419,1426, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLU  HN            0 AMB  25-1:437    3.50    (#    437:25  Single Ambig)
 &rst
  ixpk= 437, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1557,1558,1557,1558,
 &end
#
#   42 LEU  HN           42 LEU  HG          2.80    (#    438:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 438, nxpk= 25, iat= 663, 670, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 LEU  HN           47 LEU  HG          4.50    (#    439:25  Unique         2.86, 2.88 A)
 &rst
  ixpk= 439, nxpk= 25, iat= 753, 760, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 LEU  HN           16 LEU  HG          3.50    (#    440:25  Unique         1.93, 1.96 A)
 &rst
  ixpk= 440, nxpk= 25, iat= 253, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 LEU  HN           75 ALA  MB          4.50    (#    443:25  Unique         4.41, 5.28 A)
 &rst
  ixpk= 443, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1189,1190,1191,
 &end
#
#    0 AMB  25-2:444     75 ALA  MB          2.80    (#    444:25  Single Ambig)
 &rst
  ixpk= 444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1185,1195,
 igr2=1189,1190,1191,
 &end
#
#   77 PHE  HE           75 ALA  MB          2.80    (#    445:25  Unique         2.03, 5.56 A)
 &rst
  ixpk= 445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1224,1228,
 igr2=1189,1190,1191,
 &end
#
#   77 PHE  HD           75 ALA  MB          2.80    (#    446:25  Unique         2.43, 5.67 A)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1230,
 igr2=1189,1190,1191,
 &end
#
#   65 PHE  HE           75 ALA  MB          3.50    (#    447:25  Unique         2.20, 4.70 A)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1039,1043,
 igr2=1189,1190,1191,
 &end
#
#   27 THR  HN           26 ALA  MB          3.50    (#    448:25  Unique         2.05, 3.23 A)
 &rst
  ixpk= 448, nxpk= 25, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 419, 420, 421,
 &end
#
#   26 ALA  HN           26 ALA  MB          2.80    (#    449:25  Unique         2.07, 2.94 A)
 &rst
  ixpk= 449, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 419, 420, 421,
 &end
#
#   96 LEU  HN           95 ALA  MB          2.80    (#    450:25  Unique         2.50, 3.31 A)
 &rst
  ixpk= 450, nxpk= 25, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1490,1491,1492,
 &end
#
#   95 ALA  HN           95 ALA  MB          2.80    (#    451:25  Unique         2.20, 2.90 A)
 &rst
  ixpk= 451, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1490,1491,1492,
 &end
#
#    0 AMB  25-2:452     33 ALA  MB          2.80    (#    452:25  Single Ambig)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 518, 528,
 igr2= 522, 523, 524,
 &end
#
#   18 ALA  HN           18 ALA  MB          2.80    (#    453:25  Unique         2.09, 2.87 A)
 &rst
  ixpk= 453, nxpk= 25, iat= 288,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 292, 293, 294,
 &end
#
#   19 ILE  HN           18 ALA  MB          2.80    (#    454:25  Unique         2.94, 3.43 A)
 &rst
  ixpk= 454, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 292, 293, 294,
 &end
#
#   95 ALA  HN           66 MET  ME          2.80    (#    455:25  Unique         3.02, 3.67 A)
 &rst
  ixpk= 455, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1060,1061,1062,
 &end
#
#   53 TRP  HD1          66 MET  ME          4.50    (#    457:25  Unique         2.86, 3.81 A)
 &rst
  ixpk= 457, nxpk= 25, iat= 852,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1060,1061,1062,
 &end
#
#   53 TRP  HE3          66 MET  ME          4.50    (#    458:25  Unique         4.81, 5.83 A)
 &rst
  ixpk= 458, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1060,1061,1062,
 &end
#
#  122 PHE  HE           73 MET  ME          3.50    (#    460:25  Unique         3.25, 4.77 A)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1902,1906,
 igr2=1167,1168,1169,
 &end
#
#   75 ALA  HN           67 LEU  HB-         5.50    (#    461:25  Unique         1.92, 2.94 A)
 &rst
  ixpk= 461, nxpk= 25, iat=1185,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1070,1071,
 &end
#
#   96 LEU  HN           96 LEU  HB-         2.80    (#    462:25  Unique         2.17, 2.84 A)
 &rst
  ixpk= 462, nxpk= 25, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1500,1501,
 &end
#
#   47 LEU  HN           47 LEU  HB+         3.50    (#    463:25  Unique         2.19, 2.85 A)
 &rst
  ixpk= 463, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 757, 758,
 &end
#
#   47 LEU  HN           47 LEU  HB-         3.50    (#    464:25  Unique         2.19, 2.85 A)
 &rst
  ixpk= 464, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 757, 758,
 &end
#
#    5 ILE  HN            5 ILE  HB          2.80    (#    465:25  Unique         2.79, 2.80 A)
 &rst
  ixpk= 465, nxpk= 25, iat=  67,  71, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 ARG  HN           43 VAL  HB          3.50    (#    466:25  Unique         2.60, 2.63 A)
 &rst
  ixpk= 466, nxpk= 25, iat= 698, 686, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 VAL  HN           43 VAL  HB          2.80    (#    467:25  Unique         2.48, 2.51 A)
 &rst
  ixpk= 467, nxpk= 25, iat= 682, 686, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 PHE  HE          102 LEU  MDY         3.50    (#    469:25  Unique         2.32, 5.08 A)
 &rst
  ixpk= 469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1902,1906,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    3 ILE  HN            3 ILE  HG1-        4.50    (#    471:25  Unique         2.79, 3.49 A)
 &rst
  ixpk= 471, nxpk= 25, iat=  37,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  47,  48,
 &end
#
#    3 ILE  HN            3 ILE  HG1+        4.50    (#    472:25  Unique         2.79, 3.49 A)
 &rst
  ixpk= 472, nxpk= 25, iat=  37,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  47,  48,
 &end
#
#    7 ARG  HN            7 ARG  HG+         3.50    (#    473:25  Unique         2.61, 2.99 A)
 &rst
  ixpk= 473, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 117, 118,
 &end
#
#   39 LEU  HN           39 LEU  HG          3.50    (#    474:25  Unique         2.20, 2.79 A)
 &rst
  ixpk= 474, nxpk= 25, iat= 617, 624, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 ARG  HN            7 ARG  HG-         3.50    (#    475:25  Unique         2.61, 2.99 A)
 &rst
  ixpk= 475, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 117, 118,
 &end
#
#   52 LEU  HN           52 LEU  MDY         3.50    (#    477:25  Unique         2.61, 3.97 A)
 &rst
  ixpk= 477, nxpk= 25, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   96 LEU  HN           96 LEU  HG          3.50    (#    478:25  Unique         2.87, 2.89 A)
 &rst
  ixpk= 478, nxpk= 25, iat=1496,1503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 VAL  HN          139 LEU  HG          3.50    (#    479:25  Unique         2.54, 2.80 A)
 &rst
  ixpk= 479, nxpk= 25, iat=1643,2165, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 PHE  HN           76 LEU  MDY         3.50    (#    480:25  Unique         2.78, 5.38 A)
 &rst
  ixpk= 480, nxpk= 25, iat=1214,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   16 LEU  HN           16 LEU  MDY         3.50    (#    481:25  Unique         2.47, 3.87 A)
 &rst
  ixpk= 481, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#    0 AMB  25-2:482      0 AMB  25-1:482    3.50    (#    482:25  Double Ambig)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1173,1984,
 igr2=1094,1095,1096,1098,1099,1100,2186,2187,2188,2190,
      2191,2192,
 &end
#
#   91 LEU  HN           91 LEU  MDY         4.50    (#    484:25  Unique         4.18, 4.67 A)
 &rst
  ixpk= 484, nxpk= 25, iat=1419,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#  133 LEU  HN          133 LEU  MDX         4.50    (#    486:25  Unique         2.64, 4.20 A)
 &rst
  ixpk= 486, nxpk= 25, iat=2061,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#    0 AMB  25-2:487    142 LEU  MDX         4.50    (#    487:25  Single Ambig)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2229,1912,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:488    142 LEU  MDX         4.50    (#    488:25  Single Ambig)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1643,1934,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   39 LEU  HN           39 LEU  MDY         4.50    (#    489:25  Unique         2.01, 4.44 A)
 &rst
  ixpk= 489, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   20 TRP  HZ2          39 LEU  MDY         3.50    (#    490:25  Unique         2.00, 3.91 A)
 &rst
  ixpk= 490, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   73 MET  HN          102 LEU  MDX         4.50    (#    491:25  Unique         2.39, 4.82 A)
 &rst
  ixpk= 491, nxpk= 25, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  103 THR  HN          102 LEU  MDX         2.80    (#    492:25  Unique         1.98, 4.08 A)
 &rst
  ixpk= 492, nxpk= 25, iat=1601,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#   96 LEU  HN           96 LEU  MDX         4.50    (#    493:25  Unique         4.03, 4.70 A)
 &rst
  ixpk= 493, nxpk= 25, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   42 LEU  HN           42 LEU  MDX         4.50    (#    494:25  Unique         3.35, 4.56 A)
 &rst
  ixpk= 494, nxpk= 25, iat= 663,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#   53 TRP  HN           52 LEU  MDX         3.50    (#    495:25  Unique         2.81, 4.52 A)
 &rst
  ixpk= 495, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   52 LEU  HN           52 LEU  MDX         4.50    (#    496:25  Unique         2.61, 3.97 A)
 &rst
  ixpk= 496, nxpk= 25, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   98 MET  HN           68 LEU  MDX         4.50    (#    497:25  Unique         4.06, 5.86 A)
 &rst
  ixpk= 497, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   93 GLU  HN           92 VAL  MGX         4.50    (#    500:25  Unique         3.56, 4.58 A)
 &rst
  ixpk= 500, nxpk= 25, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#  116 PHE  HE           92 VAL  MGX         3.50    (#    501:25  Unique         3.57, 7.43 A)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1794,1798,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#   69 SER  HN           68 LEU  MDX         3.50    (#    502:25  Unique         3.12, 4.75 A)
 &rst
  ixpk= 502, nxpk= 25, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   92 VAL  HN           92 VAL  MGX         2.80    (#    503:25  Unique         2.09, 3.79 A)
 &rst
  ixpk= 503, nxpk= 25, iat=1438,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#  122 PHE  HE           92 VAL  MGX         3.50    (#    504:25  Unique         2.51, 5.60 A)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1902,1906,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#  114 VAL  HN          114 VAL  MGX         2.80    (#    505:25  Unique         2.02, 3.76 A)
 &rst
  ixpk= 505, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  115 GLY  HN          114 VAL  MGX         3.50    (#    506:25  Unique         3.51, 4.59 A)
 &rst
  ixpk= 506, nxpk= 25, iat=1777,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  113 ALA  HN          114 VAL  MGX         4.50    (#    507:25  Unique         4.26, 6.27 A)
 &rst
  ixpk= 507, nxpk= 25, iat=1751,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#   20 TRP  HD1          47 LEU  MDX         4.50    (#    508:25  Unique         4.02, 5.88 A)
 &rst
  ixpk= 508, nxpk= 25, iat= 325,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   77 PHE  HD           47 LEU  MDX         4.50    (#    510:25  Unique         5.15, 7.44 A)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1222,1230,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  25-2:511      0 AMB  25-1:511    3.50    (#    511:25  Double Ambig)
 &rst
  ixpk= 511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 682,2158,
 igr2= 672, 673, 674, 676, 677, 678,2167,2168,2169,2171,
      2172,2173,2167,2168,2169,2171,2172,2173,
 &end
#
#  140 LEU  HN            0 AMB  25-1:512    4.50    (#    512:25  Single Ambig)
 &rst
  ixpk= 512, nxpk= 25, iat=2177,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  25-2:513      0 AMB  25-1:513    3.50    (#    513:25  Double Ambig)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1668,1669,1668,1669,1673,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  25-2:514     67 LEU  MDX         2.80    (#    514:25  Single Ambig)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1085,1104,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#    0 AMB  25-2:515      0 AMB  25-1:515    2.80    (#    515:25  Double Ambig)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 272,2061,
 igr2= 278, 279, 280, 282, 283, 284,2070,2071,2072,2074,
      2075,2076,
 &end
#
#   18 ALA  HN           17 VAL  MGX         3.50    (#    516:25  Unique         3.55, 4.56 A)
 &rst
  ixpk= 516, nxpk= 25, iat= 288,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   16 LEU  HN           17 VAL  MGX         4.50    (#    517:25  Unique         4.17, 6.10 A)
 &rst
  ixpk= 517, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   96 LEU  HN           96 LEU  MDY         4.50    (#    518:25  Unique         4.03, 4.70 A)
 &rst
  ixpk= 518, nxpk= 25, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#  143 ALA  HN          143 ALA  MB          2.80    (#    519:25  Unique         2.69, 3.16 A)
 &rst
  ixpk= 519, nxpk= 25, iat=2229,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2233,2234,2235,
 &end
#
#  144 TYR  HN          143 ALA  MB          2.80    (#    520:25  Unique         2.85, 3.59 A)
 &rst
  ixpk= 520, nxpk= 25, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2233,2234,2235,
 &end
#
#   55 ALA  HN           54 VAL  MGY         3.50    (#    521:25  Unique         3.27, 4.74 A)
 &rst
  ixpk= 521, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:522     54 VAL  MGY         4.50    (#    522:25  Single Ambig)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 134,1022,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   87 VAL  HN           87 VAL  MGX         2.80    (#    523:25  Unique         1.93, 3.72 A)
 &rst
  ixpk= 523, nxpk= 25, iat=1356,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   39 LEU  HN           39 LEU  MDX         3.50    (#    524:25  Unique         2.01, 4.44 A)
 &rst
  ixpk= 524, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   20 TRP  HZ2          39 LEU  MDX         4.50    (#    525:25  Unique         2.00, 3.91 A)
 &rst
  ixpk= 525, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   16 LEU  HN           16 LEU  MDX         3.50    (#    526:25  Unique         2.47, 3.87 A)
 &rst
  ixpk= 526, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   65 PHE  HD           16 LEU  MDX         4.50    (#    527:25  Unique         3.97, 6.01 A)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1037,1045,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#  107 ASN  HN          106 VAL  MGY         2.80    (#    528:25  Unique         2.00, 3.94 A)
 &rst
  ixpk= 528, nxpk= 25, iat=1659,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#   90 VAL  HN           90 VAL  MGX         2.80    (#    529:25  Unique         1.94, 3.73 A)
 &rst
  ixpk= 529, nxpk= 25, iat=1403,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#   91 LEU  HN           91 LEU  MDX         4.50    (#    530:25  Unique         4.18, 4.67 A)
 &rst
  ixpk= 530, nxpk= 25, iat=1419,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   55 ALA  HN           91 LEU  MDX         4.50    (#    531:25  Unique         3.33, 4.11 A)
 &rst
  ixpk= 531, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#  143 ALA  HN          125 THR  MG2         2.80    (#    532:25  Unique         2.88, 3.86 A)
 &rst
  ixpk= 532, nxpk= 25, iat=2229,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1956,1957,1958,
 &end
#
#  124 VAL  HN          124 VAL  MGX         2.80    (#    533:25  Unique         2.33, 3.76 A)
 &rst
  ixpk= 533, nxpk= 25, iat=1934,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  141 ASN  HN          124 VAL  MGX         3.50    (#    534:25  Unique         2.96, 5.13 A)
 &rst
  ixpk= 534, nxpk= 25, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  126 GLY  HN            0 AMB  25-1:535    2.80    (#    535:25  Single Ambig)
 &rst
  ixpk= 535, nxpk= 25, iat=1964,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr2=1940,1941,1942,1944,1945,1946,1956,1957,1958,
 &end
#
#  140 LEU  HN          106 VAL  MGX         4.50    (#    536:25  Unique         3.49, 5.36 A)
 &rst
  ixpk= 536, nxpk= 25, iat=2177,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  106 VAL  HN          106 VAL  MGX         2.80    (#    537:25  Unique         2.21, 4.14 A)
 &rst
  ixpk= 537, nxpk= 25, iat=1643,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#   88 GLY  HN           87 VAL  MGY         4.50    (#    538:25  Unique         3.79, 4.63 A)
 &rst
  ixpk= 538, nxpk= 25, iat=1372,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#  103 THR  HN          103 THR  MG2         3.50    (#    539:25  Unique         3.53, 4.18 A)
 &rst
  ixpk= 539, nxpk= 25, iat=1601,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1607,1608,1609,
 &end
#
#  124 VAL  HN          124 VAL  MGY         2.80    (#    540:25  Unique         2.33, 3.76 A)
 &rst
  ixpk= 540, nxpk= 25, iat=1934,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   32 SER  HN           31 LEU  MDX         4.50    (#    541:25  Unique         1.95, 5.25 A)
 &rst
  ixpk= 541, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   35 TYR  HD           31 LEU  MDX         2.80    (#    543:25  Unique         1.99, 6.07 A)
 &rst
  ixpk= 543, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 551, 560,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  109 GLN  HE2-         31 LEU  MDX         2.80    (#    544:25  Unique         1.96, 4.98 A)
 &rst
  ixpk= 544, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1700,1701,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  144 TYR  HN          103 THR  MG2         3.50    (#    546:25  Unique         3.34, 4.31 A)
 &rst
  ixpk= 546, nxpk= 25, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1607,1608,1609,
 &end
#
#  104 THR  HN          103 THR  MG2         4.50    (#    547:25  Unique         3.96, 4.46 A)
 &rst
  ixpk= 547, nxpk= 25, iat=1615,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1607,1608,1609,
 &end
#
#   37 THR  HN           37 THR  MG2         4.50    (#    548:25  Unique         3.91, 4.40 A)
 &rst
  ixpk= 548, nxpk= 25, iat= 588,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 594, 595, 596,
 &end
#
#  128 SER  HN          140 LEU  MDY         4.50    (#    549:25  Unique         2.37, 4.91 A)
 &rst
  ixpk= 549, nxpk= 25, iat=1995,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2186,2187,2188,2190,2191,2192,
 &end
#
#    0 AMB  25-2:550    140 LEU  MDY         3.50    (#    550:25  Single Ambig)
 &rst
  ixpk= 550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2158,2196,
 igr2=2186,2187,2188,2190,2191,2192,
 &end
#
#    6 ARG  HN           54 VAL  MGX         4.50    (#    551:25  Unique         2.92, 5.14 A)
 &rst
  ixpk= 551, nxpk= 25, iat=  86,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   55 ALA  HN           54 VAL  MGX         4.50    (#    552:25  Unique         3.27, 4.74 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    8 SER  HN           54 VAL  MGX         3.50    (#    553:25  Unique         3.00, 4.74 A)
 &rst
  ixpk= 553, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   27 THR  HN           27 THR  MG2         3.50    (#    555:25  Unique         2.02, 3.24 A)
 &rst
  ixpk= 555, nxpk= 25, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 431, 432, 433,
 &end
#
#   63 VAL  HN           63 VAL  MGY         3.50    (#    556:25  Unique         1.93, 3.22 A)
 &rst
  ixpk= 556, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:557     63 VAL  MGY         3.50    (#    557:25  Single Ambig)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022, 919, 920,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:558      0 AMB  25-1:558    3.50    (#    558:25  Double Ambig)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1454,  56,
 igr2=1444,1445,1446,1448,1449,1450,1409,1410,1411,1413,
      1414,1415,
 &end
#
#   92 VAL  HN           92 VAL  MGY         3.50    (#    560:25  Unique         2.09, 3.79 A)
 &rst
  ixpk= 560, nxpk= 25, iat=1438,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#  122 PHE  HE           92 VAL  MGY         2.80    (#    562:25  Unique         2.51, 5.60 A)
 &rst
  ixpk= 562, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1902,1906,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:563      0 AMB  25-1:563    2.80    (#    563:25  Double Ambig)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1777, 288,
 igr2=1767,1768,1769,1771,1772,1773, 278, 279, 280, 282,
       283, 284,
 &end
#
#  120 VAL  HN          120 VAL  MGY         2.80    (#    564:25  Unique         1.95, 3.66 A)
 &rst
  ixpk= 564, nxpk= 25, iat=1869,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  122 PHE  HE          120 VAL  MGY         3.50    (#    565:25  Unique         2.80, 6.06 A)
 &rst
  ixpk= 565, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1902,1906,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  116 PHE  HE          120 VAL  MGY         3.50    (#    566:25  Unique         3.27, 6.48 A)
 &rst
  ixpk= 566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1794,1798,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  131 ASP  HN          130 VAL  MGY         3.50    (#    567:25  Unique         3.07, 4.22 A)
 &rst
  ixpk= 567, nxpk= 25, iat=2037,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  137 TYR  HN          130 VAL  MGY         4.50    (#    568:25  Unique         3.46, 5.43 A)
 &rst
  ixpk= 568, nxpk= 25, iat=2123,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  HN          130 VAL  MGY         3.50    (#    569:25  Unique         1.99, 3.55 A)
 &rst
  ixpk= 569, nxpk= 25, iat=2021,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#   56 VAL  HN           56 VAL  MGY         2.80    (#    570:25  Unique         2.20, 3.18 A)
 &rst
  ixpk= 570, nxpk= 25, iat= 894,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    6 ARG  HE           56 VAL  MGY         3.50    (#    571:25  Unique         2.09, 3.38 A)
 &rst
  ixpk= 571, nxpk= 25, iat=  99,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   64 GLY  HN           56 VAL  MGY         5.50    (#    572:25  Unique         5.06, 7.03 A)
 &rst
  ixpk= 572, nxpk= 25, iat=1022,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    3 ILE  HN            2 VAL  MGX         3.50    (#    573:25  Unique         1.97, 3.81 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  37,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#    3 ILE  HN            2 VAL  MGY         2.80    (#    574:25  Unique         1.97, 3.81 A)
 &rst
  ixpk= 574, nxpk= 25, iat=  37,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#  145 VAL  HN          145 VAL  MGY         3.50    (#    575:25  Unique         2.28, 4.13 A)
 &rst
  ixpk= 575, nxpk= 25, iat=2260,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  122 PHE  HE          120 VAL  MGX         3.50    (#    577:25  Unique         2.80, 6.06 A)
 &rst
  ixpk= 577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1902,1906,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  116 PHE  HE          120 VAL  MGX         3.50    (#    578:25  Unique         3.27, 6.48 A)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1794,1798,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  120 VAL  HN          120 VAL  MGX         2.80    (#    579:25  Unique         1.95, 3.66 A)
 &rst
  ixpk= 579, nxpk= 25, iat=1869,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#    0 AMB  25-2:580    120 VAL  MGX         2.80    (#    580:25  Single Ambig)
 &rst
  ixpk= 580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1900,1908,1885,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  147 ALA  HN          147 ALA  MB          2.80    (#    581:25  Unique         2.07, 3.28 A)
 &rst
  ixpk= 581, nxpk= 25, iat=2283,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2287,2288,2289,
 &end
#
#   79 ASP  HN           82 VAL  MGY         3.50    (#    583:25  Unique         3.34, 5.39 A)
 &rst
  ixpk= 583, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   55 ALA  HN           55 ALA  MB          2.80    (#    584:25  Unique         2.19, 2.97 A)
 &rst
  ixpk= 584, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 888, 889, 890,
 &end
#
#   82 VAL  HN           82 VAL  MGY         2.80    (#    585:25  Unique         1.94, 3.26 A)
 &rst
  ixpk= 585, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#  123 LYS  HN          145 VAL  MGX         3.50    (#    586:25  Unique         3.41, 5.61 A)
 &rst
  ixpk= 586, nxpk= 25, iat=1912,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  145 VAL  HN          145 VAL  MGX         2.80    (#    587:25  Unique         2.28, 4.13 A)
 &rst
  ixpk= 587, nxpk= 25, iat=2260,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  114 VAL  HN          113 ALA  MB          3.50    (#    588:25  Unique         2.70, 3.53 A)
 &rst
  ixpk= 588, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1755,1756,1757,
 &end
#
#   99 ALA  HN           99 ALA  MB          2.80    (#    589:25  Unique         2.77, 3.40 A)
 &rst
  ixpk= 589, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1547,1548,1549,
 &end
#
#   64 GLY  HN           63 VAL  MGX         3.50    (#    590:25  Unique         2.14, 4.49 A)
 &rst
  ixpk= 590, nxpk= 25, iat=1022,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    4 SER  HN            3 ILE  MG2         3.50    (#    591:25  Unique         2.22, 2.71 A)
 &rst
  ixpk= 591, nxpk= 25, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  43,  44,  45,
 &end
#
#   56 VAL  HN            3 ILE  MG2         4.50    (#    592:25  Unique         4.22, 4.80 A)
 &rst
  ixpk= 592, nxpk= 25, iat= 894,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  43,  44,  45,
 &end
#
#   63 VAL  HN           63 VAL  MGX         2.80    (#    593:25  Unique         1.93, 3.22 A)
 &rst
  ixpk= 593, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   49 GLU  HN           50 ALA  MB          4.50    (#    594:25  Unique         3.51, 4.42 A)
 &rst
  ixpk= 594, nxpk= 25, iat= 786,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 805, 806, 807,
 &end
#
#   50 ALA  HN           50 ALA  MB          2.80    (#    595:25  Unique         2.39, 3.12 A)
 &rst
  ixpk= 595, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 805, 806, 807,
 &end
#
#   46 PHE  HE           50 ALA  MB          4.50    (#    596:25  Unique         4.44, 7.11 A)
 &rst
  ixpk= 596, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 743, 747,
 igr2= 805, 806, 807,
 &end
#
#   56 VAL  HN           56 VAL  MGX         2.80    (#    597:25  Unique         2.20, 3.18 A)
 &rst
  ixpk= 597, nxpk= 25, iat= 894,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   60 ASP  HN           56 VAL  MGX         4.50    (#    598:25  Unique         4.58, 5.61 A)
 &rst
  ixpk= 598, nxpk= 25, iat= 963,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   57 ASN  HN           56 VAL  MGX         4.50    (#    599:25  Unique         3.91, 4.48 A)
 &rst
  ixpk= 599, nxpk= 25, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    6 ARG  HE           56 VAL  MGX         4.50    (#    600:25  Unique         2.09, 3.38 A)
 &rst
  ixpk= 600, nxpk= 25, iat=  99,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    4 SER  HN           56 VAL  MGX         3.50    (#    601:25  Unique         2.92, 5.17 A)
 &rst
  ixpk= 601, nxpk= 25, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   79 ASP  HN           78 ILE  MG2         3.50    (#    602:25  Unique         1.94, 2.73 A)
 &rst
  ixpk= 602, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1240,1241,1242,
 &end
#
#  131 ASP  HN          130 VAL  MGX         3.50    (#    603:25  Unique         3.07, 4.22 A)
 &rst
  ixpk= 603, nxpk= 25, iat=2037,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  134 GLY  HN          130 VAL  MGX         4.50    (#    604:25  Unique         3.94, 5.00 A)
 &rst
  ixpk= 604, nxpk= 25, iat=2080,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  HN          130 VAL  MGX         2.80    (#    605:25  Unique         1.99, 3.55 A)
 &rst
  ixpk= 605, nxpk= 25, iat=2021,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#    6 ARG  HN            5 ILE  MG2         2.80    (#    606:25  Unique         2.24, 3.16 A)
 &rst
  ixpk= 606, nxpk= 25, iat=  86,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=  73,  74,  75,
 &end
#
#   94 HIS  HE1           5 ILE  MG2         4.50    (#    608:25  Unique         4.62, 5.18 A)
 &rst
  ixpk= 608, nxpk= 25, iat=1479,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  73,  74,  75,
 &end
#
#   53 TRP  HE3           5 ILE  MG2         3.50    (#    609:25  Unique         2.35, 3.43 A)
 &rst
  ixpk= 609, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  73,  74,  75,
 &end
#
#   97 SER  HN           98 MET  ME          5.50    (#    610:25  Unique         4.84, 5.88 A)
 &rst
  ixpk= 610, nxpk= 25, iat=1515,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1537,1538,1539,
 &end
#
#    0 AMB  25-2:611     19 ILE  MG2         4.50    (#    611:25  Single Ambig)
 &rst
  ixpk= 611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1253, 365,
 igr2= 304, 305, 306,
 &end
#
#   19 ILE  HN           19 ILE  MG2         4.50    (#    612:25  Unique         4.28, 4.49 A)
 &rst
  ixpk= 612, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 304, 305, 306,
 &end
#
#   77 PHE  HD           19 ILE  MG2         4.50    (#    614:25  Unique         5.00, 6.52 A)
 &rst
  ixpk= 614, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1222,1230,
 igr2= 304, 305, 306,
 &end
#
#    0 AMB  25-2:615     19 ILE  MG2         4.50    (#    615:25  Single Ambig)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1039,1043,1037,1045,
 igr2= 304, 305, 306,
 &end
#
#   53 TRP  HZ2          98 MET  ME          5.50    (#    616:25  Unique         4.12, 4.94 A)
 &rst
  ixpk= 616, nxpk= 25, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1537,1538,1539,
 &end
#
#   98 MET  HN           98 MET  ME          3.50    (#    617:25  Unique         3.19, 4.27 A)
 &rst
  ixpk= 617, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1537,1538,1539,
 &end
#
#   64 GLY  HN           19 ILE  MD1         4.50    (#    618:25  Unique         2.12, 3.53 A)
 &rst
  ixpk= 618, nxpk= 25, iat=1022,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 311, 312, 313,
 &end
#
#   19 ILE  HN           19 ILE  MD1         4.50    (#    619:25  Unique         3.27, 3.81 A)
 &rst
  ixpk= 619, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 311, 312, 313,
 &end
#
#    0 AMB  25-2:620     78 ILE  MD1         4.50    (#    620:25  Single Ambig)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1372,1379,
 igr2=1247,1248,1249,
 &end
#
#    0 AMB  25-2:621     43 VAL  MGX         2.80    (#    621:25  Single Ambig)
 &rst
  ixpk= 621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 682, 753,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   44 ARG  HN           43 VAL  MGX         3.50    (#    622:25  Unique         3.83, 4.53 A)
 &rst
  ixpk= 622, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:623     43 VAL  MGY         2.80    (#    623:25  Single Ambig)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 682, 753,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   44 ARG  HN           43 VAL  MGY         4.50    (#    624:25  Unique         3.83, 4.53 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#  104 THR  HN          104 THR  MG2         3.50    (#    625:25  Unique         2.00, 3.11 A)
 &rst
  ixpk= 625, nxpk= 25, iat=1615,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1621,1622,1623,
 &end
#
#  122 PHE  HE          104 THR  MG2         4.50    (#    626:25  Unique         2.62, 4.33 A)
 &rst
  ixpk= 626, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1902,1906,
 igr2=1621,1622,1623,
 &end
#
#    5 ILE  HA            5 ILE  HG1-        3.50    (#    627:25  Unique         3.11, 3.48 A)
 &rst
  ixpk= 627, nxpk= 25, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  77,  78,
 &end
#
#    5 ILE  HA            5 ILE  HG1+        3.50    (#    628:25  Unique         3.11, 3.48 A)
 &rst
  ixpk= 628, nxpk= 25, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  77,  78,
 &end
#
#   66 MET  HA           76 LEU  MDY         5.50    (#    629:25  Unique         3.02, 4.63 A)
 &rst
  ixpk= 629, nxpk= 25, iat=1051,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:630     68 LEU  MDY         4.50    (#    630:25  Single Ambig)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1087,1141,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   35 TYR  HE            0 AMB  25-1:633    3.50    (#    633:25  Single Ambig)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1= 553, 558,
 igr2=2070,2071,2072,2074,2075,2076, 495,
 &end
#
#   31 LEU  HN           31 LEU  MDY         3.50    (#    635:25  Unique         1.95, 4.45 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  142 LEU  HA          142 LEU  MDX         2.80    (#    636:25  Unique         2.37, 4.17 A)
 &rst
  ixpk= 636, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:637    102 LEU  MDX         4.50    (#    637:25  Single Ambig)
 &rst
  ixpk= 637, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1141,2231,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:639     68 LEU  MDX         2.80    (#    639:25  Single Ambig)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1087,1141,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  139 LEU  HA            0 AMB  25-1:641    2.80    (#    641:25  Single Ambig)
 &rst
  ixpk= 641, nxpk= 25, iat=2160,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#   67 LEU  HA           67 LEU  MDX         2.80    (#    642:25  Unique         1.99, 3.78 A)
 &rst
  ixpk= 642, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#  144 TYR  HE           96 LEU  MDY         3.50    (#    643:25  Unique         2.00, 4.49 A)
 &rst
  ixpk= 643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2249,2254,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#    0 AMB  25-2:644     54 VAL  MGY         3.50    (#    644:25  Single Ambig)
 &rst
  ixpk= 644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 102,1031,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HA           54 VAL  MGY         2.80    (#    645:25  Unique         2.15, 3.27 A)
 &rst
  ixpk= 645, nxpk= 25, iat= 870,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:646     39 LEU  MDX         4.50    (#    646:25  Single Ambig)
 &rst
  ixpk= 646, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 553, 558, 332,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#  110 ASN  HD2-        106 VAL  MGY         3.50    (#    647:25  Unique         1.93, 6.22 A)
 &rst
  ixpk= 647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1714,1715,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  117 TYR  HE          106 VAL  MGY         3.50    (#    648:25  Unique         4.14, 5.89 A)
 &rst
  ixpk= 648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1814,1819,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  142 LEU  HA            0 AMB  25-1:649    3.50    (#    649:25  Single Ambig)
 &rst
  ixpk= 649, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1956,1957,1958,1940,1941,1942,1944,1945,1946,
 &end
#
#  110 ASN  HD2-        106 VAL  MGX         4.50    (#    650:25  Unique         1.93, 6.22 A)
 &rst
  ixpk= 650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1714,1715,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#   31 LEU  HN           31 LEU  MDX         3.50    (#    651:25  Unique         1.95, 4.45 A)
 &rst
  ixpk= 651, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  127 ARG  HA          140 LEU  MDY         3.50    (#    652:25  Unique         2.11, 4.65 A)
 &rst
  ixpk= 652, nxpk= 25, iat=1973,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2186,2187,2188,2190,2191,2192,
 &end
#
#    0 AMB  25-2:653     54 VAL  MGX         4.50    (#    653:25  Single Ambig)
 &rst
  ixpk= 653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 102,1031,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HA           54 VAL  MGX         3.50    (#    654:25  Unique         2.15, 3.27 A)
 &rst
  ixpk= 654, nxpk= 25, iat= 870,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   56 VAL  HA           56 VAL  MGY         2.80    (#    657:25  Unique         2.23, 3.45 A)
 &rst
  ixpk= 657, nxpk= 25, iat= 896,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   55 ALA  HA           55 ALA  MB          2.80    (#    660:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 660, nxpk= 25, iat= 886,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 888, 889, 890,
 &end
#
#  102 LEU  HN           99 ALA  MB          4.50    (#    661:25  Unique         3.07, 4.05 A)
 &rst
  ixpk= 661, nxpk= 25, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1547,1548,1549,
 &end
#
#   56 VAL  HA           63 VAL  MGX         3.50    (#    662:25  Unique         2.90, 4.60 A)
 &rst
  ixpk= 662, nxpk= 25, iat= 896,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   56 VAL  HA           56 VAL  MGX         2.80    (#    663:25  Unique         2.23, 3.45 A)
 &rst
  ixpk= 663, nxpk= 25, iat= 896,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    5 ILE  HA            5 ILE  MG2         2.80    (#    664:25  Unique         2.34, 3.03 A)
 &rst
  ixpk= 664, nxpk= 25, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=  73,  74,  75,
 &end
#
#    6 ARG  HA            5 ILE  MG2         3.50    (#    665:25  Unique         3.63, 4.66 A)
 &rst
  ixpk= 665, nxpk= 25, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  73,  74,  75,
 &end
#
#    5 ILE  HA            5 ILE  MD1         2.80    (#    666:25  Unique         2.09, 2.97 A)
 &rst
  ixpk= 666, nxpk= 25, iat=  69,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=  80,  81,  82,
 &end
#
#   54 VAL  HN           54 VAL  MGY         3.50    (#    667:25  Unique         1.99, 3.62 A)
 &rst
  ixpk= 667, nxpk= 25, iat= 868,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#  125 THR  HN            0 AMB  25-1:668    2.80    (#    668:25  Single Ambig)
 &rst
  ixpk= 668, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr2=1956,1957,1958,1940,1941,1942,1944,1945,1946,
 &end
#
#  125 THR  HN          142 LEU  MDX         4.50    (#    669:25  Unique         3.62, 5.92 A)
 &rst
  ixpk= 669, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  112 GLN  HN          112 GLN  HG+         3.50    (#    670:25  Unique         2.11, 3.55 A)
 &rst
  ixpk= 670, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1741,1742,
 &end
#
#  125 THR  HN          124 VAL  MGY         3.50    (#    671:25  Unique         2.92, 4.57 A)
 &rst
  ixpk= 671, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   54 VAL  HN           54 VAL  MGX         2.80    (#    672:25  Unique         1.99, 3.62 A)
 &rst
  ixpk= 672, nxpk= 25, iat= 868,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   93 GLU  HN           93 GLU  HG+         2.80    (#    673:25  Unique         2.74, 3.31 A)
 &rst
  ixpk= 673, nxpk= 25, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1461,1462,
 &end
#
#  144 TYR  HN          144 TYR  HB+         2.80    (#    674:25  Unique         2.30, 2.54 A)
 &rst
  ixpk= 674, nxpk= 25, iat=2239,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2243,2244,
 &end
#
#  106 VAL  HN          105 ASN  HB-         3.50    (#    675:25  Unique         2.38, 3.24 A)
 &rst
  ixpk= 675, nxpk= 25, iat=1643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1633,1634,
 &end
#
#   67 LEU  HN           66 MET  HG-         4.50    (#    676:25  Unique         3.01, 3.99 A)
 &rst
  ixpk= 676, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1056,1057,
 &end
#
#  126 GLY  HN          141 ASN  HB-         3.50    (#    677:25  Unique         2.87, 3.53 A)
 &rst
  ixpk= 677, nxpk= 25, iat=1964,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2200,2201,
 &end
#
#   21 CYS  HN           21 CYS  HB+         4.50    (#    678:25  Unique         2.14, 2.56 A)
 &rst
  ixpk= 678, nxpk= 25, iat= 341,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 345, 346,
 &end
#
#   81 ASP  HN           81 ASP  HB-         3.50    (#    679:25  Unique         2.07, 2.67 A)
 &rst
  ixpk= 679, nxpk= 25, iat=1279,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1283,1284,
 &end
#
#   94 HIS  HN           94 HIS  HB-         2.80    (#    680:25  Unique         2.07, 2.63 A)
 &rst
  ixpk= 680, nxpk= 25, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1473,1474,
 &end
#
#   94 HIS  HN           94 HIS  HB+         3.50    (#    681:25  Unique         2.07, 2.63 A)
 &rst
  ixpk= 681, nxpk= 25, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1473,1474,
 &end
#
#  105 ASN  HD2+        105 ASN  HB+         2.80    (#    682:25  Unique         2.12, 3.18 A)
 &rst
  ixpk= 682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1638,1639,
 igr2=1633,1634,
 &end
#
#   29 ASP  HN           29 ASP  HB+         3.50    (#    683:25  Unique         2.08, 2.78 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 456,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 460, 461,
 &end
#
#  105 ASN  HN          105 ASN  HB+         3.50    (#    684:25  Unique         2.61, 3.31 A)
 &rst
  ixpk= 684, nxpk= 25, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1633,1634,
 &end
#
#   29 ASP  HN           29 ASP  HB-         3.50    (#    685:25  Unique         2.08, 2.78 A)
 &rst
  ixpk= 685, nxpk= 25, iat= 456,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 460, 461,
 &end
#
#   25 ASP  HN           25 ASP  HB-         2.80    (#    686:25  Unique         2.14, 2.80 A)
 &rst
  ixpk= 686, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 407, 408,
 &end
#
#   72 HIS  HN           72 HIS  HB-         2.80    (#    687:25  Unique         2.76, 3.22 A)
 &rst
  ixpk= 687, nxpk= 25, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1143,1144,
 &end
#
#   38 GLU  HN           38 GLU  HG+         2.80    (#    688:25  Unique         2.04, 3.18 A)
 &rst
  ixpk= 688, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 609, 610,
 &end
#
#  105 ASN  HD2+        105 ASN  HB-         3.50    (#    689:25  Unique         2.12, 3.18 A)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1638,1639,
 igr2=1633,1634,
 &end
#
#   22 ARG  HN           21 CYS  HB+         3.50    (#    690:25  Unique         2.73, 3.51 A)
 &rst
  ixpk= 690, nxpk= 25, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 345, 346,
 &end
#
#   20 TRP  HN           20 TRP  HB+         3.50    (#    691:25  Unique         2.31, 2.54 A)
 &rst
  ixpk= 691, nxpk= 25, iat= 317,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 321, 322,
 &end
#
#   20 TRP  HN           20 TRP  HB-         3.50    (#    692:25  Unique         2.31, 2.54 A)
 &rst
  ixpk= 692, nxpk= 25, iat= 317,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 321, 322,
 &end
#
#    0 AMB  25-2:693      0 AMB  25-1:693    2.80    (#    693:25  Double Ambig)
 &rst
  ixpk= 693, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 651, 663,
 igr2= 655, 656, 655, 656,
 &end
#
#    0 AMB  25-2:694     41 ASP  HB-         2.80    (#    694:25  Single Ambig)
 &rst
  ixpk= 694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 651, 663,
 igr2= 655, 656,
 &end
#
#   12 GLU  HN           12 GLU  HG+         2.80    (#    695:25  Unique         2.32, 3.00 A)
 &rst
  ixpk= 695, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 208, 209,
 &end
#
#  105 ASN  HD2-        105 ASN  HB+         3.50    (#    696:25  Unique         2.12, 3.18 A)
 &rst
  ixpk= 696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1638,1639,
 igr2=1633,1634,
 &end
#
#  109 GLN  HE2-         30 PHE  HB+         3.50    (#    699:25  Unique         2.18, 3.47 A)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1700,1701,
 igr2= 472, 473,
 &end
#
#    0 AMB  25-2:700      0 AMB  25-1:700    3.50    (#    700:25  Double Ambig)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1746,1747,1134,1135,
 igr2=1741,1742,1129,1130,
 &end
#
#  107 ASN  HD2-          0 AMB  25-1:702    3.50    (#    702:25  Single Ambig)
 &rst
  ixpk= 702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1668,1669,
 igr2=2127,2128,2127,2128,
 &end
#
#  116 PHE  HD            0 AMB  25-1:703    4.50    (#    703:25  Single Ambig)
 &rst
  ixpk= 703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1792,1800,
 igr2=1808,1809,1808,1809,
 &end
#
#   67 LEU  HA           67 LEU  HB+         3.50    (#    704:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 704, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   68 LEU  HA           68 LEU  HB-         3.50    (#    705:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 705, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1089,1090,
 &end
#
#   68 LEU  HA           68 LEU  HB+         3.50    (#    706:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 706, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1089,1090,
 &end
#
#  105 ASN  HA          105 ASN  HB+         2.80    (#    707:25  Unique         2.31, 2.65 A)
 &rst
  ixpk= 707, nxpk= 25, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1633,1634,
 &end
#
#  105 ASN  HA          105 ASN  HB-         2.80    (#    708:25  Unique         2.31, 2.65 A)
 &rst
  ixpk= 708, nxpk= 25, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1633,1634,
 &end
#
#  141 ASN  HA          141 ASN  HB+         2.80    (#    709:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 709, nxpk= 25, iat=2198,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2200,2201,
 &end
#
#  141 ASN  HA          141 ASN  HB-         2.80    (#    710:25  Unique         2.61, 2.81 A)
 &rst
  ixpk= 710, nxpk= 25, iat=2198,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2200,2201,
 &end
#
#  137 TYR  HA            0 AMB  25-1:711    2.80    (#    711:25  Single Ambig)
 &rst
  ixpk= 711, nxpk= 25, iat=2125,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=2127,2128,2127,2128,
 &end
#
#   57 ASN  HA           57 ASN  HB-         2.80    (#    712:25  Unique         2.29, 2.46 A)
 &rst
  ixpk= 712, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 914, 915,
 &end
#
#   66 MET  HA           66 MET  HB+         3.50    (#    715:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 715, nxpk= 25, iat=1051,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1053,1054,
 &end
#
#  117 TYR  HE          106 VAL  HB          3.50    (#    718:25  Unique         3.56, 4.41 A)
 &rst
  ixpk= 718, nxpk= 25, iat=  -1,1647, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1814,1819,
 &end
#
#   56 VAL  HA           56 VAL  HB          2.80    (#    719:25  Unique         2.48, 2.50 A)
 &rst
  ixpk= 719, nxpk= 25, iat= 896, 898, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  134 GLY  HA+         130 VAL  HB          3.50    (#    720:25  Unique         2.72, 3.62 A)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,2025, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2082,2083,
 &end
#
#   54 VAL  HA           54 VAL  HB          2.80    (#    721:25  Unique         2.76, 2.77 A)
 &rst
  ixpk= 721, nxpk= 25, iat= 870, 872, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 HIS  HA           72 HIS  HB-         3.50    (#    722:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 722, nxpk= 25, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1143,1144,
 &end
#
#  127 ARG  HA          127 ARG  HB+         3.50    (#    723:25  Unique         2.27, 2.51 A)
 &rst
  ixpk= 723, nxpk= 25, iat=1973,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1975,1976,
 &end
#
#  127 ARG  HA          127 ARG  HB-         3.50    (#    724:25  Unique         2.27, 2.51 A)
 &rst
  ixpk= 724, nxpk= 25, iat=1973,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1975,1976,
 &end
#
#    6 ARG  HA            6 ARG  HB+         2.80    (#    725:25  Unique         2.37, 2.45 A)
 &rst
  ixpk= 725, nxpk= 25, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  90,  91,
 &end
#
#    6 ARG  HA            6 ARG  HB-         2.80    (#    726:25  Unique         2.37, 2.45 A)
 &rst
  ixpk= 726, nxpk= 25, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  90,  91,
 &end
#
#   66 MET  HA           66 MET  HG+         3.50    (#    727:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 727, nxpk= 25, iat=1051,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1056,1057,
 &end
#
#   66 MET  HA           66 MET  HG-         3.50    (#    728:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 728, nxpk= 25, iat=1051,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1056,1057,
 &end
#
#   94 HIS  HA           94 HIS  HB+         3.50    (#    729:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 729, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1473,1474,
 &end
#
#   35 TYR  HA           38 GLU  HB+         3.50    (#    730:25  Unique         2.58, 3.57 A)
 &rst
  ixpk= 730, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 606, 607,
 &end
#
#   35 TYR  HA           38 GLU  HB-         3.50    (#    731:25  Unique         2.58, 3.57 A)
 &rst
  ixpk= 731, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 606, 607,
 &end
#
#   11 GLU  HA            0 AMB  25-1:732    2.80    (#    732:25  Single Ambig)
 &rst
  ixpk= 732, nxpk= 25, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 190, 191, 190, 191,
 &end
#
#   66 MET  HA           75 ALA  MB          5.50    (#    734:25  Unique         5.95, 6.68 A)
 &rst
  ixpk= 734, nxpk= 25, iat=1051,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1189,1190,1191,
 &end
#
#  142 LEU  HA          143 ALA  MB          4.50    (#    735:25  Unique         4.19, 4.88 A)
 &rst
  ixpk= 735, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=2233,2234,2235,
 &end
#
#  143 ALA  HA          103 THR  MG2         2.80    (#    736:25  Unique         2.36, 2.98 A)
 &rst
  ixpk= 736, nxpk= 25, iat=2231,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1607,1608,1609,
 &end
#
#  110 ASN  HD2-        113 ALA  MB          2.80    (#    737:25  Unique         2.03, 3.14 A)
 &rst
  ixpk= 737, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1714,1715,
 igr2=1755,1756,1757,
 &end
#
#   94 HIS  HD2          66 MET  ME          3.50    (#    739:25  Unique         2.70, 3.43 A)
 &rst
  ixpk= 739, nxpk= 25, iat=1482,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1060,1061,1062,
 &end
#
#  117 TYR  HE           73 MET  ME          3.50    (#    742:25  Unique         3.76, 5.65 A)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1814,1819,
 igr2=1167,1168,1169,
 &end
#
#   94 HIS  HD2          98 MET  ME          4.50    (#    745:25  Unique         3.95, 5.13 A)
 &rst
  ixpk= 745, nxpk= 25, iat=1482,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1537,1538,1539,
 &end
#
#   54 VAL  HN           54 VAL  HB          3.50    (#    746:25  Unique         3.48, 3.50 A)
 &rst
  ixpk= 746, nxpk= 25, iat= 868, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 LYS  HN            0 AMB  25-1:747    3.50    (#    747:25  Single Ambig)
 &rst
  ixpk= 747, nxpk= 25, iat=1825,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1808,1809,1808,1809,
 &end
#
#   61 GLN  HE2-          0 AMB  25-1:748    3.50    (#    748:25  Single Ambig)
 &rst
  ixpk= 748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 987, 988,
 igr2= 982, 983, 982, 983,
 &end
#
#   35 TYR  HA           35 TYR  HB+         3.50    (#    751:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 751, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 547, 548,
 &end
#
#   72 HIS  HA           72 HIS  HB+         3.50    (#    752:25  Unique         2.34, 2.65 A)
 &rst
  ixpk= 752, nxpk= 25, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1143,1144,
 &end
#
#   73 MET  ME          104 THR  MG2         3.50    (#    755:25  Unique         2.81, 4.66 A)
 &rst
  ixpk= 755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1167,1168,1169,
 igr2=1621,1622,1623,
 &end
#
#  142 LEU  HB+         104 THR  MG2         2.80    (#    756:25  Unique         2.56, 4.06 A)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2214,2215,
 igr2=1621,1622,1623,
 &end
#
#  142 LEU  MDY         104 THR  MG2         2.80    (#    757:25  Unique         2.82, 4.95 A)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1621,1622,1623,
 &end
#
#  104 THR  HB          104 THR  MG2         2.80    (#    759:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 759, nxpk= 25, iat=1619,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1621,1622,1623,
 &end
#
#   24 VAL  MGY          24 VAL  HB          2.80    (#    760:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1, 391, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 393, 394, 395, 397, 398, 399,
 &end
#
#   67 LEU  HG           67 LEU  HB+         2.80    (#    761:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 761, nxpk= 25, iat=1073,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1070,1071,
 &end
#
#   75 ALA  MB           67 LEU  HB+         3.50    (#    762:25  Unique         3.06, 4.39 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1189,1190,1191,
 igr2=1070,1071,
 &end
#
#    0 AMB  25-2:764      0 AMB  25-1:764    2.80    (#    764:25  Double Ambig)
 &rst
  ixpk= 764, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2=1070,1071,1070,1071,
 &end
#
#   52 LEU  MDX          67 LEU  HB+         4.50    (#    765:25  Unique         2.00, 4.96 A)
 &rst
  ixpk= 765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2=1070,1071,
 &end
#
#   67 LEU  HG           67 LEU  HB-         3.50    (#    766:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 766, nxpk= 25, iat=1073,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   75 ALA  MB           67 LEU  HB-         3.50    (#    767:25  Unique         3.06, 4.39 A)
 &rst
  ixpk= 767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1189,1190,1191,
 igr2=1070,1071,
 &end
#
#    0 AMB  25-2:768     67 LEU  HB-         2.80    (#    768:25  Single Ambig)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2=1070,1071,
 &end
#
#   52 LEU  MDX          67 LEU  HB-         2.80    (#    769:25  Unique         2.00, 4.96 A)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2=1070,1071,
 &end
#
#  139 LEU  HG          139 LEU  HB+         2.80    (#    772:25  Unique         2.44, 2.74 A)
 &rst
  ixpk= 772, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2162,2163,
 &end
#
#  139 LEU  HG          139 LEU  HB-         2.80    (#    774:25  Unique         2.44, 2.74 A)
 &rst
  ixpk= 774, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2162,2163,
 &end
#
#   68 LEU  MDY          68 LEU  HB-         2.80    (#    777:25  Unique         1.99, 3.22 A)
 &rst
  ixpk= 777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1089,1090,
 &end
#
#   68 LEU  MDX          68 LEU  HB-         2.80    (#    778:25  Unique         1.99, 3.22 A)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1089,1090,
 &end
#
#   68 LEU  MDY          68 LEU  HB+         2.80    (#    779:25  Unique         1.99, 3.22 A)
 &rst
  ixpk= 779, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1089,1090,
 &end
#
#  102 LEU  HA          102 LEU  HB+         4.50    (#    782:25  Unique         2.28, 2.45 A)
 &rst
  ixpk= 782, nxpk= 25, iat=1584,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1586,1587,
 &end
#
#    0 AMB  25-2:783      0 AMB  25-1:783    3.50    (#    783:25  Double Ambig)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1586,1587,1586,1587,
 &end
#
#   52 LEU  HA           52 LEU  HB+         3.50    (#    784:25  Unique         2.33, 2.44 A)
 &rst
  ixpk= 784, nxpk= 25, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 829, 830,
 &end
#
#   52 LEU  MDY          52 LEU  HB+         3.50    (#    786:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 829, 830,
 &end
#
#   52 LEU  HA           52 LEU  HB-         3.50    (#    787:25  Unique         2.33, 2.44 A)
 &rst
  ixpk= 787, nxpk= 25, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 829, 830,
 &end
#
#   52 LEU  MDX          52 LEU  HB-         3.50    (#    788:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 829, 830,
 &end
#
#   52 LEU  MDY          52 LEU  HB-         3.50    (#    790:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 829, 830,
 &end
#
#  127 ARG  HB-         127 ARG  HD-         3.50    (#    792:25  Unique         2.38, 3.01 A)
 &rst
  ixpk= 792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1975,1976,
 igr2=1981,1982,
 &end
#
#  127 ARG  HG+         127 ARG  HD-         2.80    (#    793:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1978,1979,
 igr2=1981,1982,
 &end
#
#    0 AMB  25-2:794    127 ARG  HD-         2.80    (#    794:25  Single Ambig)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1981,1982,
 &end
#
#    0 AMB  25-2:796      0 AMB  25-1:796    3.50    (#    796:25  Double Ambig)
 &rst
  ixpk= 796, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1240,1241,1242, 311, 312, 313,
 igr2=1257,1258,1257,1258,
 &end
#
#   79 ASP  HA           79 ASP  HB-         2.80    (#    797:25  Unique         2.27, 2.78 A)
 &rst
  ixpk= 797, nxpk= 25, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1257,1258,
 &end
#
#    0 AMB  25-2:799     79 ASP  HB-         2.80    (#    799:25  Single Ambig)
 &rst
  ixpk= 799, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1297,1298,1299,1301,1302,1303, 308, 309,
 igr2=1257,1258,
 &end
#
#    0 AMB  25-2:800     79 ASP  HB-         2.80    (#    800:25  Single Ambig)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 304, 305, 306,1240,1241,1242,
 igr2=1257,1258,
 &end
#
#   31 LEU  MDY          31 LEU  HB+         3.50    (#    801:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#   31 LEU  MDY          31 LEU  HB-         3.50    (#    803:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#   31 LEU  MDX          31 LEU  HB-         3.50    (#    804:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#   74 ASP  HA           74 ASP  HB+         2.80    (#    805:25  Unique         2.38, 2.80 A)
 &rst
  ixpk= 805, nxpk= 25, iat=1175,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1177,1178,
 &end
#
#   67 LEU  HB+          74 ASP  HB+         3.50    (#    806:25  Unique         1.96, 3.70 A)
 &rst
  ixpk= 806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1070,1071,
 igr2=1177,1178,
 &end
#
#   67 LEU  HG           74 ASP  HB+         3.50    (#    807:25  Unique         1.98, 3.02 A)
 &rst
  ixpk= 807, nxpk= 25, iat=1073,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1177,1178,
 &end
#
#   75 ALA  MB           74 ASP  HB+         4.50    (#    808:25  Unique         3.45, 4.89 A)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1189,1190,1191,
 igr2=1177,1178,
 &end
#
#    0 AMB  25-2:809      0 AMB  25-1:809    2.80    (#    809:25  Double Ambig)
 &rst
  ixpk= 809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2=1177,1178,1177,1178,
 &end
#
#   74 ASP  HA           74 ASP  HB-         2.80    (#    810:25  Unique         2.38, 2.80 A)
 &rst
  ixpk= 810, nxpk= 25, iat=1175,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1177,1178,
 &end
#
#    0 AMB  25-2:811     74 ASP  HB-         2.80    (#    811:25  Single Ambig)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2=1177,1178,
 &end
#
#    0 AMB  25-2:814    140 LEU  HB-         2.80    (#    814:25  Single Ambig)
 &rst
  ixpk= 814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=2181,2182,
 &end
#
#    0 AMB  25-2:815      0 AMB  25-1:815    2.80    (#    815:25  Double Ambig)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=2070,2071,2072,2074,2075,2076,2097,2098,
 igr2=2100,2101,2100,2101,2100,2101,
 &end
#
#   39 LEU  MDY          39 LEU  HB+         2.80    (#    818:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 621, 622,
 &end
#
#   76 LEU  HA           76 LEU  HB+         3.50    (#    820:25  Unique         2.33, 2.76 A)
 &rst
  ixpk= 820, nxpk= 25, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1199,1200,
 &end
#
#    0 AMB  25-2:821      0 AMB  25-1:821    3.50    (#    821:25  Double Ambig)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1204,1205,1206,1208,1209,1210, 626, 627, 628, 630,
       631, 632,
 igr2=1199,1200, 621, 622,
 &end
#
#   76 LEU  HA           76 LEU  HB-         3.50    (#    822:25  Unique         2.33, 2.76 A)
 &rst
  ixpk= 822, nxpk= 25, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1199,1200,
 &end
#
#   76 LEU  MDX          76 LEU  HB-         3.50    (#    823:25  Unique         2.11, 3.25 A)
 &rst
  ixpk= 823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1204,1205,1206,1208,1209,1210,
 igr2=1199,1200,
 &end
#
#   77 PHE  HA           77 PHE  HB-         3.50    (#    824:25  Unique         2.51, 2.78 A)
 &rst
  ixpk= 824, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1218,1219,
 &end
#
#   39 LEU  HA           39 LEU  HB-         3.50    (#    826:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 826, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 621, 622,
 &end
#
#   39 LEU  MDX          39 LEU  HB-         3.50    (#    827:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 621, 622,
 &end
#
#   39 LEU  MDY          39 LEU  HB-         3.50    (#    828:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 626, 627, 628, 630, 631, 632,
 igr2= 621, 622,
 &end
#
#    0 AMB  25-2:830      0 AMB  25-1:830    3.50    (#    830:25  Double Ambig)
 &rst
  ixpk= 830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2097,2098,2097,2098,
 igr2=2100,2101,2100,2101,
 &end
#
#    0 AMB  25-2:831      0 AMB  25-1:831    2.80    (#    831:25  Double Ambig)
 &rst
  ixpk= 831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
 igr1=2070,2071,2072,2074,2075,2076,2094,2095,2094,2095,
      2094,2095,
 igr2=2100,2101,2100,2101,2100,2101,2100,2101,
 &end
#
#    0 AMB  25-2:835      0 AMB  25-1:835    2.80    (#    835:25  Double Ambig)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1832,1833,1854,1855,
 igr2=1838,1839,1860,1861,
 &end
#
#  124 VAL  MGY         118 LYS  HE+         3.50    (#    836:25  Unique         1.99, 4.28 A)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=1838,1839,
 &end
#
#  123 LYS  HA          123 LYS  HE-         4.50    (#    837:25  Unique         3.59, 4.28 A)
 &rst
  ixpk= 837, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1925,1926,
 &end
#
#  123 LYS  HD-         123 LYS  HE-         2.80    (#    838:25  Unique         2.31, 2.66 A)
 &rst
  ixpk= 838, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1922,1923,
 igr2=1925,1926,
 &end
#
#  123 LYS  HG+         123 LYS  HE-         3.50    (#    839:25  Unique         2.11, 3.12 A)
 &rst
  ixpk= 839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1919,1920,
 igr2=1925,1926,
 &end
#
#   46 PHE  HA           46 PHE  HB-         2.80    (#    840:25  Unique         2.79, 2.85 A)
 &rst
  ixpk= 840, nxpk= 25, iat= 735,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 737, 738,
 &end
#
#   96 LEU  HA           96 LEU  HB+         2.80    (#    842:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 842, nxpk= 25, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1500,1501,
 &end
#
#   93 GLU  HA           96 LEU  HB+         3.50    (#    843:25  Unique         2.45, 3.14 A)
 &rst
  ixpk= 843, nxpk= 25, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1500,1501,
 &end
#
#   96 LEU  HA           96 LEU  HB-         2.80    (#    844:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 844, nxpk= 25, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1500,1501,
 &end
#
#    0 AMB  25-2:846     96 LEU  HB-         2.80    (#    846:25  Single Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1500,1501,
 &end
#
#   96 LEU  HG           96 LEU  HB-         2.80    (#    847:25  Unique         2.46, 2.74 A)
 &rst
  ixpk= 847, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1500,1501,
 &end
#
#  123 LYS  HA          118 LYS  HE+         2.80    (#    849:25  Unique         2.42, 3.64 A)
 &rst
  ixpk= 849, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1838,1839,
 &end
#
#  114 VAL  MGY         118 LYS  HE+         3.50    (#    850:25  Unique         3.62, 6.18 A)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,1769,1771,1772,1773,
 igr2=1838,1839,
 &end
#
#  123 LYS  HA          118 LYS  HE-         2.80    (#    851:25  Unique         2.42, 3.64 A)
 &rst
  ixpk= 851, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1838,1839,
 &end
#
#    0 AMB  25-2:852      0 AMB  25-1:852    2.80    (#    852:25  Double Ambig)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 672, 673, 674, 676, 677, 678,1767,1768,1769,1771,
      1772,1773,
 igr2= 737, 738,1838,1839,
 &end
#
#    0 AMB  25-2:853    118 LYS  HE-         2.80    (#    853:25  Single Ambig)
 &rst
  ixpk= 853, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1832,1833,1835,1836,
 igr2=1838,1839,
 &end
#
#  118 LYS  HG-         118 LYS  HE-         3.50    (#    854:25  Unique         2.03, 3.26 A)
 &rst
  ixpk= 854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1832,1833,
 igr2=1838,1839,
 &end
#
#  139 LEU  HG          105 ASN  HB-         2.80    (#    855:25  Unique         2.56, 3.50 A)
 &rst
  ixpk= 855, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1633,1634,
 &end
#
#   42 LEU  HA           42 LEU  HB+         2.80    (#    856:25  Unique         2.30, 2.44 A)
 &rst
  ixpk= 856, nxpk= 25, iat= 665,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#   42 LEU  MDX          42 LEU  HB+         2.80    (#    858:25  Unique         2.01, 3.23 A)
 &rst
  ixpk= 858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 672, 673, 674, 676, 677, 678,
 igr2= 667, 668,
 &end
#
#   42 LEU  HA           42 LEU  HB-         2.80    (#    859:25  Unique         2.30, 2.44 A)
 &rst
  ixpk= 859, nxpk= 25, iat= 665,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#   42 LEU  MDX          42 LEU  HB-         2.80    (#    861:25  Unique         2.01, 3.23 A)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 672, 673, 674, 676, 677, 678,
 igr2= 667, 668,
 &end
#
#    7 ARG  HA            7 ARG  HD+         2.80    (#    864:25  Unique         2.80, 3.41 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 120, 121,
 &end
#
#    7 ARG  HB+           7 ARG  HD+         3.50    (#    865:25  Unique         2.00, 3.39 A)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 114, 115,
 igr2= 120, 121,
 &end
#
#    7 ARG  HB-           7 ARG  HD+         3.50    (#    866:25  Unique         2.00, 3.39 A)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 114, 115,
 igr2= 120, 121,
 &end
#
#    7 ARG  HG+           7 ARG  HD+         2.80    (#    867:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,
 igr2= 120, 121,
 &end
#
#    7 ARG  HG-           7 ARG  HD+         2.80    (#    868:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,
 igr2= 120, 121,
 &end
#
#  133 LEU  HA          133 LEU  HB+         3.50    (#    870:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 870, nxpk= 25, iat=2063,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2065,2066,
 &end
#
#    7 ARG  HA            7 ARG  HD-         2.80    (#    871:25  Unique         2.80, 3.41 A)
 &rst
  ixpk= 871, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 120, 121,
 &end
#
#  133 LEU  HG          133 LEU  HB+         2.80    (#    873:25  Unique         2.59, 2.82 A)
 &rst
  ixpk= 873, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2065,2066,
 &end
#
#    0 AMB  25-2:874      0 AMB  25-1:874    2.80    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=2097,2098, 117, 118,
 igr2=2065,2066, 120, 121,
 &end
#
#  133 LEU  MDX         133 LEU  HB+         3.50    (#    875:25  Unique         2.12, 3.22 A)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2070,2071,2072,2074,2075,2076,
 igr2=2065,2066,
 &end
#
#    0 AMB  25-2:876      0 AMB  25-1:876    2.80    (#    876:25  Double Ambig)
 &rst
  ixpk= 876, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 117, 118,2094,2095,
 igr2= 120, 121,2065,2066,
 &end
#
#   91 LEU  MDX          91 LEU  HB+         3.50    (#    878:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=1423,1424,
 &end
#
#   91 LEU  MDY          91 LEU  HB+         2.80    (#    879:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=1423,1424,
 &end
#
#  133 LEU  MDX         133 LEU  HB-         2.80    (#    880:25  Unique         2.12, 3.22 A)
 &rst
  ixpk= 880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2070,2071,2072,2074,2075,2076,
 igr2=2065,2066,
 &end
#
#   66 MET  HB-          91 LEU  HB-         3.50    (#    881:25  Unique         2.49, 4.26 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1053,1054,
 igr2=1423,1424,
 &end
#
#   91 LEU  MDX          91 LEU  HB-         2.80    (#    882:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=1423,1424,
 &end
#
#   91 LEU  MDY          91 LEU  HB-         3.50    (#    884:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=1423,1424,
 &end
#
#  132 ASP  HA          132 ASP  HB+         2.80    (#    889:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 889, nxpk= 25, iat=2051,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2053,2054,
 &end
#
#   41 ASP  HA           41 ASP  HB+         2.80    (#    890:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 655, 656,
 &end
#
#   38 GLU  HA           41 ASP  HB+         2.80    (#    891:25  Unique         2.85, 3.48 A)
 &rst
  ixpk= 891, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 655, 656,
 &end
#
#    0 AMB  25-2:892      0 AMB  25-1:892    4.50    (#    892:25  Double Ambig)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2068, 667, 668,
 igr2=2053,2054, 655, 656,
 &end
#
#    0 AMB  25-2:893      0 AMB  25-1:893    3.50    (#    893:25  Double Ambig)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2070,2071,2072,2074,2075,2076,2094,2095,2094,2095,
       672, 673, 674, 676, 677, 678,
 igr2=2053,2054,2053,2054,2053,2054, 655, 656,
 &end
#
#    0 AMB  25-2:894      0 AMB  25-1:894    2.80    (#    894:25  Double Ambig)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1281,1827,
 igr2=1283,1284,1896,1897,
 &end
#
#  132 ASP  HA          132 ASP  HB-         2.80    (#    895:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 895, nxpk= 25, iat=2051,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2053,2054,
 &end
#
#   41 ASP  HA           41 ASP  HB-         2.80    (#    896:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 896, nxpk= 25, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 655, 656,
 &end
#
#   38 GLU  HA           41 ASP  HB-         2.80    (#    897:25  Unique         2.85, 3.48 A)
 &rst
  ixpk= 897, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 655, 656,
 &end
#
#    0 AMB  25-2:898     78 ILE  HB          3.50    (#    898:25  Single Ambig)
 &rst
  ixpk= 898, nxpk= 25, iat=  -1,1238, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1236,1216,
 &end
#
#   78 ILE  HG1-         78 ILE  HB          2.80    (#    899:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,1238, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1244,1245,
 &end
#
#   78 ILE  HG1+         78 ILE  HB          2.80    (#    900:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 900, nxpk= 25, iat=  -1,1238, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1244,1245,
 &end
#
#   78 ILE  MG2          78 ILE  HB          2.80    (#    901:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 901, nxpk= 25, iat=  -1,1238, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1240,1241,1242,
 &end
#
#   78 ILE  MD1          78 ILE  HB          2.80    (#    902:25  Unique         2.39, 3.18 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  -1,1238, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1247,1248,1249,
 &end
#
#    0 AMB  25-2:905     47 LEU  HB-         3.50    (#    905:25  Single Ambig)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 755, 700,
 igr2= 757, 758,
 &end
#
#    0 AMB  25-2:909      0 AMB  25-1:909    3.50    (#    909:25  Double Ambig)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 755, 700,
 igr2= 757, 758, 757, 758,
 &end
#
#   48 PRO  HD+          47 LEU  HB+         3.50    (#    910:25  Unique         1.98, 2.65 A)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 773, 774,
 igr2= 757, 758,
 &end
#
#   48 PRO  HD+          47 LEU  HB-         3.50    (#    912:25  Unique         1.98, 2.65 A)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 773, 774,
 igr2= 757, 758,
 &end
#
#   47 LEU  MDY          47 LEU  HB-         2.80    (#    914:25  Unique         2.34, 3.29 A)
 &rst
  ixpk= 914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 762, 763, 764, 766, 767, 768,
 igr2= 757, 758,
 &end
#
#   25 ASP  HA           25 ASP  HB-         2.80    (#    916:25  Unique         2.34, 2.79 A)
 &rst
  ixpk= 916, nxpk= 25, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 407, 408,
 &end
#
#   22 ARG  HA           25 ASP  HB-         3.50    (#    917:25  Unique         2.81, 3.59 A)
 &rst
  ixpk= 917, nxpk= 25, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#    3 ILE  HG1-          3 ILE  HB          2.80    (#    918:25  Unique         2.42, 2.46 A)
 &rst
  ixpk= 918, nxpk= 25, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#    3 ILE  HG1+          3 ILE  HB          2.80    (#    919:25  Unique         2.42, 2.46 A)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#    3 ILE  MG2           3 ILE  HB          2.80    (#    920:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 920, nxpk= 25, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  43,  44,  45,
 &end
#
#    5 ILE  HG1+          5 ILE  HB          2.80    (#    921:25  Unique         2.43, 2.46 A)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,  71, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  77,  78,
 &end
#
#    5 ILE  MD1           5 ILE  HB          3.50    (#    922:25  Unique         3.57, 3.92 A)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  71, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  80,  81,  82,
 &end
#
#    5 ILE  MG2           5 ILE  HB          2.80    (#    923:25  Unique         2.38, 2.63 A)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,  71, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  73,  74,  75,
 &end
#
#   29 ASP  HA           29 ASP  HB+         2.80    (#    924:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 924, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 460, 461,
 &end
#
#   29 ASP  HA           29 ASP  HB-         2.80    (#    926:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 926, nxpk= 25, iat= 458,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 460, 461,
 &end
#
#    0 AMB  25-2:931     57 ASN  HB-         2.80    (#    931:25  Single Ambig)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1297,1298,1299,1301,1302,1303,1012,1013,1014,1016,
      1017,1018,
 igr2= 914, 915,
 &end
#
#    0 AMB  25-2:932      0 AMB  25-1:932    3.50    (#    932:25  Double Ambig)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1586,1587,1560,1561,1557,1558,
 igr2=2243,2244,2243,2244,2243,2244,
 &end
#
#  144 TYR  HA          144 TYR  HB-         2.80    (#    934:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 934, nxpk= 25, iat=2241,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2243,2244,
 &end
#
#   66 MET  HG+          66 MET  HB+         3.50    (#    940:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1056,1057,
 igr2=1053,1054,
 &end
#
#    0 AMB  25-2:941      0 AMB  25-1:941    2.80    (#    941:25  Double Ambig)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
 igr1= 308, 309,1204,1205,1206,1208,1209,1210,
 igr2= 302,1053,1054,1053,1054,
 &end
#
#   66 MET  HG+          66 MET  HB-         3.50    (#    942:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1056,1057,
 igr2=1053,1054,
 &end
#
#    0 AMB  25-2:944      0 AMB  25-1:944    2.80    (#    944:25  Double Ambig)
 &rst
  ixpk= 944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1456,1405,
 igr2=1461,1462,1461,1462,
 &end
#
#   93 GLU  HB-          93 GLU  HG+         2.80    (#    946:25  Unique         2.21, 2.71 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1458,1459,
 igr2=1461,1462,
 &end
#
#    0 AMB  25-2:947     93 GLU  HG-         2.80    (#    947:25  Single Ambig)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1456,1405,
 igr2=1461,1462,
 &end
#
#  117 TYR  HA            0 AMB  25-1:950    2.80    (#    950:25  Single Ambig)
 &rst
  ixpk= 950, nxpk= 25, iat=1806,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1808,1809,1808,1809,
 &end
#
#    0 AMB  25-2:951      0 AMB  25-1:951    2.80    (#    951:25  Double Ambig)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1896,1897,1896,1897,
 igr2=1808,1809,1808,1809,
 &end
#
#  142 LEU  MDY           0 AMB  25-1:952    2.80    (#    952:25  Single Ambig)
 &rst
  ixpk= 952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1808,1809,1808,1809,
 &end
#
#  110 ASN  HA          110 ASN  HB-         3.50    (#    953:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 953, nxpk= 25, iat=1707,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1709,1710,
 &end
#
#   15 GLU  HA           15 GLU  HG+         2.80    (#    955:25  Unique         2.17, 3.00 A)
 &rst
  ixpk= 955, nxpk= 25, iat= 240,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 245, 246,
 &end
#
#  101 GLU  HA          101 GLU  HG+         2.80    (#    956:25  Unique         2.61, 3.20 A)
 &rst
  ixpk= 956, nxpk= 25, iat=1569,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1574,1575,
 &end
#
#  108 GLU  HA          108 GLU  HG+         2.80    (#    957:25  Unique         2.03, 2.66 A)
 &rst
  ixpk= 957, nxpk= 25, iat=1675,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1680,1681,
 &end
#
#  101 GLU  HA          101 GLU  HG-         2.80    (#    958:25  Unique         2.61, 3.20 A)
 &rst
  ixpk= 958, nxpk= 25, iat=1569,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1574,1575,
 &end
#
#    0 AMB  25-2:959      0 AMB  25-1:959    2.80    (#    959:25  Double Ambig)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 532, 533, 928, 929, 928, 929,
 igr2= 535, 536, 931, 932, 931, 932,
 &end
#
#  101 GLU  HB-         101 GLU  HG+         2.80    (#    960:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1571,1572,
 igr2=1574,1575,
 &end
#
#    0 AMB  25-2:961      0 AMB  25-1:961    2.80    (#    961:25  Double Ambig)
 &rst
  ixpk= 961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1680,1681,1680,1681,
 &end
#
#    0 AMB  25-2:962      0 AMB  25-1:962    3.50    (#    962:25  Double Ambig)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 776, 777,2184,
 igr2= 793, 794,1680,1681,
 &end
#
#  108 GLU  HA          108 GLU  HG-         2.80    (#    963:25  Unique         2.03, 2.66 A)
 &rst
  ixpk= 963, nxpk= 25, iat=1675,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:964    108 GLU  HG-         2.80    (#    964:25  Single Ambig)
 &rst
  ixpk= 964, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1680,1681,
 &end
#
#    0 AMB  25-2:965      0 AMB  25-1:965    3.50    (#    965:25  Double Ambig)
 &rst
  ixpk= 965, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 946, 947, 946, 947,
 igr2= 931, 932, 931, 932,
 &end
#
#  111 GLU  HA          111 GLU  HG+         2.80    (#    966:25  Unique         2.18, 2.99 A)
 &rst
  ixpk= 966, nxpk= 25, iat=1721,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1726,1727,
 &end
#
#    0 AMB  25-2:967      0 AMB  25-1:967    2.80    (#    967:25  Double Ambig)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 926, 188,
 igr2= 931, 932, 193, 194, 193, 194,
 &end
#
#    0 AMB  25-2:968      0 AMB  25-1:968    2.80    (#    968:25  Double Ambig)
 &rst
  ixpk= 968, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1692,1693, 149, 150,
 igr2=1695,1696, 193, 194, 193, 194,
 &end
#
#    0 AMB  25-2:969      0 AMB  25-1:969    2.80    (#    969:25  Double Ambig)
 &rst
  ixpk= 969, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 604,2008,
 igr2= 609, 610,2013,2014,
 &end
#
#   14 GLU  HA           14 GLU  HG-         2.80    (#    970:25  Unique         2.16, 2.80 A)
 &rst
  ixpk= 970, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 230, 231,
 &end
#
#    2 VAL  MGY          58 GLU  HG-         2.80    (#    971:25  Unique         2.04, 5.21 A)
 &rst
  ixpk= 971, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  27,  28,  29,  31,  32,  33,
 igr2= 931, 932,
 &end
#
#   40 GLU  HA           40 GLU  HG-         2.80    (#    972:25  Unique         2.23, 2.87 A)
 &rst
  ixpk= 972, nxpk= 25, iat= 638,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 643, 644,
 &end
#
#   49 GLU  HA           49 GLU  HG+         2.80    (#    973:25  Unique         2.64, 3.13 A)
 &rst
  ixpk= 973, nxpk= 25, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 793, 794,
 &end
#
#   49 GLU  HA           49 GLU  HG-         2.80    (#    974:25  Unique         2.64, 3.13 A)
 &rst
  ixpk= 974, nxpk= 25, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 793, 794,
 &end
#
#   38 GLU  HA           38 GLU  HG+         2.80    (#    975:25  Unique         2.32, 2.98 A)
 &rst
  ixpk= 975, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 609, 610,
 &end
#
#  129 GLU  HB-         129 GLU  HG+         2.80    (#    977:25  Unique         2.21, 2.69 A)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2010,2011,
 igr2=2013,2014,
 &end
#
#  109 GLN  HB-         109 GLN  HG+         3.50    (#    978:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1692,1693,
 igr2=1695,1696,
 &end
#
#    0 AMB  25-2:979      0 AMB  25-1:979    3.50    (#    979:25  Double Ambig)
 &rst
  ixpk= 979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 155, 156,1663,1664,
 igr2= 193, 194, 193, 194,1695,1696,
 &end
#
#  109 GLN  HA          109 GLN  HG-         2.80    (#    980:25  Unique         2.31, 2.82 A)
 &rst
  ixpk= 980, nxpk= 25, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1695,1696,
 &end
#
#  109 GLN  HB-         109 GLN  HG-         3.50    (#    981:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1692,1693,
 igr2=1695,1696,
 &end
#
#  123 LYS  HA            0 AMB  25-1:982    2.80    (#    982:25  Single Ambig)
 &rst
  ixpk= 982, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1916,1917,1916,1917,
 &end
#
#  123 LYS  HG-           0 AMB  25-1:983    2.80    (#    983:25  Single Ambig)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1919,1920,
 igr2=1916,1917,1916,1917,
 &end
#
#  106 VAL  HA          106 VAL  HB          2.80    (#    984:25  Unique         2.45, 2.51 A)
 &rst
  ixpk= 984, nxpk= 25, iat=1645,1647, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  106 VAL  MGY         106 VAL  HB          2.80    (#    985:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,1647, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  106 VAL  MGX         106 VAL  HB          2.80    (#    986:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,1647, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  142 LEU  MDY         106 VAL  HB          3.50    (#    987:25  Unique         2.17, 4.27 A)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,1647, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#   12 GLU  HA           12 GLU  HG+         3.50    (#    988:25  Unique         2.77, 3.75 A)
 &rst
  ixpk= 988, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 208, 209,
 &end
#
#   12 GLU  HB-          12 GLU  HG+         2.80    (#    989:25  Unique         2.21, 2.67 A)
 &rst
  ixpk= 989, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 205, 206,
 igr2= 208, 209,
 &end
#
#    0 AMB  25-2:990      0 AMB  25-1:990    4.50    (#    990:25  Double Ambig)
 &rst
  ixpk= 990, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 149, 150, 152, 153, 152, 153,
 igr2= 208, 209, 208, 209, 208, 209,
 &end
#
#    0 AMB  25-2:991      0 AMB  25-1:991    3.50    (#    991:25  Double Ambig)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 208, 209, 208, 209,
 &end
#
#    0 AMB  25-2:993     12 GLU  HG-         2.80    (#    993:25  Single Ambig)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 208, 209,
 &end
#
#   60 ASP  HA           56 VAL  HB          2.80    (#    995:25  Unique         2.15, 2.21 A)
 &rst
  ixpk= 995, nxpk= 25, iat= 965, 898, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  MGX          56 VAL  HB          2.80    (#    996:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    1 MET  HA            1 MET  HB+         3.50    (#    998:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 998, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HB-         3.50    (#   1000:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    1 MET  HG-           1 MET  HB-         2.80    (#   1001:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#  130 VAL  HA          130 VAL  HB          2.80    (#   1003:25  Unique         2.67, 2.69 A)
 &rst
  ixpk= 1003, nxpk= 25, iat=2023,2025, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  134 GLY  HA-         130 VAL  HB          2.80    (#   1004:25  Unique         2.72, 3.62 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,2025, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2082,2083,
 &end
#
#  130 VAL  MGY         130 VAL  HB          2.80    (#   1005:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1005, nxpk= 25, iat=  -1,2025, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  112 GLN  HA          112 GLN  HG+         2.80    (#   1006:25  Unique         2.14, 2.80 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=1736,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1741,1742,
 &end
#
#    0 AMB  25-2:1008     0 AMB  25-1:1008   2.80    (#   1008:25  Double Ambig)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1738,1739,1738,1739,
 igr2=1741,1742,1741,1742,
 &end
#
#   71 GLN  HA           71 GLN  HG+         2.80    (#   1010:25  Unique         2.56, 2.86 A)
 &rst
  ixpk= 1010, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1129,1130,
 &end
#
#   71 GLN  HB-          71 GLN  HG+         2.80    (#   1011:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1126,1127,
 igr2=1129,1130,
 &end
#
#   99 ALA  HA           71 GLN  HG+         3.50    (#   1012:25  Unique         2.86, 3.64 A)
 &rst
  ixpk= 1012, nxpk= 25, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1129,1130,
 &end
#
#   99 ALA  MB           71 GLN  HG+         2.80    (#   1014:25  Unique         1.96, 3.36 A)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1547,1548,1549,
 igr2=1129,1130,
 &end
#
#  112 GLN  HA          112 GLN  HG-         2.80    (#   1015:25  Unique         2.14, 2.80 A)
 &rst
  ixpk= 1015, nxpk= 25, iat=1736,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1741,1742,
 &end
#
#   99 ALA  HA           71 GLN  HG-         2.80    (#   1017:25  Unique         2.86, 3.64 A)
 &rst
  ixpk= 1017, nxpk= 25, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1129,1130,
 &end
#
#   71 GLN  HA           71 GLN  HG-         2.80    (#   1018:25  Unique         2.56, 2.86 A)
 &rst
  ixpk= 1018, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1129,1130,
 &end
#
#   71 GLN  HB-          71 GLN  HG-         2.80    (#   1020:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1126,1127,
 igr2=1129,1130,
 &end
#
#   99 ALA  MB           71 GLN  HG-         2.80    (#   1021:25  Unique         1.96, 3.36 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1547,1548,1549,
 igr2=1129,1130,
 &end
#
#   54 VAL  MGY          54 VAL  HB          2.80    (#   1022:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1022, nxpk= 25, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  MGX          54 VAL  HB          2.80    (#   1023:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1023, nxpk= 25, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   56 VAL  MGY          54 VAL  HB          2.80    (#   1024:25  Unique         3.06, 4.68 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#   98 MET  HA           98 MET  HB+         2.80    (#   1025:25  Unique         2.37, 2.69 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=1528,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1530,1531,
 &end
#
#  102 LEU  MDX          73 MET  HB-         2.80    (#   1026:25  Unique         2.04, 4.33 A)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1160,1161,
 &end
#
#  145 VAL  HA          145 VAL  HB          3.50    (#   1028:25  Unique         2.56, 2.97 A)
 &rst
  ixpk= 1028, nxpk= 25, iat=2262,2264, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1029   145 VAL  HB          2.80    (#   1029:25  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,2264, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#    0 AMB  25-2:1030     0 AMB  25-1:1030   2.80    (#   1030:25  Double Ambig)
 &rst
  ixpk= 1030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1978,1979,2181,2182,
 igr2=1975,1976,1975,1976,
 &end
#
#    0 AMB  25-2:1031     0 AMB  25-1:1031   3.50    (#   1031:25  Double Ambig)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1975,1976,1975,1976,
 &end
#
#    0 AMB  25-2:1032   127 ARG  HB-         2.80    (#   1032:25  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1978,1979,2181,2182,
 igr2=1975,1976,
 &end
#
#    0 AMB  25-2:1033   127 ARG  HB-         3.50    (#   1033:25  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1975,1976,
 &end
#
#   63 VAL  HA           63 VAL  HB          2.80    (#   1034:25  Unique         2.36, 2.49 A)
 &rst
  ixpk= 1034, nxpk= 25, iat=1008,1010, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:1035    63 VAL  HB          2.80    (#   1035:25  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 25, iat=  -1,1010, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1012,1013,1014,1016,1017,1018,1297,1298,1299,1301,
      1302,1303,
 &end
#
#   63 VAL  MGX          63 VAL  HB          2.80    (#   1036:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,1010, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#   61 GLN  HA            0 AMB  25-1:1037   2.80    (#   1037:25  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 25, iat= 977,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 982, 983, 982, 983,
 &end
#
#    0 AMB  25-2:1038     0 AMB  25-1:1038   2.80    (#   1038:25  Double Ambig)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 979, 980, 979, 980, 979, 980,
 igr2= 982, 983, 982, 983, 982, 983,
 &end
#
#  138 PRO  HA          138 PRO  HB+         2.80    (#   1039:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1039, nxpk= 25, iat=2154,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2151,2152,
 &end
#
#   59 ARG  HB-           0 AMB  25-1:1040   2.80    (#   1040:25  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 943, 944,
 igr2= 982, 983, 982, 983,
 &end
#
#  138 PRO  HD-         138 PRO  HB-         3.50    (#   1042:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2145,2146,
 igr2=2151,2152,
 &end
#
#  138 PRO  HA          138 PRO  HB-         2.80    (#   1043:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1043, nxpk= 25, iat=2154,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2151,2152,
 &end
#
#    9 ARG  HD-           9 ARG  HB+         4.50    (#   1045:25  Unique         2.23, 3.07 A)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 155, 156,
 igr2= 149, 150,
 &end
#
#   62 PRO  HA           62 PRO  HB-         3.50    (#   1047:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1047, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 999,1000,
 &end
#
#    9 ARG  HA            9 ARG  HB-         3.50    (#   1048:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1048, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 149, 150,
 &end
#
#    9 ARG  HD+           9 ARG  HB-         4.50    (#   1049:25  Unique         2.23, 3.07 A)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 155, 156,
 igr2= 149, 150,
 &end
#
#    9 ARG  HD-           9 ARG  HB-         3.50    (#   1050:25  Unique         2.23, 3.07 A)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 155, 156,
 igr2= 149, 150,
 &end
#
#   62 PRO  HA           62 PRO  HB+         2.80    (#   1053:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 999,1000,
 &end
#
#    0 AMB  25-2:1054     0 AMB  25-1:1054   3.50    (#   1054:25  Double Ambig)
 &rst
  ixpk= 1054, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1779,1780, 993, 994,
 igr2=1829,1830,1829,1830, 999,1000,
 &end
#
#    0 AMB  25-2:1056     0 AMB  25-1:1056   2.80    (#   1056:25  Double Ambig)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  27,  28,  29,  31,  32,  33, 874, 875, 876, 878,
       879, 880,
 igr2=  25, 999,1000,
 &end
#
#    0 AMB  25-2:1057     0 AMB  25-1:1057   2.80    (#   1057:25  Double Ambig)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 874, 875, 876, 878, 879, 880, 311, 312, 313,
 igr2= 999,1000, 999,1000,
 &end
#
#    0 AMB  25-2:1058     0 AMB  25-1:1058   2.80    (#   1058:25  Double Ambig)
 &rst
  ixpk= 1058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 999,1000, 999,1000,
 &end
#
#   62 PRO  HD-          62 PRO  HB-         4.50    (#   1059:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 993, 994,
 igr2= 999,1000,
 &end
#
#    6 ARG  HG+           6 ARG  HB-         3.50    (#   1061:25  Unique         2.21, 2.71 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#   54 VAL  MGY          62 PRO  HB-         3.50    (#   1062:25  Unique         2.27, 4.44 A)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2= 999,1000,
 &end
#
#    0 AMB  25-2:1063    62 PRO  HB-         2.80    (#   1063:25  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 874, 875, 876, 878, 879, 880, 311, 312, 313,
 igr2= 999,1000,
 &end
#
#    0 AMB  25-2:1064    62 PRO  HB-         2.80    (#   1064:25  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 999,1000,
 &end
#
#  100 PRO  HA          100 PRO  HB+         2.80    (#   1065:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1065, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1560,1561,
 &end
#
#  100 PRO  HD-         100 PRO  HB+         3.50    (#   1066:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1066, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1560,1561,
 &end
#
#  100 PRO  HD+         100 PRO  HB+         4.50    (#   1068:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1554,1555,
 igr2=1560,1561,
 &end
#
#    0 AMB  25-2:1069     0 AMB  25-1:1069   3.50    (#   1069:25  Double Ambig)
 &rst
  ixpk= 1069, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  96,  97,  96,  97,
 igr2=  90,  91,  90,  91,
 &end
#
#    6 ARG  HG+           6 ARG  HB+         3.50    (#   1070:25  Unique         2.21, 2.71 A)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#  124 VAL  HA          124 VAL  HB          3.50    (#   1071:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1071, nxpk= 25, iat=1936,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1072     0 AMB  25-1:1072   2.80    (#   1072:25  Double Ambig)
 &rst
  ixpk= 1072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1940,1941,1942,1944,1945,1946,1767,1768,1769,1771,
      1772,1773,
 igr2=1938,1765,
 &end
#
#  119 LYS  HA            0 AMB  25-1:1073   2.80    (#   1073:25  Single Ambig)
 &rst
  ixpk= 1073, nxpk= 25, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1851,1852,1851,1852,
 &end
#
#  100 PRO  HA          100 PRO  HB-         2.80    (#   1074:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1074, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1560,1561,
 &end
#
#  100 PRO  HD+         100 PRO  HB-         3.50    (#   1075:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1560,1561,
 &end
#
#  118 LYS  HG-           0 AMB  25-1:1077   2.80    (#   1077:25  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1832,1833,
 igr2=1829,1830,1829,1830,
 &end
#
#  118 LYS  HA            0 AMB  25-1:1078   2.80    (#   1078:25  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 25, iat=1827,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1829,1830,1829,1830,
 &end
#
#    0 AMB  25-2:1079     6 ARG  HB-         2.80    (#   1079:25  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=  96,  97,  96,  97,
 igr2=  90,  91,
 &end
#
#   53 TRP  HB+          66 MET  HG+         4.50    (#   1080:25  Unique         4.46, 5.58 A)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 848, 849,
 igr2=1056,1057,
 &end
#
#   66 MET  HB+          66 MET  HG+         2.80    (#   1082:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1082, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1053,1054,
 igr2=1056,1057,
 &end
#
#   66 MET  ME           66 MET  HG+         3.50    (#   1083:25  Unique         2.15, 3.56 A)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1060,1061,1062,
 igr2=1056,1057,
 &end
#
#   76 LEU  MDY          66 MET  HG+         3.50    (#   1085:25  Unique         2.26, 4.58 A)
 &rst
  ixpk= 1085, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1204,1205,1206,1208,1209,1210,
 igr2=1056,1057,
 &end
#
#    0 AMB  25-2:1086     0 AMB  25-1:1086   3.50    (#   1086:25  Double Ambig)
 &rst
  ixpk= 1086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1428,1429,1430,1432,1433,1434,1094,1095,1096,1098,
      1099,1100,
 igr2=1056,1057,1056,1057,
 &end
#
#   53 TRP  HB+          66 MET  HG-         4.50    (#   1087:25  Unique         4.46, 5.58 A)
 &rst
  ixpk= 1087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 848, 849,
 igr2=1056,1057,
 &end
#
#   66 MET  HB+          66 MET  HG-         2.80    (#   1089:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1089, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1053,1054,
 igr2=1056,1057,
 &end
#
#   76 LEU  MDY          66 MET  HG-         3.50    (#   1092:25  Unique         2.26, 4.58 A)
 &rst
  ixpk= 1092, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1204,1205,1206,1208,1209,1210,
 igr2=1056,1057,
 &end
#
#    0 AMB  25-2:1093    66 MET  HG-         4.50    (#   1093:25  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1428,1429,1430,1432,1433,1434,1094,1095,1096,1098,
      1099,1100,
 igr2=1056,1057,
 &end
#
#  114 VAL  MGY         114 VAL  HB          2.80    (#   1097:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1097, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#  111 GLU  HA          114 VAL  HB          2.80    (#   1098:25  Unique         2.39, 2.60 A)
 &rst
  ixpk= 1098, nxpk= 25, iat=1721,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 VAL  HA          114 VAL  HB          3.50    (#   1099:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 1099, nxpk= 25, iat=1763,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HA            0 AMB  25-1:1100   2.80    (#   1100:25  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=1786,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1851,1852,1851,1852,
 &end
#
#  100 PRO  HD-         100 PRO  HB-         2.80    (#   1101:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1554,1555,
 igr2=1560,1561,
 &end
#
#   14 GLU  HA           17 VAL  HB          2.80    (#   1103:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1103, nxpk= 25, iat= 225, 276, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:1104    17 VAL  HB          2.80    (#   1104:25  Single Ambig)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1, 276, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#   80 PRO  HA           80 PRO  HB-         2.80    (#   1105:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=1275,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1272,1273,
 &end
#
#   53 TRP  HA           53 TRP  HB-         3.50    (#   1107:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 1107, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 848, 849,
 &end
#
#    5 ILE  MG2          53 TRP  HB-         4.50    (#   1108:25  Unique         2.14, 2.99 A)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  73,  74,  75,
 igr2= 848, 849,
 &end
#
#    0 AMB  25-2:1109   120 VAL  HB          2.80    (#   1109:25  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#    0 AMB  25-2:1110     0 AMB  25-1:1110   2.80    (#   1110:25  Double Ambig)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1275,1871,
 igr2=1272,1273,1873,
 &end
#
#   48 PRO  HG-          48 PRO  HB+         2.80    (#   1112:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1112, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 776, 777,
 igr2= 779, 780,
 &end
#
#   98 MET  HA           98 MET  HG+         2.80    (#   1113:25  Unique         2.73, 2.98 A)
 &rst
  ixpk= 1113, nxpk= 25, iat=1528,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1533,1534,
 &end
#
#    0 AMB  25-2:1114     0 AMB  25-1:1114   2.80    (#   1114:25  Double Ambig)
 &rst
  ixpk= 1114, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 782,1381,
 igr2= 779, 780,1442,
 &end
#
#   13 GLY  HA-          48 PRO  HB+         3.50    (#   1115:25  Unique         1.93, 3.41 A)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 218, 219,
 igr2= 779, 780,
 &end
#
#   48 PRO  HD-          48 PRO  HB+         4.50    (#   1116:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1116, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 773, 774,
 igr2= 779, 780,
 &end
#
#   49 GLU  HG-          48 PRO  HB+         2.80    (#   1117:25  Unique         2.94, 4.39 A)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 793, 794,
 igr2= 779, 780,
 &end
#
#    0 AMB  25-2:1118     0 AMB  25-1:1118   2.80    (#   1118:25  Double Ambig)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1440,1488,
 igr2=1442,1533,1534,
 &end
#
#   92 VAL  MGX          92 VAL  HB          2.80    (#   1119:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,1442, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#   92 VAL  MGY          92 VAL  HB          2.80    (#   1120:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 1120, nxpk= 25, iat=  -1,1442, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#   90 VAL  HA           90 VAL  HB          3.50    (#   1121:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1121, nxpk= 25, iat=1405,1407, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 VAL  HA           90 VAL  HB          2.80    (#   1122:25  Unique         2.39, 2.47 A)
 &rst
  ixpk= 1122, nxpk= 25, iat=1358,1407, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 MET  HA           98 MET  HG-         3.50    (#   1124:25  Unique         2.73, 2.98 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=1528,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1533,1534,
 &end
#
#   87 VAL  MGY          87 VAL  HB          2.80    (#   1126:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1126, nxpk= 25, iat=  -1,1360, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1362,1363,1364,1366,1367,1368,
 &end
#
#   78 ILE  MD1          87 VAL  HB          3.50    (#   1127:25  Unique         2.89, 3.93 A)
 &rst
  ixpk= 1127, nxpk= 25, iat=  -1,1360, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1247,1248,1249,
 &end
#
#  108 GLU  HA          108 GLU  HB+         3.50    (#   1128:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=1675,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1677,1678,
 &end
#
#    0 AMB  25-2:1129    87 VAL  HB          2.80    (#   1129:25  Single Ambig)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1,1360, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1297,1298,1299,1301,1302,1303,1362,1363,1364,1366,
      1367,1368,
 &end
#
#   48 PRO  HA           48 PRO  HB-         2.80    (#   1131:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1131, nxpk= 25, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 779, 780,
 &end
#
#   48 PRO  HD-          48 PRO  HB-         3.50    (#   1132:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 773, 774,
 igr2= 779, 780,
 &end
#
#    0 AMB  25-2:1134   108 GLU  HB-         3.50    (#   1134:25  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1677,1678,
 &end
#
#   66 MET  ME            0 AMB  25-1:1135   3.50    (#   1135:25  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1060,1061,1062,
 igr2=1473,1474, 848, 849,
 &end
#
#   94 HIS  HA           94 HIS  HB-         3.50    (#   1137:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 1137, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1473,1474,
 &end
#
#   91 LEU  HA           94 HIS  HB-         4.50    (#   1138:25  Unique         2.89, 3.51 A)
 &rst
  ixpk= 1138, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1473,1474,
 &end
#
#    5 ILE  MD1          94 HIS  HB-         3.50    (#   1139:25  Unique         3.71, 5.15 A)
 &rst
  ixpk= 1139, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  80,  81,  82,
 igr2=1473,1474,
 &end
#
#   82 VAL  HA           82 VAL  HB          2.80    (#   1140:25  Unique         2.47, 2.55 A)
 &rst
  ixpk= 1140, nxpk= 25, iat=1293,1295, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   85 CYS  HB-          82 VAL  HB          3.50    (#   1141:25  Unique         2.26, 3.17 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1342,1343,
 &end
#
#    0 AMB  25-2:1142    82 VAL  HB          2.80    (#   1142:25  Single Ambig)
 &rst
  ixpk= 1142, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1362,1363,1364,1366,1367,1368,1297,1298,1299,1301,
      1302,1303,
 &end
#
#  108 GLU  HA          108 GLU  HB-         2.80    (#   1144:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 1144, nxpk= 25, iat=1675,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1677,1678,
 &end
#
#    0 AMB  25-2:1146    43 VAL  HB          2.80    (#   1146:25  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 25, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 638, 684,
 &end
#
#   47 LEU  MDY          43 VAL  HB          4.50    (#   1147:25  Unique         4.21, 6.31 A)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 762, 763, 764, 766, 767, 768,
 &end
#
#   43 VAL  MGY          43 VAL  HB          2.80    (#   1148:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1148, nxpk= 25, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   43 VAL  MGX          43 VAL  HB          2.80    (#   1149:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:1151     0 AMB  25-1:1151   3.50    (#   1151:25  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=   8,   9, 928, 929, 928, 929,
 igr2=  11,  12,  11,  12,  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HG+         4.50    (#   1152:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 1152, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-2:1154     1 MET  HG-         2.80    (#   1154:25  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=   8,   9, 928, 929, 928, 929,
 igr2=  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HG-         3.50    (#   1155:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#   22 ARG  HA           22 ARG  HB-         3.50    (#   1159:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 1159, nxpk= 25, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 356, 357,
 &end
#
#   24 VAL  MGX          24 VAL  HB          2.80    (#   1160:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1, 391, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 393, 394, 395, 397, 398, 399,
 &end
#
#   49 GLU  HA           49 GLU  HB+         2.80    (#   1162:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1162, nxpk= 25, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 790, 791,
 &end
#
#   49 GLU  HA           49 GLU  HB-         2.80    (#   1165:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1165, nxpk= 25, iat= 788,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 790, 791,
 &end
#
#   38 GLU  HA           38 GLU  HB+         2.80    (#   1168:25  Unique         2.47, 2.81 A)
 &rst
  ixpk= 1168, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 606, 607,
 &end
#
#   38 GLU  HA           38 GLU  HB-         2.80    (#   1170:25  Unique         2.47, 2.81 A)
 &rst
  ixpk= 1170, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 606, 607,
 &end
#
#    0 AMB  25-2:1171     0 AMB  25-1:1171   2.80    (#   1171:25  Double Ambig)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1317,1318,1317,1318,1317,1318,
 igr2=1311,1312,1311,1312,1311,1312,
 &end
#
#    0 AMB  25-2:1172    83 ARG  HB-         2.80    (#   1172:25  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1314,1315,1314,1315,
 igr2=1311,1312,
 &end
#
#    0 AMB  25-2:1173     0 AMB  25-1:1173   2.80    (#   1173:25  Double Ambig)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284, 117, 118,
 igr2= 705, 706, 705, 706, 705, 706, 114, 115,
 &end
#
#   44 ARG  HA            0 AMB  25-1:1174   3.50    (#   1174:25  Single Ambig)
 &rst
  ixpk= 1174, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 705, 706, 705, 706,
 &end
#
#    0 AMB  25-2:1175     0 AMB  25-1:1175   2.80    (#   1175:25  Double Ambig)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 708, 709, 708, 709, 708, 709,
 igr2= 705, 706, 705, 706, 705, 706,
 &end
#
#   38 GLU  HG+          38 GLU  HB-         2.80    (#   1177:25  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 609, 610,
 igr2= 606, 607,
 &end
#
#   38 GLU  HA           38 GLU  HB-         2.80    (#   1178:25  Unique         2.47, 2.81 A)
 &rst
  ixpk= 1178, nxpk= 25, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 606, 607,
 &end
#
#  110 ASN  HA            0 AMB  25-1:1181   4.50    (#   1181:25  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 25, iat=1707,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1723,1724,1723,1724,
 &end
#
#  111 GLU  HA            0 AMB  25-1:1182   2.80    (#   1182:25  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 25, iat=1721,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1723,1724,1723,1724,
 &end
#
#   19 ILE  HA           19 ILE  HG1+        4.50    (#   1183:25  Unique         2.28, 2.64 A)
 &rst
  ixpk= 1183, nxpk= 25, iat= 300,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#   19 ILE  MD1          19 ILE  HG1+        2.80    (#   1185:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 311, 312, 313,
 igr2= 308, 309,
 &end
#
#    0 AMB  25-2:1186     0 AMB  25-1:1186   2.80    (#   1186:25  Double Ambig)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1389,1390,1389,1390,1389,1390,
 igr2=1383,1384,1383,1384,1383,1384,
 &end
#
#    0 AMB  25-2:1187     0 AMB  25-1:1187   2.80    (#   1187:25  Double Ambig)
 &rst
  ixpk= 1187, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1309,2008,
 igr2=1311,1312,2010,2011,
 &end
#
#    7 ARG  HG+           7 ARG  HB+         2.80    (#   1190:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,
 igr2= 114, 115,
 &end
#
#    7 ARG  HG-           7 ARG  HB+         2.80    (#   1191:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,
 igr2= 114, 115,
 &end
#
#   44 ARG  HA           44 ARG  HB-         3.50    (#   1192:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1192, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 702, 703,
 &end
#
#    0 AMB  25-2:1193     0 AMB  25-1:1193   2.80    (#   1193:25  Double Ambig)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 708, 709, 708, 709, 708, 709,
 igr2= 702, 703, 702, 703, 702, 703,
 &end
#
#    0 AMB  25-2:1194    44 ARG  HB-         2.80    (#   1194:25  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 igr2= 702, 703,
 &end
#
#   12 GLU  HA           12 GLU  HB+         2.80    (#   1195:25  Unique         2.34, 2.49 A)
 &rst
  ixpk= 1195, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 205, 206,
 &end
#
#   59 ARG  HA           59 ARG  HB+         2.80    (#   1197:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1197, nxpk= 25, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 943, 944,
 &end
#
#    0 AMB  25-2:1198     0 AMB  25-1:1198   3.50    (#   1198:25  Double Ambig)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 949, 950, 949, 950,
 igr2= 943, 944, 943, 944,
 &end
#
#   89 ARG  HA            0 AMB  25-1:1200   2.80    (#   1200:25  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1383,1384,1383,1384,
 &end
#
#   12 GLU  HA           12 GLU  HB-         2.80    (#   1202:25  Unique         2.34, 2.49 A)
 &rst
  ixpk= 1202, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 205, 206,
 &end
#
#    0 AMB  25-2:1203   118 LYS  HD-         2.80    (#   1203:25  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1829,1830,1829,1830,
 igr2=1835,1836,
 &end
#
#  118 LYS  HE-         118 LYS  HD-         3.50    (#   1204:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 1204, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1838,1839,
 igr2=1835,1836,
 &end
#
#  109 GLN  HG-         109 GLN  HB+         2.80    (#   1206:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1695,1696,
 igr2=1692,1693,
 &end
#
#  109 GLN  HA          109 GLN  HB+         2.80    (#   1207:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1207, nxpk= 25, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1692,1693,
 &end
#
#    0 AMB  25-2:1208     0 AMB  25-1:1208   2.80    (#   1208:25  Double Ambig)
 &rst
  ixpk= 1208, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1695,1696,1663,1664,
 igr2=1692,1693,1692,1693,
 &end
#
#   19 ILE  MD1          19 ILE  HG1-        2.80    (#   1210:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1210, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 311, 312, 313,
 igr2= 308, 309,
 &end
#
#    0 AMB  25-2:1212   109 GLN  HB-         4.50    (#   1212:25  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1695,1696,1663,1664,
 igr2=1692,1693,
 &end
#
#  119 LYS  HA          119 LYS  HD-         3.50    (#   1214:25  Unique         1.99, 3.26 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1857,1858,
 &end
#
#  119 LYS  HE-         119 LYS  HD-         2.80    (#   1215:25  Unique         2.24, 2.70 A)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1860,1861,
 igr2=1857,1858,
 &end
#
#  119 LYS  HG+         119 LYS  HD-         2.80    (#   1216:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 1216, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1854,1855,
 igr2=1857,1858,
 &end
#
#  123 LYS  HA          123 LYS  HD-         3.50    (#   1217:25  Unique         3.65, 4.18 A)
 &rst
  ixpk= 1217, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1922,1923,
 &end
#
#  123 LYS  HG-         123 LYS  HD-         2.80    (#   1218:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1919,1920,
 igr2=1922,1923,
 &end
#
#    0 AMB  25-2:1219   123 LYS  HD-         2.80    (#   1219:25  Single Ambig)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 igr2=1922,1923,
 &end
#
#  109 GLN  HG-         109 GLN  HB-         7.00    (#   1222:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1695,1696,
 igr2=1692,1693,
 &end
#
#   15 GLU  HA           15 GLU  HB+         2.80    (#   1229:25  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1229, nxpk= 25, iat= 240,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 242, 243,
 &end
#
#   34 GLU  HA           34 GLU  HB-         2.80    (#   1230:25  Unique         2.41, 2.79 A)
 &rst
  ixpk= 1230, nxpk= 25, iat= 530,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 532, 533,
 &end
#
#   61 GLN  HA            0 AMB  25-1:1231   2.80    (#   1231:25  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 25, iat= 977,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 979, 980, 979, 980,
 &end
#
#   71 GLN  HA           71 GLN  HB-         2.80    (#   1232:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1232, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1126,1127,
 &end
#
#  123 LYS  HE-         123 LYS  HD-         2.80    (#   1234:25  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1234, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1925,1926,
 igr2=1922,1923,
 &end
#
#    0 AMB  25-2:1236    85 CYS  HB-         3.50    (#   1236:25  Single Ambig)
 &rst
  ixpk= 1236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1293,1340,
 igr2=1342,1343,
 &end
#
#    0 AMB  25-2:1238    85 CYS  HB-         3.50    (#   1238:25  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1362,1363,1364,1366,1367,1368,1297,1298,1299,1301,
      1302,1303,
 igr2=1342,1343,
 &end
#
#   71 GLN  HA           71 GLN  HB+         2.80    (#   1239:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1239, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1126,1127,
 &end
#
#   71 GLN  HG-          71 GLN  HB+         2.80    (#   1240:25  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1129,1130,
 igr2=1126,1127,
 &end
#
#   99 ALA  MB           71 GLN  HB+         3.50    (#   1241:25  Unique         2.00, 4.04 A)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1547,1548,1549,
 igr2=1126,1127,
 &end
#
#   40 GLU  HA            0 AMB  25-1:1244   2.80    (#   1244:25  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 25, iat= 638,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 640, 641, 640, 641,
 &end
#
#    0 AMB  25-2:1245     0 AMB  25-1:1245   2.80    (#   1245:25  Double Ambig)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 520,1736, 530,
 igr2= 568, 569,1738,1739,1738,1739, 532, 533,
 &end
#
#    0 AMB  25-2:1246     0 AMB  25-1:1246   2.80    (#   1246:25  Double Ambig)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1456,1405,
 igr2=1458,1459,1458,1459,
 &end
#
#    0 AMB  25-2:1247     0 AMB  25-1:1247   2.80    (#   1247:25  Double Ambig)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1741,1742,1741,1742,
 igr2=1738,1739,1738,1739,
 &end
#
#    0 AMB  25-2:1248     0 AMB  25-1:1248   4.50    (#   1248:25  Double Ambig)
 &rst
  ixpk= 1248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 492, 493, 431, 432, 433,
 igr2= 568, 569,1738,1739,1738,1739,
 &end
#
#   14 GLU  HA            0 AMB  25-1:1249   2.80    (#   1249:25  Single Ambig)
 &rst
  ixpk= 1249, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  25-2:1250     0 AMB  25-1:1250   2.80    (#   1250:25  Double Ambig)
 &rst
  ixpk= 1250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 993, 994,1456,1405,
 igr2= 979, 980, 979, 980,1458,1459,
 &end
#
#    2 VAL  MGY           0 AMB  25-1:1253   4.50    (#   1253:25  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  27,  28,  29,  31,  32,  33,
 igr2= 928, 929, 928, 929,
 &end
#
#   48 PRO  HD+          48 PRO  HG+         2.80    (#   1254:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 773, 774,
 igr2= 776, 777,
 &end
#
#   48 PRO  HD-          48 PRO  HG+         2.80    (#   1255:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 773, 774,
 igr2= 776, 777,
 &end
#
#   48 PRO  HA           48 PRO  HG-         3.50    (#   1257:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 1257, nxpk= 25, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 776, 777,
 &end
#
#   48 PRO  HD+          48 PRO  HG-         3.50    (#   1258:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 773, 774,
 igr2= 776, 777,
 &end
#
#   48 PRO  HB+          48 PRO  HG-         2.80    (#   1259:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 779, 780,
 igr2= 776, 777,
 &end
#
#   76 LEU  MDY          76 LEU  HG          2.80    (#   1261:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1261, nxpk= 25, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1204,1205,1206,1208,1209,1210,
 &end
#
#   76 LEU  MDX          76 LEU  HG          2.80    (#   1262:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1262, nxpk= 25, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:1264    20 TRP  HB-         2.80    (#   1264:25  Single Ambig)
 &rst
  ixpk= 1264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 319, 274,
 igr2= 321, 322,
 &end
#
#   89 ARG  HA           89 ARG  HG-         2.80    (#   1267:25  Unique         2.07, 2.77 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1386,1387,
 &end
#
#   76 LEU  HA           76 LEU  HG          3.50    (#   1268:25  Unique         2.41, 2.53 A)
 &rst
  ixpk= 1268, nxpk= 25, iat=1197,1202, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 LEU  HB+          76 LEU  HG          3.50    (#   1269:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1199,1200,
 &end
#
#    0 AMB  25-2:1270    76 LEU  HG          2.80    (#   1270:25  Single Ambig)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1199,1200,1423,1424,
 &end
#
#    0 AMB  25-2:1271     0 AMB  25-1:1271   2.80    (#   1271:25  Double Ambig)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 821,1569,
 igr2= 818, 819,1571,1572,
 &end
#
#    0 AMB  25-2:1272     0 AMB  25-1:1272   3.50    (#   1272:25  Double Ambig)
 &rst
  ixpk= 1272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 311, 312, 313, 874, 875, 876, 878, 879, 880,
 igr2= 996, 997, 996, 997,
 &end
#
#   51 PRO  HA           51 PRO  HB-         2.80    (#   1273:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1273, nxpk= 25, iat= 821,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 818, 819,
 &end
#
#  133 LEU  MDX         133 LEU  HG          2.80    (#   1274:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2070,2071,2072,2074,2075,2076,
 &end
#
#    9 ARG  HA            0 AMB  25-1:1275   2.80    (#   1275:25  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 152, 153, 152, 153,
 &end
#
#    0 AMB  25-2:1276     0 AMB  25-1:1276   2.80    (#   1276:25  Double Ambig)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 149, 150, 149, 150,
 igr2= 152, 153, 152, 153,
 &end
#
#  102 LEU  HB+         102 LEU  MDY         2.80    (#   1277:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 1277, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1586,1587,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#   96 LEU  HG          102 LEU  MDY         3.50    (#   1278:25  Unique         2.10, 4.23 A)
 &rst
  ixpk= 1278, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:1279   102 LEU  MDY         2.80    (#   1279:25  Single Ambig)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  136 PRO  HA          136 PRO  HB+         3.50    (#   1280:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1280, nxpk= 25, iat=2119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2116,2117,
 &end
#
#  136 PRO  HG+         136 PRO  HB+         2.80    (#   1281:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1281, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2113,2114,
 igr2=2116,2117,
 &end
#
#    0 AMB  25-2:1282     0 AMB  25-1:1282   2.80    (#   1282:25  Double Ambig)
 &rst
  ixpk= 1282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 812, 813, 812, 813,
 igr2= 815, 816, 815, 816,
 &end
#
#   51 PRO  HD-           0 AMB  25-1:1283   2.80    (#   1283:25  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 812, 813,
 igr2= 815, 816, 815, 816,
 &end
#
#    0 AMB  25-2:1284     0 AMB  25-1:1284   3.50    (#   1284:25  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2= 815, 816, 815, 816, 815, 816,
 &end
#
#   62 PRO  HA           62 PRO  HG+         3.50    (#   1285:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 1285, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 996, 997,
 &end
#
#   62 PRO  HD-          62 PRO  HG+         2.80    (#   1286:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 993, 994,
 igr2= 996, 997,
 &end
#
#    0 AMB  25-2:1288     0 AMB  25-1:1288   4.50    (#   1288:25  Double Ambig)
 &rst
  ixpk= 1288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1= 874, 875, 876, 878, 879, 880,1012,1013,1014,1016,
      1017,1018, 308, 309,
 igr2= 996, 997, 996, 997, 996, 997,
 &end
#
#    0 AMB  25-2:1289     0 AMB  25-1:1289   3.50    (#   1289:25  Double Ambig)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,2027,2028,2029,2031,2032,2033,
 igr2= 996, 997, 996, 997,2116,2117,2148,2149,
 &end
#
#    0 AMB  25-2:1290   138 PRO  HG-         2.80    (#   1290:25  Single Ambig)
 &rst
  ixpk= 1290, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2008,2154,
 igr2=2148,2149,
 &end
#
#   79 ASP  HA            0 AMB  25-1:1291   4.50    (#   1291:25  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 25, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1269,1270,1269,1270,
 &end
#
#   62 PRO  HD+          62 PRO  HG-         2.80    (#   1292:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 993, 994,
 igr2= 996, 997,
 &end
#
#   62 PRO  HD-          62 PRO  HG-         2.80    (#   1293:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 993, 994,
 igr2= 996, 997,
 &end
#
#    0 AMB  25-2:1294    62 PRO  HG-         4.50    (#   1294:25  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 311, 312, 313, 874, 875, 876, 878, 879, 880,
 igr2= 996, 997,
 &end
#
#    0 AMB  25-2:1295    62 PRO  HG-         2.80    (#   1295:25  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 996, 997,
 &end
#
#    0 AMB  25-2:1296     0 AMB  25-1:1296   2.80    (#   1296:25  Double Ambig)
 &rst
  ixpk= 1296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1383,1384,1383,1384,
 igr2=1386,1387,1386,1387,
 &end
#
#    0 AMB  25-2:1297     0 AMB  25-1:1297   2.80    (#   1297:25  Double Ambig)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2063,2119,
 igr2=2068,2113,2114,
 &end
#
#    0 AMB  25-2:1298     0 AMB  25-1:1298   2.80    (#   1298:25  Double Ambig)
 &rst
  ixpk= 1298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2116,2117,2065,2066,
 igr2=2113,2114,2068,
 &end
#
#  133 LEU  MDY         133 LEU  HG          2.80    (#   1299:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1299, nxpk= 25, iat=  -1,2068, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2070,2071,2072,2074,2075,2076,
 &end
#
#    0 AMB  25-2:1300     0 AMB  25-1:1300   2.80    (#   1300:25  Double Ambig)
 &rst
  ixpk= 1300, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1383,1384,1383,1384,1089,1090,
 igr2=1386,1387,1092,
 &end
#
#    0 AMB  25-2:1301     0 AMB  25-1:1301   2.80    (#   1301:25  Double Ambig)
 &rst
  ixpk= 1301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1094,1095,1096,1098,1099,1100,1875,1876,1877,1879,
      1880,1881,
 igr2=1092,1386,1387,
 &end
#
#   59 ARG  HA            0 AMB  25-1:1302   2.80    (#   1302:25  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 25, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 946, 947, 946, 947,
 &end
#
#    0 AMB  25-2:1303     0 AMB  25-1:1303   2.80    (#   1303:25  Double Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 949, 950, 949, 950, 949, 950,
 igr2= 946, 947, 946, 947, 946, 947,
 &end
#
#    0 AMB  25-2:1304     0 AMB  25-1:1304   4.50    (#   1304:25  Double Ambig)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=2100,2101,2100,2101,
 igr2=2097,2098,2097,2098,
 &end
#
#    0 AMB  25-2:1305   135 LYS  HD-         3.50    (#   1305:25  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=2100,2101,2100,2101,
 igr2=2097,2098,
 &end
#
#  136 PRO  HG-         136 PRO  HB+         2.80    (#   1307:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2113,2114,
 igr2=2116,2117,
 &end
#
#  100 PRO  HA            0 AMB  25-1:1308   3.50    (#   1308:25  Single Ambig)
 &rst
  ixpk= 1308, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1557,1558,1557,1558,
 &end
#
#  100 PRO  HD+         100 PRO  HG+         2.80    (#   1309:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1554,1555,
 igr2=1557,1558,
 &end
#
#  136 PRO  HD-         136 PRO  HB-         3.50    (#   1310:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2110,2111,
 igr2=2116,2117,
 &end
#
#   91 LEU  HA           91 LEU  HG          4.50    (#   1312:25  Unique         2.71, 2.78 A)
 &rst
  ixpk= 1312, nxpk= 25, iat=1421,1426, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 LEU  MDX          91 LEU  HG          2.80    (#   1313:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1,1426, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#   91 LEU  MDY          91 LEU  HG          2.80    (#   1314:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,1426, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#  136 PRO  HD+         136 PRO  HG-         4.50    (#   1315:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2110,2111,
 igr2=2113,2114,
 &end
#
#  136 PRO  HB+         136 PRO  HG-         2.80    (#   1316:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2116,2117,
 igr2=2113,2114,
 &end
#
#   21 CYS  HA           21 CYS  HB-         2.80    (#   1318:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1318, nxpk= 25, iat= 343,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 345, 346,
 &end
#
#  100 PRO  HD-         100 PRO  HG+         2.80    (#   1320:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1554,1555,
 igr2=1557,1558,
 &end
#
#  136 PRO  HG-         136 PRO  HB-         2.80    (#   1321:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2113,2114,
 igr2=2116,2117,
 &end
#
#   36 ARG  HD-           0 AMB  25-1:1322   4.50    (#   1322:25  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 574, 575,
 igr2= 571, 572, 571, 572,
 &end
#
#  136 PRO  HB-         136 PRO  HG-         2.80    (#   1323:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2116,2117,
 igr2=2113,2114,
 &end
#
#   39 LEU  HA           42 LEU  HG          4.50    (#   1333:25  Unique         2.74, 2.85 A)
 &rst
  ixpk= 1333, nxpk= 25, iat= 619, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1334     0 AMB  25-1:1334   2.80    (#   1334:25  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1309, 520,
 igr2=1314,1315,1314,1315, 571, 572,
 &end
#
#    0 AMB  25-2:1335     0 AMB  25-1:1335   2.80    (#   1335:25  Double Ambig)
 &rst
  ixpk= 1335, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1=1311,1312, 667, 668,
 igr2=1314,1315,1314,1315, 670,
 &end
#
#   80 PRO  HA            0 AMB  25-1:1336   3.50    (#   1336:25  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 25, iat=1275,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1314,1315,1314,1315,
 &end
#
#    0 AMB  25-2:1337     0 AMB  25-1:1337   2.80    (#   1337:25  Double Ambig)
 &rst
  ixpk= 1337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1317,1318,1317,1318,1317,1318,
 igr2=1314,1315,1314,1315,1314,1315,
 &end
#
#  108 GLU  HA          140 LEU  HG          4.50    (#   1339:25  Unique         3.24, 3.45 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=1675,2184, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1340   140 LEU  HG          2.80    (#   1340:25  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 25, iat=  -1,2184, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 &end
#
#    7 ARG  HA            7 ARG  HG+         4.50    (#   1341:25  Unique         2.64, 3.22 A)
 &rst
  ixpk= 1341, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 117, 118,
 &end
#
#    7 ARG  HD+           7 ARG  HG+         2.80    (#   1342:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 120, 121,
 igr2= 117, 118,
 &end
#
#    0 AMB  25-2:1343     0 AMB  25-1:1343   2.80    (#   1343:25  Double Ambig)
 &rst
  ixpk= 1343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 114, 115,  41,
 igr2= 117, 118,  47,  48,
 &end
#
#    3 ILE  MD1           3 ILE  HG1-        2.80    (#   1345:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  50,  51,  52,
 igr2=  47,  48,
 &end
#
#    5 ILE  MD1           5 ILE  HG1-        2.80    (#   1348:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  80,  81,  82,
 igr2=  77,  78,
 &end
#
#    5 ILE  MG2           5 ILE  HG1-        3.50    (#   1349:25  Unique         2.40, 3.49 A)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  73,  74,  75,
 igr2=  77,  78,
 &end
#
#   78 ILE  MD1          78 ILE  HG1-        2.80    (#   1351:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1351, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1247,1248,1249,
 igr2=1244,1245,
 &end
#
#    5 ILE  MG2           5 ILE  HG1+        3.50    (#   1353:25  Unique         2.40, 3.49 A)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  73,  74,  75,
 igr2=  77,  78,
 &end
#
#    7 ARG  HA            7 ARG  HG-         2.80    (#   1354:25  Unique         2.64, 3.22 A)
 &rst
  ixpk= 1354, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 117, 118,
 &end
#
#    7 ARG  HD-           7 ARG  HG-         2.80    (#   1355:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 120, 121,
 igr2= 117, 118,
 &end
#
#   78 ILE  HB           78 ILE  HG1+        2.80    (#   1356:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 1356, nxpk= 25, iat=1238,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1244,1245,
 &end
#
#   78 ILE  MD1          78 ILE  HG1+        2.80    (#   1358:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1247,1248,1249,
 igr2=1244,1245,
 &end
#
#    7 ARG  HD+           7 ARG  HG-         3.50    (#   1359:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 120, 121,
 igr2= 117, 118,
 &end
#
#  142 LEU  MDY         142 LEU  HG          2.80    (#   1361:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,2217, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#   39 LEU  HB+          39 LEU  HG          3.50    (#   1362:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 621, 622,
 &end
#
#    0 AMB  25-2:1363   142 LEU  MDY         4.50    (#   1363:25  Single Ambig)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1896,1897,1838,1839,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  122 PHE  HB-         142 LEU  MDY         4.50    (#   1364:25  Unique         2.53, 4.84 A)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1896,1897,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:1365   142 LEU  MDY         2.80    (#   1365:25  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1808,1809,1808,1809,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  HB+         142 LEU  MDY         2.80    (#   1366:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2214,2215,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  HB-         142 LEU  MDY         3.50    (#   1367:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2214,2215,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:1368   142 LEU  MDY         4.50    (#   1368:25  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=1940,1941,1942,1944,1945,1946,1649,1650,1651,1653,
      1654,1655,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  124 VAL  MGY         142 LEU  MDY         4.50    (#   1369:25  Unique         2.00, 4.77 A)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  106 VAL  MGX         142 LEU  MDY         2.80    (#   1370:25  Unique         2.11, 4.89 A)
 &rst
  ixpk= 1370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1649,1650,1651,1653,1654,1655,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  104 THR  MG2         142 LEU  MDY         2.80    (#   1372:25  Unique         2.82, 4.95 A)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1621,1622,1623,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   52 LEU  MDY          52 LEU  HG          2.80    (#   1374:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   39 LEU  MDX          39 LEU  HG          2.80    (#   1375:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1, 624, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   74 ASP  HB+          67 LEU  MDY         3.50    (#   1377:25  Unique         1.99, 3.55 A)
 &rst
  ixpk= 1377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1177,1178,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   74 ASP  HB-          67 LEU  MDY         3.50    (#   1378:25  Unique         1.99, 3.55 A)
 &rst
  ixpk= 1378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1177,1178,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   67 LEU  HB+          67 LEU  MDY         2.80    (#   1379:25  Unique         2.23, 3.31 A)
 &rst
  ixpk= 1379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1070,1071,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#    8 SER  HB-          16 LEU  MDY         4.50    (#   1380:25  Unique         2.00, 4.12 A)
 &rst
  ixpk= 1380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 138, 139,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   52 LEU  HB+          52 LEU  MDY         2.80    (#   1381:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 1381, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 829, 830,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   52 LEU  HB-          52 LEU  MDY         2.80    (#   1382:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 1382, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 829, 830,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   50 ALA  MB           52 LEU  MDY         3.50    (#   1383:25  Unique         2.23, 5.21 A)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 805, 806, 807,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#  106 VAL  HB          142 LEU  MDY         3.50    (#   1385:25  Unique         2.17, 4.27 A)
 &rst
  ixpk= 1385, nxpk= 25, iat=1647,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:1386    16 LEU  HG          2.80    (#   1386:25  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 25, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#   50 ALA  MB           52 LEU  HG          2.80    (#   1390:25  Unique         2.92, 3.79 A)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  25-2:1391    96 LEU  HG          2.80    (#   1391:25  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#   88 GLY  HA+          76 LEU  MDY         4.50    (#   1392:25  Unique         4.00, 6.26 A)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1374,1375,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   66 MET  HG+          76 LEU  MDY         3.50    (#   1393:25  Unique         2.26, 4.58 A)
 &rst
  ixpk= 1393, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1056,1057,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   91 LEU  MDY          76 LEU  MDY         2.80    (#   1394:25  Unique         2.18, 5.56 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   73 MET  HA           68 LEU  MDY         3.50    (#   1395:25  Unique         1.98, 4.58 A)
 &rst
  ixpk= 1395, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   76 LEU  HA           76 LEU  MDY         2.80    (#   1396:25  Unique         2.35, 4.17 A)
 &rst
  ixpk= 1396, nxpk= 25, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:1397     0 AMB  25-1:1397   5.50    (#   1397:25  Double Ambig)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1421,1498,1381,
 igr2=1204,1205,1206,1208,1209,1210,1094,1095,1096,1098,
      1099,1100,
 &end
#
#    0 AMB  25-2:1398     0 AMB  25-1:1398   2.80    (#   1398:25  Double Ambig)
 &rst
  ixpk= 1398, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1488,1675,
 igr2=1094,1095,1096,1098,1099,1100,2186,2187,2188,2190,
      2191,2192,
 &end
#
#    0 AMB  25-2:1399     0 AMB  25-1:1399   2.80    (#   1399:25  Double Ambig)
 &rst
  ixpk= 1399, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1=1053,1054,2151,2152,1533,1534,
 igr2=1204,1205,1206,1208,1209,1210,2186,2187,2188,2190,
      2191,2192,1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:1400     0 AMB  25-1:1400   2.80    (#   1400:25  Double Ambig)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.32, r4= 7.07,
 igr1=1167,1168,1169,1089,1090,1423,1424,1586,1587,1530,
      1531,
 igr2=1204,1205,1206,1208,1209,1210,1094,1095,1096,1098,
      1099,1100,
 &end
#
#    0 AMB  25-2:1401     0 AMB  25-1:1401   2.80    (#   1401:25  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
 igr1=1490,1491,1492,1199,1200,1423,1424,1092,
 igr2=1094,1095,1096,1098,1099,1100,1204,1205,1206,1208,
      1209,1210,
 &end
#
#    0 AMB  25-2:1402     0 AMB  25-1:1402   2.80    (#   1402:25  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.59, r4= 6.34,
 igr1=1444,1445,1446,1448,1449,1450,1202,2162,2163,
 igr2=1204,1205,1206,1208,1209,1210,2165,
 &end
#
#   76 LEU  HA           76 LEU  MDX         4.50    (#   1404:25  Unique         2.35, 4.17 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   88 GLY  HA+          76 LEU  MDX         3.50    (#   1405:25  Unique         4.00, 6.26 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1374,1375,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:1406    76 LEU  MDX         2.80    (#   1406:25  Single Ambig)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1167,1168,1169,1423,1424,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   76 LEU  HB+          76 LEU  MDX         2.80    (#   1407:25  Unique         2.11, 3.25 A)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1199,1200,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:1408    76 LEU  MDX         2.80    (#   1408:25  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1199,1200,1423,1424,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   16 LEU  HA           16 LEU  MDY         4.50    (#   1410:25  Unique         2.41, 3.94 A)
 &rst
  ixpk= 1410, nxpk= 25, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#    0 AMB  25-2:1411    16 LEU  MDY         3.50    (#   1411:25  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 138, 139, 218, 219,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   13 GLY  HA-          16 LEU  MDY         4.50    (#   1412:25  Unique         2.15, 4.50 A)
 &rst
  ixpk= 1412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 218, 219,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   12 GLU  HG-          16 LEU  MDY         3.50    (#   1413:25  Unique         3.13, 5.16 A)
 &rst
  ixpk= 1413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 208, 209,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   16 LEU  HG           16 LEU  MDY         2.80    (#   1414:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1414, nxpk= 25, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#    0 AMB  25-2:1418    76 LEU  MDY         5.50    (#   1418:25  Single Ambig)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1216,1236,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#  105 ASN  HB+         139 LEU  HG          4.50    (#   1419:25  Unique         2.56, 3.50 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1633,1634,
 &end
#
#    0 AMB  25-2:1420     0 AMB  25-1:1420   3.50    (#   1420:25  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.10, r4= 6.85,
 igr1=1056,1057,1633,1634,
 igr2=1204,1205,1206,1208,1209,1210,2165,
 &end
#
#    0 AMB  25-2:1421    76 LEU  MDX         2.80    (#   1421:25  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1444,1445,1446,1448,1449,1450,1202,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   66 MET  HB+          91 LEU  MDY         3.50    (#   1422:25  Unique         2.00, 3.77 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1053,1054,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   91 LEU  HB+          91 LEU  MDY         2.80    (#   1423:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1423,1424,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   91 LEU  HG           91 LEU  MDY         2.80    (#   1424:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1424, nxpk= 25, iat=1426,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   55 ALA  MB           91 LEU  MDY         2.80    (#   1425:25  Unique         2.00, 3.53 A)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 888, 889, 890,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  25-2:1427     0 AMB  25-1:1427   2.80    (#   1427:25  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1829,1830,1829,1830,
 igr2=1832,1833,1832,1833,
 &end
#
#  118 LYS  HA          118 LYS  HG-         3.50    (#   1429:25  Unique         2.03, 2.65 A)
 &rst
  ixpk= 1429, nxpk= 25, iat=1827,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1832,1833,
 &end
#
#    0 AMB  25-2:1430   118 LYS  HG-         2.80    (#   1430:25  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1829,1830,1829,1830,
 igr2=1832,1833,
 &end
#
#  133 LEU  HA          133 LEU  MDX         4.50    (#   1432:25  Unique         2.61, 4.14 A)
 &rst
  ixpk= 1432, nxpk= 25, iat=2063,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#   31 LEU  MDX          31 LEU  HG          3.50    (#   1433:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1433, nxpk= 25, iat=  -1, 495, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  MDY          31 LEU  HG          2.80    (#   1434:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  -1, 495, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HB-          31 LEU  MDY         3.50    (#   1435:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 492, 493,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HG           31 LEU  MDY         3.50    (#   1436:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1436, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   28 HIS  HB-          31 LEU  MDY         4.50    (#   1437:25  Unique         2.00, 5.12 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 443, 444,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   28 HIS  HB+          31 LEU  MDY         4.50    (#   1438:25  Unique         2.00, 5.12 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 443, 444,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   47 LEU  HG           47 LEU  MDY         2.80    (#   1440:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1440, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   39 LEU  HG           39 LEU  MDY         2.80    (#   1441:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1441, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#  119 LYS  HD-         119 LYS  HG-         2.80    (#   1444:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1857,1858,
 igr2=1854,1855,
 &end
#
#    0 AMB  25-2:1445     0 AMB  25-1:1445   3.50    (#   1445:25  Double Ambig)
 &rst
  ixpk= 1445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  96,  97,  96,  97,
 igr2=  93,  94,  93,  94,
 &end
#
#    0 AMB  25-2:1446     6 ARG  HG-         3.50    (#   1446:25  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  96,  97,  96,  97,
 igr2=  93,  94,
 &end
#
#    0 AMB  25-2:1447   133 LEU  MDX         4.50    (#   1447:25  Single Ambig)
 &rst
  ixpk= 1447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=2100,2101,2100,2101,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#  133 LEU  HB+         133 LEU  MDX         2.80    (#   1448:25  Unique         2.12, 3.22 A)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2065,2066,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#  133 LEU  HB-         133 LEU  MDX         2.80    (#   1449:25  Unique         2.12, 3.22 A)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2065,2066,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#  133 LEU  HG          133 LEU  MDX         2.80    (#   1450:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1450, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#   39 LEU  MDX          31 LEU  HG          3.50    (#   1452:25  Unique         3.58, 5.50 A)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1, 495, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#  124 VAL  HA          142 LEU  MDX         2.80    (#   1453:25  Unique         1.97, 4.20 A)
 &rst
  ixpk= 1453, nxpk= 25, iat=1936,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:1454   142 LEU  MDX         4.50    (#   1454:25  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1896,1897,1838,1839,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  122 PHE  HB-         142 LEU  MDX         4.50    (#   1455:25  Unique         2.53, 4.84 A)
 &rst
  ixpk= 1455, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1896,1897,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:1456   142 LEU  MDX         4.50    (#   1456:25  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1808,1809,1808,1809,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  HG          142 LEU  MDX         2.80    (#   1457:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1457, nxpk= 25, iat=2217,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  140 LEU  HB-         142 LEU  MDX         2.80    (#   1458:25  Unique         2.58, 4.80 A)
 &rst
  ixpk= 1458, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2181,2182,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  124 VAL  MGY         142 LEU  MDX         2.80    (#   1459:25  Unique         2.00, 4.77 A)
 &rst
  ixpk= 1459, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   17 VAL  HA           47 LEU  MDY         4.50    (#   1461:25  Unique         1.99, 3.87 A)
 &rst
  ixpk= 1461, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   47 LEU  HA           47 LEU  MDY         3.50    (#   1462:25  Unique         2.01, 3.68 A)
 &rst
  ixpk= 1462, nxpk= 25, iat= 755,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  25-2:1463    47 LEU  MDY         5.50    (#   1463:25  Single Ambig)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 257, 258,1189,1190,1191,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   47 LEU  HB-          47 LEU  MDY         3.50    (#   1464:25  Unique         2.34, 3.29 A)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 757, 758,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  25-2:1465    47 LEU  MDY         5.50    (#   1465:25  Single Ambig)
 &rst
  ixpk= 1465, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   52 LEU  MDX          47 LEU  MDY         3.50    (#   1466:25  Unique         2.00, 5.40 A)
 &rst
  ixpk= 1466, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   43 VAL  MGY          47 LEU  MDY         3.50    (#   1467:25  Unique         2.02, 5.42 A)
 &rst
  ixpk= 1467, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   39 LEU  HB-          39 LEU  MDY         2.80    (#   1468:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 621, 622,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:1469    39 LEU  MDY         3.50    (#   1469:25  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 619, 566,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   39 LEU  HB+          39 LEU  MDY         2.80    (#   1470:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 1470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 621, 622,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#  119 LYS  HG-         119 LYS  HD-         2.80    (#   1473:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1854,1855,
 igr2=1857,1858,
 &end
#
#    0 AMB  25-2:1474     0 AMB  25-1:1474   3.50    (#   1474:25  Double Ambig)
 &rst
  ixpk= 1474, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1851,1852,1851,1852,
 igr2=1854,1855,1854,1855,
 &end
#
#  119 LYS  HD-         119 LYS  HG+         2.80    (#   1475:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 1475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1857,1858,
 igr2=1854,1855,
 &end
#
#    0 AMB  25-2:1476   119 LYS  HG-         2.80    (#   1476:25  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1851,1852,1851,1852,
 igr2=1854,1855,
 &end
#
#   73 MET  HB+         102 LEU  MDX         2.80    (#   1478:25  Unique         2.04, 4.33 A)
 &rst
  ixpk= 1478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1160,1161,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  102 LEU  HB+         102 LEU  MDX         2.80    (#   1479:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 1479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1586,1587,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#   73 MET  HB-         102 LEU  MDX         2.80    (#   1480:25  Unique         2.04, 4.33 A)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1160,1161,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:1481   102 LEU  MDX         3.50    (#   1481:25  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1584,1605,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:1482   102 LEU  MDX         2.80    (#   1482:25  Single Ambig)
 &rst
  ixpk= 1482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1589,1490,1491,1492,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#   99 ALA  MB          102 LEU  MDX         2.80    (#   1483:25  Unique         2.80, 5.27 A)
 &rst
  ixpk= 1483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1547,1548,1549,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:1484   102 LEU  MDX         4.50    (#   1484:25  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#   42 LEU  HA           42 LEU  MDX         3.50    (#   1485:25  Unique         3.53, 4.70 A)
 &rst
  ixpk= 1485, nxpk= 25, iat= 665,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#   39 LEU  HA           42 LEU  MDX         3.50    (#   1486:25  Unique         2.00, 3.88 A)
 &rst
  ixpk= 1486, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#   42 LEU  HB+          42 LEU  MDX         2.80    (#   1487:25  Unique         2.01, 3.23 A)
 &rst
  ixpk= 1487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 667, 668,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#    0 AMB  25-2:1488    42 LEU  MDX         2.80    (#   1488:25  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 667, 668, 670,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#   96 LEU  HA           96 LEU  MDX         3.50    (#   1490:25  Unique         1.94, 3.72 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   96 LEU  HG           96 LEU  MDX         2.80    (#   1491:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#    0 AMB  25-2:1493     0 AMB  25-1:1493   3.50    (#   1493:25  Double Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 igr2=1854,1855,1854,1855,
 &end
#
#    0 AMB  25-2:1494     0 AMB  25-1:1494   2.80    (#   1494:25  Double Ambig)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1916,1917,1916,1917,
 igr2=1919,1920,1919,1920,
 &end
#
#  123 LYS  HD-         123 LYS  HG+         2.80    (#   1495:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1922,1923,
 igr2=1919,1920,
 &end
#
#  135 LYS  HB+         135 LYS  HG+         4.50    (#   1496:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2091,2092,
 igr2=2094,2095,
 &end
#
#    0 AMB  25-2:1497     0 AMB  25-1:1497   4.50    (#   1497:25  Double Ambig)
 &rst
  ixpk= 1497, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=2100,2101,2100,2101,
 igr2=2094,2095,2094,2095,
 &end
#
#   52 LEU  HA           52 LEU  MDX         3.50    (#   1499:25  Unique         3.86, 4.74 A)
 &rst
  ixpk= 1499, nxpk= 25, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#    0 AMB  25-2:1500     0 AMB  25-1:1500   2.80    (#   1500:25  Double Ambig)
 &rst
  ixpk= 1500, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1070,1071,1586,1587,
 igr2= 834, 835, 836, 838, 839, 840,1094,1095,1096,1098,
      1099,1100,
 &end
#
#    0 AMB  25-2:1501    52 LEU  MDX         2.80    (#   1501:25  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   93 GLU  HA           96 LEU  MDX         3.50    (#   1503:25  Unique         3.15, 5.21 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   96 LEU  HB+          96 LEU  MDX         2.80    (#   1504:25  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1500,1501,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   96 LEU  HB-          96 LEU  MDX         3.50    (#   1505:25  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1500,1501,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   92 VAL  MGY          96 LEU  MDX         4.50    (#   1506:25  Unique         2.00, 5.70 A)
 &rst
  ixpk= 1506, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1444,1445,1446,1448,1449,1450,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   89 ARG  HA           92 VAL  MGX         3.50    (#   1509:25  Unique         2.84, 4.23 A)
 &rst
  ixpk= 1509, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#   88 GLY  HA+          92 VAL  MGX         4.50    (#   1510:25  Unique         4.22, 6.60 A)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1374,1375,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:1511    92 VAL  MGX         2.80    (#   1511:25  Single Ambig)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1423,1424,1386,1387,1490,1491,1492,1199,1200,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:1513    92 VAL  MGX         2.80    (#   1513:25  Single Ambig)
 &rst
  ixpk= 1513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1204,1205,1206,1208,1209,1210,1875,1876,1877,1879,
      1880,1881,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#   73 MET  HA           68 LEU  MDX         3.50    (#   1514:25  Unique         1.98, 4.58 A)
 &rst
  ixpk= 1514, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   73 MET  HG-          68 LEU  MDX         4.50    (#   1515:25  Unique         2.95, 6.04 A)
 &rst
  ixpk= 1515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1163,1164,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   73 MET  HB+          68 LEU  MDX         3.50    (#   1516:25  Unique         2.59, 5.61 A)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1160,1161,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:1517    68 LEU  MDX         2.80    (#   1517:25  Single Ambig)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1089,1090,1586,1587,1530,1531,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:1518    68 LEU  MDX         2.80    (#   1518:25  Single Ambig)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1490,1491,1492,1092,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:1519    68 LEU  MDX         2.80    (#   1519:25  Single Ambig)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1537,1538,1539,1547,1548,1549,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   95 ALA  HA           68 LEU  MDX         4.50    (#   1520:25  Unique         1.97, 3.89 A)
 &rst
  ixpk= 1520, nxpk= 25, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   92 VAL  HA           92 VAL  MGX         2.80    (#   1523:25  Unique         2.57, 3.11 A)
 &rst
  ixpk= 1523, nxpk= 25, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#   92 VAL  HB           92 VAL  MGX         2.80    (#   1524:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 1524, nxpk= 25, iat=1442,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:1525    92 VAL  MGX         2.80    (#   1525:25  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1167,1168,1169,1423,1424,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#  108 GLU  HA          114 VAL  MGX         2.80    (#   1526:25  Unique         2.83, 4.52 A)
 &rst
  ixpk= 1526, nxpk= 25, iat=1675,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  111 GLU  HG-         114 VAL  MGX         4.50    (#   1527:25  Unique         3.51, 6.29 A)
 &rst
  ixpk= 1527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1726,1727,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  118 LYS  HD-         114 VAL  MGX         3.50    (#   1528:25  Unique         3.38, 5.60 A)
 &rst
  ixpk= 1528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1835,1836,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  111 GLU  HA          114 VAL  MGX         2.80    (#   1529:25  Unique         2.00, 3.95 A)
 &rst
  ixpk= 1529, nxpk= 25, iat=1721,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  114 VAL  HA          114 VAL  MGX         2.80    (#   1530:25  Unique         2.34, 3.11 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  113 ALA  MB          114 VAL  MGX         3.50    (#   1531:25  Unique         3.45, 6.43 A)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1755,1756,1757,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#   47 LEU  HA           47 LEU  MDX         3.50    (#   1532:25  Unique         2.01, 3.68 A)
 &rst
  ixpk= 1532, nxpk= 25, iat= 755,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  25-2:1533    47 LEU  MDX         4.50    (#   1533:25  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 257, 258,1189,1190,1191,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   47 LEU  HG           47 LEU  MDX         2.80    (#   1534:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1534, nxpk= 25, iat= 760,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   17 VAL  MGX          47 LEU  MDX         4.50    (#   1535:25  Unique         2.25, 5.76 A)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  25-2:1536    47 LEU  MDX         2.80    (#   1536:25  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   17 VAL  HA           47 LEU  MDX         3.50    (#   1538:25  Unique         1.99, 3.87 A)
 &rst
  ixpk= 1538, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   47 LEU  HB-          47 LEU  MDX         3.50    (#   1539:25  Unique         2.34, 3.29 A)
 &rst
  ixpk= 1539, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 757, 758,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   75 ALA  HA           75 ALA  MB          2.80    (#   1540:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 1540, nxpk= 25, iat=1187,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1189,1190,1191,
 &end
#
#   74 ASP  HB+          75 ALA  MB          3.50    (#   1541:25  Unique         3.45, 4.89 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1177,1178,
 igr2=1189,1190,1191,
 &end
#
#    0 AMB  25-2:1542    75 ALA  MB          4.50    (#   1542:25  Single Ambig)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1177,1178,1218,1219,
 igr2=1189,1190,1191,
 &end
#
#   67 LEU  HB+          75 ALA  MB          2.80    (#   1543:25  Unique         3.06, 4.39 A)
 &rst
  ixpk= 1543, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1070,1071,
 igr2=1189,1190,1191,
 &end
#
#    0 AMB  25-2:1544    75 ALA  MB          3.50    (#   1544:25  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2=1189,1190,1191,
 &end
#
#   67 LEU  HB-          75 ALA  MB          2.80    (#   1545:25  Unique         3.06, 4.39 A)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1070,1071,
 igr2=1189,1190,1191,
 &end
#
#    0 AMB  25-2:1546    17 VAL  MGX         2.80    (#   1546:25  Single Ambig)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-2:1547     0 AMB  25-1:1547   3.50    (#   1547:25  Double Ambig)
 &rst
  ixpk= 1547, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 665,2154,
 igr2= 672, 673, 674, 676, 677, 678,2167,2168,2169,2171,
      2172,2173,2167,2168,2169,2171,2172,2173,
 &end
#
#  107 ASN  HA            0 AMB  25-1:1548   2.80    (#   1548:25  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 25, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#  106 VAL  HA            0 AMB  25-1:1549   3.50    (#   1549:25  Single Ambig)
 &rst
  ixpk= 1549, nxpk= 25, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  25-2:1550     0 AMB  25-1:1550   5.50    (#   1550:25  Double Ambig)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1633,1634,1633,1634,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#  105 ASN  HB-           0 AMB  25-1:1551   5.50    (#   1551:25  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1633,1634,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  25-2:1552     0 AMB  25-1:1552   2.80    (#   1552:25  Double Ambig)
 &rst
  ixpk= 1552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
 igr1= 670,2162,2163,2162,2163,
 igr2= 672, 673, 674, 676, 677, 678,2167,2168,2169,2171,
      2172,2173,2167,2168,2169,2171,2172,2173,
 &end
#
#   52 LEU  HA           67 LEU  MDX         4.50    (#   1553:25  Unique         2.56, 4.99 A)
 &rst
  ixpk= 1553, nxpk= 25, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#    0 AMB  25-2:1554    67 LEU  MDX         4.50    (#   1554:25  Single Ambig)
 &rst
  ixpk= 1554, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 812, 813, 755,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   51 PRO  HD-          67 LEU  MDX         3.50    (#   1555:25  Unique         3.44, 5.57 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 812, 813,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   67 LEU  HG           67 LEU  MDX         2.80    (#   1556:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1556, nxpk= 25, iat=1073,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   52 LEU  MDX          67 LEU  MDX         2.80    (#   1557:25  Unique         2.88, 5.99 A)
 &rst
  ixpk= 1557, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   14 GLU  HA           17 VAL  MGX         2.80    (#   1558:25  Unique         2.94, 4.49 A)
 &rst
  ixpk= 1558, nxpk= 25, iat= 225,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   45 SER  HB-          42 LEU  MDY         4.50    (#   1559:25  Unique         5.22, 7.61 A)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 726, 727,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#   44 ARG  HA           17 VAL  MGX         2.80    (#   1560:25  Unique         1.99, 3.38 A)
 &rst
  ixpk= 1560, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-2:1561    17 VAL  MGX         2.80    (#   1561:25  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 274, 773, 774,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-2:1562     0 AMB  25-1:1562   2.80    (#   1562:25  Double Ambig)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2065,2066, 276,
 igr2=2070,2071,2072,2074,2075,2076, 278, 279, 280, 282,
       283, 284,
 &end
#
#   48 PRO  HG-          17 VAL  MGX         2.80    (#   1563:25  Unique         3.17, 5.62 A)
 &rst
  ixpk= 1563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 776, 777,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   47 LEU  HB+          17 VAL  MGX         2.80    (#   1564:25  Unique         2.25, 4.50 A)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 757, 758,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   43 VAL  MGY           0 AMB  25-1:1565   3.50    (#   1565:25  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 672, 673, 674, 676, 677, 678, 278, 279, 280, 282,
       283, 284,
 &end
#
#   21 CYS  HB+          17 VAL  MGX         3.50    (#   1566:25  Unique         3.52, 6.40 A)
 &rst
  ixpk= 1566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 345, 346,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#  100 PRO  HA           96 LEU  MDY         3.50    (#   1567:25  Unique         2.57, 4.65 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   96 LEU  HA           96 LEU  MDY         2.80    (#   1568:25  Unique         1.94, 3.72 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#  144 TYR  HB+          96 LEU  MDY         4.50    (#   1569:25  Unique         2.50, 4.85 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2243,2244,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#    0 AMB  25-2:1570    96 LEU  MDY         3.50    (#   1570:25  Single Ambig)
 &rst
  ixpk= 1570, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
 igr1=1586,1587,1560,1561,1167,1168,1169,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   96 LEU  HB+          96 LEU  MDY         2.80    (#   1571:25  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1500,1501,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   96 LEU  HG           96 LEU  MDY         2.80    (#   1572:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1572, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   96 LEU  HB-          96 LEU  MDY         3.50    (#   1573:25  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1500,1501,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#  102 LEU  MDY          96 LEU  MDY         3.50    (#   1574:25  Unique         2.00, 5.52 A)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#    0 AMB  25-2:1575   143 ALA  MB          3.50    (#   1575:25  Single Ambig)
 &rst
  ixpk= 1575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1916,1917,1916,1917,
 igr2=2233,2234,2235,
 &end
#
#  125 THR  MG2         143 ALA  MB          2.80    (#   1576:25  Unique         3.02, 4.35 A)
 &rst
  ixpk= 1576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1956,1957,1958,
 igr2=2233,2234,2235,
 &end
#
#    0 AMB  25-2:1577   143 ALA  MB          4.50    (#   1577:25  Single Ambig)
 &rst
  ixpk= 1577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 igr2=2233,2234,2235,
 &end
#
#   67 LEU  HB-          67 LEU  MDX         2.80    (#   1578:25  Unique         2.23, 3.31 A)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1070,1071,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   62 PRO  HA           54 VAL  MGY         3.50    (#   1579:25  Unique         3.38, 5.22 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    8 SER  HB+          54 VAL  MGY         4.50    (#   1580:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 138, 139,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    8 SER  HB-          54 VAL  MGY         4.50    (#   1581:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 1581, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 138, 139,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   65 PHE  HB+          54 VAL  MGY         3.50    (#   1582:25  Unique         3.06, 5.37 A)
 &rst
  ixpk= 1582, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1033,1034,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:1583    54 VAL  MGY         3.50    (#   1583:25  Single Ambig)
 &rst
  ixpk= 1583, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1033,1034, 848, 849,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HB           54 VAL  MGY         2.80    (#   1584:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1584, nxpk= 25, iat= 872,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:1585    54 VAL  MGY         3.50    (#   1585:25  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 996, 997, 260, 114, 115,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    6 ARG  HG+          54 VAL  MGY         3.50    (#   1586:25  Unique         2.00, 4.39 A)
 &rst
  ixpk= 1586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  93,  94,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:1587    54 VAL  MGY         2.80    (#   1587:25  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#  133 LEU  HA          133 LEU  MDY         2.80    (#   1588:25  Unique         2.61, 4.14 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=2063,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#  133 LEU  HG          133 LEU  MDY         2.80    (#   1589:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1589, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#   85 CYS  HB-          87 VAL  MGX         4.50    (#   1591:25  Unique         2.34, 5.32 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1342,1343,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  25-2:1592    87 VAL  MGX         4.50    (#   1592:25  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1010,1257,1258,  11,  12,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   82 VAL  HB           87 VAL  MGX         3.50    (#   1593:25  Unique         1.99, 3.81 A)
 &rst
  ixpk= 1593, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   87 VAL  HB           87 VAL  MGX         2.80    (#   1594:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1594, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   39 LEU  HA           39 LEU  MDX         2.80    (#   1595:25  Unique         2.05, 3.87 A)
 &rst
  ixpk= 1595, nxpk= 25, iat= 619,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   39 LEU  HG           39 LEU  MDX         2.80    (#   1596:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1596, nxpk= 25, iat= 624,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   78 ILE  HG1-         91 LEU  MDX         2.80    (#   1597:25  Unique         2.10, 4.69 A)
 &rst
  ixpk= 1597, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1244,1245,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  25-2:1599    16 LEU  MDX         5.50    (#   1599:25  Single Ambig)
 &rst
  ixpk= 1599, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 138, 139, 218, 219,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   16 LEU  HA           16 LEU  MDX         2.80    (#   1600:25  Unique         2.41, 3.94 A)
 &rst
  ixpk= 1600, nxpk= 25, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   65 PHE  HB-          16 LEU  MDX         4.50    (#   1601:25  Unique         2.85, 4.36 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1033,1034,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   19 ILE  HB           16 LEU  MDX         4.50    (#   1602:25  Unique         5.02, 6.58 A)
 &rst
  ixpk= 1602, nxpk= 25, iat= 302,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#    0 AMB  25-2:1603    16 LEU  MDX         2.80    (#   1603:25  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 999,1000, 996, 997,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#    0 AMB  25-2:1604    16 LEU  MDX         2.80    (#   1604:25  Single Ambig)
 &rst
  ixpk= 1604, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 260, 999,1000,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#  106 VAL  HA          106 VAL  MGY         2.80    (#   1605:25  Unique         2.36, 3.45 A)
 &rst
  ixpk= 1605, nxpk= 25, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  25-2:1606   106 VAL  MGY         4.50    (#   1606:25  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1709,1710,1675,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  114 VAL  HA          106 VAL  MGY         4.50    (#   1607:25  Unique         2.47, 3.98 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  106 VAL  HB          106 VAL  MGY         2.80    (#   1608:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1608, nxpk= 25, iat=1647,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  142 LEU  MDY         106 VAL  MGY         4.50    (#   1609:25  Unique         2.11, 4.89 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  25-2:1610    90 VAL  MGX         4.50    (#   1610:25  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1421,1381,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#   90 VAL  HA           90 VAL  MGX         2.80    (#   1611:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 1611, nxpk= 25, iat=1405,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#   87 VAL  HA           90 VAL  MGX         2.80    (#   1612:25  Unique         2.00, 3.67 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=1358,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#   90 VAL  HB           90 VAL  MGX         2.80    (#   1613:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=1407,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#    3 ILE  HB           90 VAL  MGX         2.80    (#   1614:25  Unique         2.72, 4.15 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=  41,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#    0 AMB  25-2:1615    90 VAL  MGX         2.80    (#   1615:25  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1362,1363,1364,1366,1367,1368,  50,  51,  52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#    5 ILE  MD1          90 VAL  MGX         3.50    (#   1616:25  Unique         2.56, 5.64 A)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  80,  81,  82,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#   91 LEU  HA           91 LEU  MDX         2.80    (#   1617:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 1617, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  25-2:1619    91 LEU  MDX         5.50    (#   1619:25  Single Ambig)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1473,1474, 848, 849,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   66 MET  HG+          91 LEU  MDX         5.50    (#   1620:25  Unique         3.22, 5.29 A)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1056,1057,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   66 MET  HG-          91 LEU  MDX         5.50    (#   1621:25  Unique         3.22, 5.29 A)
 &rst
  ixpk= 1621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1056,1057,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   66 MET  HB-          91 LEU  MDX         2.80    (#   1622:25  Unique         2.00, 3.77 A)
 &rst
  ixpk= 1622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1053,1054,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   91 LEU  HB-          91 LEU  MDX         2.80    (#   1624:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1423,1424,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   91 LEU  HG           91 LEU  MDX         2.80    (#   1625:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1625, nxpk= 25, iat=1426,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#  110 ASN  HB-         106 VAL  MGY         3.50    (#   1627:25  Unique         3.73, 6.42 A)
 &rst
  ixpk= 1627, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1709,1710,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  25-2:1628     0 AMB  25-1:1628   2.80    (#   1628:25  Double Ambig)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2181,2182,1916,1917,
 igr2=1940,1941,1942,1944,1945,1946,1956,1957,1958,
 &end
#
#    0 AMB  25-2:1629   125 THR  MG2         2.80    (#   1629:25  Single Ambig)
 &rst
  ixpk= 1629, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=1919,1920,2233,2234,2235,
 igr2=1956,1957,1958,
 &end
#
#  140 LEU  HA          124 VAL  MGX         4.50    (#   1630:25  Unique         4.12, 5.77 A)
 &rst
  ixpk= 1630, nxpk= 25, iat=2179,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  125 THR  HA          125 THR  MG2         2.80    (#   1631:25  Unique         2.50, 3.23 A)
 &rst
  ixpk= 1631, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1956,1957,1958,
 &end
#
#  125 THR  HB          125 THR  MG2         2.80    (#   1632:25  Unique         2.30, 2.64 A)
 &rst
  ixpk= 1632, nxpk= 25, iat=1954,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1956,1957,1958,
 &end
#
#    0 AMB  25-2:1633     0 AMB  25-1:1633   4.50    (#   1633:25  Double Ambig)
 &rst
  ixpk= 1633, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1966,1967,1966,1967,
 igr2=1940,1941,1942,1944,1945,1946,1956,1957,1958,
 &end
#
#    0 AMB  25-2:1634     0 AMB  25-1:1634   3.50    (#   1634:25  Double Ambig)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1=1925,1926,1981,1982,2200,2201,
 igr2=1956,1957,1958,1940,1941,1942,1944,1945,1946,
 &end
#
#  124 VAL  HB          124 VAL  MGX         2.80    (#   1635:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1635, nxpk= 25, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  142 LEU  MDX         124 VAL  MGX         3.50    (#   1636:25  Unique         2.00, 4.77 A)
 &rst
  ixpk= 1636, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  106 VAL  HB          106 VAL  MGX         2.80    (#   1637:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1637, nxpk= 25, iat=1647,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  142 LEU  MDY         106 VAL  MGX         2.80    (#   1638:25  Unique         2.11, 4.89 A)
 &rst
  ixpk= 1638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#   78 ILE  HB           87 VAL  MGY         4.50    (#   1639:25  Unique         4.27, 5.76 A)
 &rst
  ixpk= 1639, nxpk= 25, iat=1238,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   64 GLY  HA+          87 VAL  MGY         4.50    (#   1640:25  Unique         4.03, 6.74 A)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1024,1025,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   64 GLY  HA-          87 VAL  MGY         4.50    (#   1641:25  Unique         4.03, 6.74 A)
 &rst
  ixpk= 1641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1024,1025,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   87 VAL  HA           87 VAL  MGY         2.80    (#   1642:25  Unique         2.41, 3.11 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=1358,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   87 VAL  HB           87 VAL  MGY         2.80    (#   1643:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1643, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  25-2:1644    87 VAL  MGY         2.80    (#   1644:25  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1012,1013,1014,1016,1017,1018,1297,1298,1299,1301,
      1302,1303,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#  144 TYR  HB-         103 THR  MG2         5.50    (#   1645:25  Unique         5.27, 6.46 A)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2243,2244,
 igr2=1607,1608,1609,
 &end
#
#   37 THR  HB           37 THR  MG2         2.80    (#   1646:25  Unique         2.38, 2.64 A)
 &rst
  ixpk= 1646, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 594, 595, 596,
 &end
#
#   38 GLU  HB+          37 THR  MG2         4.50    (#   1647:25  Unique         4.26, 5.80 A)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 606, 607,
 igr2= 594, 595, 596,
 &end
#
#  140 LEU  HA          124 VAL  MGY         5.50    (#   1648:25  Unique         4.12, 5.77 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=2179,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  124 VAL  HA          124 VAL  MGY         2.80    (#   1649:25  Unique         2.30, 3.11 A)
 &rst
  ixpk= 1649, nxpk= 25, iat=1936,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  118 LYS  HE+         124 VAL  MGY         4.50    (#   1650:25  Unique         1.99, 4.28 A)
 &rst
  ixpk= 1650, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1838,1839,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  124 VAL  HB          124 VAL  MGY         2.80    (#   1651:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1651, nxpk= 25, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  140 LEU  HB+         124 VAL  MGY         2.80    (#   1652:25  Unique         2.14, 4.32 A)
 &rst
  ixpk= 1652, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2181,2182,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#    0 AMB  25-2:1653   124 VAL  MGY         2.80    (#   1653:25  Single Ambig)
 &rst
  ixpk= 1653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2181,2182,1978,1979,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  142 LEU  MDX         124 VAL  MGY         2.80    (#   1654:25  Unique         2.00, 4.77 A)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  113 ALA  MB          106 VAL  MGX         2.80    (#   1655:25  Unique         1.96, 4.36 A)
 &rst
  ixpk= 1655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1755,1756,1757,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#   31 LEU  HA           31 LEU  MDX         2.80    (#   1656:25  Unique         2.16, 3.98 A)
 &rst
  ixpk= 1656, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:1657    31 LEU  MDX         3.50    (#   1657:25  Single Ambig)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1692,1693, 492, 493,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HB-          31 LEU  MDX         3.50    (#   1658:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 1658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 492, 493,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HG           31 LEU  MDX         2.80    (#   1659:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1659, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  103 THR  HB          103 THR  MG2         2.80    (#   1661:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 1661, nxpk= 25, iat=1605,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1607,1608,1609,
 &end
#
#    0 AMB  25-2:1662    37 THR  MG2         2.80    (#   1662:25  Single Ambig)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 590, 604,
 igr2= 594, 595, 596,
 &end
#
#    0 AMB  25-2:1663    37 THR  MG2         4.50    (#   1663:25  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 643, 644, 643, 644, 568, 569,
 igr2= 594, 595, 596,
 &end
#
#  140 LEU  HA          140 LEU  MDY         2.80    (#   1665:25  Unique         2.02, 3.94 A)
 &rst
  ixpk= 1665, nxpk= 25, iat=2179,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2186,2187,2188,2190,2191,2192,
 &end
#
#    0 AMB  25-2:1666   140 LEU  MDY         2.80    (#   1666:25  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1975,1976,1677,1678,
 igr2=2186,2187,2188,2190,2191,2192,
 &end
#
#    0 AMB  25-2:1667     0 AMB  25-1:1667   2.80    (#   1667:25  Double Ambig)
 &rst
  ixpk= 1667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=2184,1500,1501,
 igr2=2186,2187,2188,2190,2191,2192,1444,1445,1446,1448,
      1449,1450,
 &end
#
#   53 TRP  HA           54 VAL  MGX         4.50    (#   1668:25  Unique         3.27, 4.78 A)
 &rst
  ixpk= 1668, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   62 PRO  HA           54 VAL  MGX         5.50    (#   1669:25  Unique         3.38, 5.22 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    8 SER  HB-          54 VAL  MGX         3.50    (#   1670:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 138, 139,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:1671    54 VAL  MGX         4.50    (#   1671:25  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1033,1034, 848, 849,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HB           54 VAL  MGX         2.80    (#   1672:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1672, nxpk= 25, iat= 872,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:1674    43 VAL  MGX         4.50    (#   1674:25  Single Ambig)
 &rst
  ixpk= 1674, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 760, 621, 622,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   27 THR  HB           27 THR  MG2         2.80    (#   1676:25  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1676, nxpk= 25, iat= 429,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 431, 432, 433,
 &end
#
#    0 AMB  25-2:1677    27 THR  MG2         3.50    (#   1677:25  Single Ambig)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1738,1739,1738,1739,
 igr2= 431, 432, 433,
 &end
#
#   26 ALA  MB           27 THR  MG2         2.80    (#   1678:25  Unique         2.27, 4.48 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 419, 420, 421,
 igr2= 431, 432, 433,
 &end
#
#   63 VAL  HA           63 VAL  MGY         2.80    (#   1680:25  Unique         2.22, 3.46 A)
 &rst
  ixpk= 1680, nxpk= 25, iat=1008,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   57 ASN  HB-          63 VAL  MGY         2.80    (#   1681:25  Unique         3.18, 5.22 A)
 &rst
  ixpk= 1681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 914, 915,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:1682    63 VAL  MGY         2.80    (#   1682:25  Single Ambig)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1010,1257,1258,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:1684     0 AMB  25-1:1684   2.80    (#   1684:25  Double Ambig)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1381,1421,
 igr2=1444,1445,1446,1448,1449,1450,1409,1410,1411,1413,
      1414,1415,
 &end
#
#   92 VAL  HA           92 VAL  MGY         2.80    (#   1685:25  Unique         2.57, 3.11 A)
 &rst
  ixpk= 1685, nxpk= 25, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#   92 VAL  HB           92 VAL  MGY         2.80    (#   1686:25  Unique         2.31, 2.63 A)
 &rst
  ixpk= 1686, nxpk= 25, iat=1442,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:1688    92 VAL  MGY         2.80    (#   1688:25  Single Ambig)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#   90 VAL  HA           90 VAL  MGY         2.80    (#   1689:25  Unique         2.32, 3.11 A)
 &rst
  ixpk= 1689, nxpk= 25, iat=1405,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#    0 AMB  25-2:1690     0 AMB  25-1:1690   2.80    (#   1690:25  Double Ambig)
 &rst
  ixpk= 1690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=  15,  16,  17, 928, 929, 928, 929,1407,
 igr2=1297,1298,1299,1301,1302,1303,  27,  28,  29,  31,
        32,  33,1409,1410,1411,1413,1414,1415,
 &end
#
#    0 AMB  25-2:1691     0 AMB  25-1:1691   2.80    (#   1691:25  Double Ambig)
 &rst
  ixpk= 1691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=  80,  81,  82,1247,1248,1249,
 igr2=1409,1410,1411,1413,1414,1415,1444,1445,1446,1448,
      1449,1450,
 &end
#
#   82 VAL  HA           82 VAL  MGX         2.80    (#   1692:25  Unique         2.14, 3.42 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1693    82 VAL  MGX         2.80    (#   1693:25  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1257,1258,1010,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   82 VAL  HB           82 VAL  MGX         2.80    (#   1694:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1694, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1696     0 AMB  25-1:1696   2.80    (#   1696:25  Double Ambig)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 225,1779,1780,
 igr2= 278, 279, 280, 282, 283, 284,1767,1768,1769,1771,
      1772,1773,
 &end
#
#    0 AMB  25-2:1697     0 AMB  25-1:1697   3.50    (#   1697:25  Double Ambig)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 700,1675,
 igr2= 278, 279, 280, 282, 283, 284,1767,1768,1769,1771,
      1772,1773,
 &end
#
#    0 AMB  25-2:1698     0 AMB  25-1:1698   2.80    (#   1698:25  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1763, 274, 773, 774,
 igr2=1767,1768,1769,1771,1772,1773, 278, 279, 280, 282,
       283, 284,
 &end
#
#    0 AMB  25-2:1699     0 AMB  25-1:1699   5.50    (#   1699:25  Double Ambig)
 &rst
  ixpk= 1699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1= 708, 709, 708, 709,1342,1343,
 igr2= 278, 279, 280, 282, 283, 284,1297,1298,1299,1301,
      1302,1303,
 &end
#
#   79 ASP  HB+          82 VAL  MGX         3.50    (#   1700:25  Unique         2.32, 4.88 A)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1257,1258,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#  114 VAL  HB          114 VAL  MGY         2.80    (#   1701:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1701, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#    0 AMB  25-2:1702     0 AMB  25-1:1702   2.80    (#   1702:25  Double Ambig)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 702, 703, 257, 258,1835,1836,
 igr2= 278, 279, 280, 282, 283, 284,1767,1768,1769,1771,
      1772,1773,
 &end
#
#    0 AMB  25-2:1703    17 VAL  MGY         2.80    (#   1703:25  Single Ambig)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 705, 706, 705, 706,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#    0 AMB  25-2:1705   145 VAL  MGY         2.80    (#   1705:25  Single Ambig)
 &rst
  ixpk= 1705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1916,1917,1916,1917,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#    0 AMB  25-2:1706     0 AMB  25-1:1706   2.80    (#   1706:25  Double Ambig)
 &rst
  ixpk= 1706, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=  93,  94,1919,1920,
 igr2= 874, 875, 876, 878, 879, 880,2266,2267,2268,2270,
      2271,2272,
 &end
#
#    0 AMB  25-2:1707     0 AMB  25-1:1707   2.80    (#   1707:25  Double Ambig)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=  93,  94,2287,2288,2289,
 igr2= 874, 875, 876, 878, 879, 880,2266,2267,2268,2270,
      2271,2272,
 &end
#
#  120 VAL  HA          120 VAL  MGY         2.80    (#   1708:25  Unique         2.26, 3.11 A)
 &rst
  ixpk= 1708, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#    0 AMB  25-2:1709   120 VAL  MGY         5.50    (#   1709:25  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1389,1390,1389,1390,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  120 VAL  HB          120 VAL  MGY         2.80    (#   1710:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1710, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  130 VAL  HA          130 VAL  MGY         2.80    (#   1711:25  Unique         2.19, 3.33 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=2023,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  136 PRO  HA          130 VAL  MGY         2.80    (#   1712:25  Unique         2.91, 5.13 A)
 &rst
  ixpk= 1712, nxpk= 25, iat=2119,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  134 GLY  HA+         130 VAL  MGY         4.50    (#   1713:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 1713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2082,2083,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  134 GLY  HA-         130 VAL  MGY         4.50    (#   1714:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 1714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2082,2083,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#    0 AMB  25-2:1715   130 VAL  MGY         3.50    (#   1715:25  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2151,2152,2116,2117,2013,2014,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  129 GLU  HB+         130 VAL  MGY         3.50    (#   1716:25  Unique         2.49, 4.48 A)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2010,2011,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  HB          130 VAL  MGY         2.80    (#   1717:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1717, nxpk= 25, iat=2025,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#   62 PRO  HA           56 VAL  MGY         2.80    (#   1718:25  Unique         2.12, 4.43 A)
 &rst
  ixpk= 1718, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   60 ASP  HA           56 VAL  MGY         3.50    (#   1719:25  Unique         2.88, 4.00 A)
 &rst
  ixpk= 1719, nxpk= 25, iat= 965,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  25-2:1720    56 VAL  MGY         4.50    (#   1720:25  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  96,  97,  96,  97,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   56 VAL  HB           56 VAL  MGY         2.80    (#   1721:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1721, nxpk= 25, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    6 ARG  HG+          56 VAL  MGY         3.50    (#   1722:25  Unique         2.61, 4.66 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  93,  94,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    6 ARG  HG-          56 VAL  MGY         3.50    (#   1723:25  Unique         2.61, 4.66 A)
 &rst
  ixpk= 1723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  93,  94,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  25-2:1724    56 VAL  MGY         3.50    (#   1724:25  Single Ambig)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 874, 875, 876, 878, 879, 880,1012,1013,1014,1016,
      1017,1018,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  25-2:1725    56 VAL  MGY         5.50    (#   1725:25  Single Ambig)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 967, 968, 982, 983, 982, 983,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  25-2:1726    43 VAL  MGX         5.50    (#   1726:25  Single Ambig)
 &rst
  ixpk= 1726, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
 igr1= 672, 673, 674, 676, 677, 678, 278, 279, 280, 282,
       283, 284, 278, 279, 280, 282, 283, 284,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:1727    43 VAL  MGX         2.80    (#   1727:25  Single Ambig)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   20 TRP  HB+          43 VAL  MGX         3.50    (#   1729:25  Unique         3.16, 4.89 A)
 &rst
  ixpk= 1729, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 321, 322,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:1730    43 VAL  MGX         2.80    (#   1730:25  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 684, 638,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:1731    43 VAL  MGX         5.50    (#   1731:25  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 643, 644, 640, 641, 640, 641,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   39 LEU  HB+          43 VAL  MGX         4.50    (#   1732:25  Unique         2.88, 5.82 A)
 &rst
  ixpk= 1732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 621, 622,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   42 LEU  HG           43 VAL  MGX         3.50    (#   1733:25  Unique         2.20, 4.40 A)
 &rst
  ixpk= 1733, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   43 VAL  HB           43 VAL  MGX         2.80    (#   1734:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1734, nxpk= 25, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    2 VAL  HA            2 VAL  MGX         2.80    (#   1736:25  Unique         2.23, 3.17 A)
 &rst
  ixpk= 1736, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#    2 VAL  HB            2 VAL  MGX         2.80    (#   1737:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1737, nxpk= 25, iat=  25,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#   58 GLU  HA            2 VAL  MGY         3.50    (#   1738:25  Unique         2.14, 4.79 A)
 &rst
  ixpk= 1738, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#    0 AMB  25-2:1739   145 VAL  MGY         2.80    (#   1739:25  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2262,2285,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  123 LYS  HE-         145 VAL  MGY         4.50    (#   1740:25  Unique         4.90, 6.52 A)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1925,1926,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  145 VAL  HB          145 VAL  MGY         2.80    (#   1741:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1741, nxpk= 25, iat=2264,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  123 LYS  HD-         145 VAL  MGY         2.80    (#   1742:25  Unique         2.68, 4.57 A)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1922,1923,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#    0 AMB  25-2:1743    43 VAL  MGY         3.50    (#   1743:25  Single Ambig)
 &rst
  ixpk= 1743, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 700, 755,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:1744    43 VAL  MGY         2.80    (#   1744:25  Single Ambig)
 &rst
  ixpk= 1744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1= 672, 673, 674, 676, 677, 678, 278, 279, 280, 282,
       283, 284, 278, 279, 280, 282, 283, 284,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   91 LEU  HG           55 ALA  MB          2.80    (#   1745:25  Unique         2.00, 2.49 A)
 &rst
  ixpk= 1745, nxpk= 25, iat=1426,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:1746   120 VAL  MGX         3.50    (#   1746:25  Single Ambig)
 &rst
  ixpk= 1746, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1808,1809,1808,1809,1461,1462,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  120 VAL  HA          120 VAL  MGX         2.80    (#   1747:25  Unique         2.26, 3.11 A)
 &rst
  ixpk= 1747, nxpk= 25, iat=1871,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  117 TYR  HA          120 VAL  MGX         2.80    (#   1748:25  Unique         2.27, 4.69 A)
 &rst
  ixpk= 1748, nxpk= 25, iat=1806,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  120 VAL  HB          120 VAL  MGX         2.80    (#   1749:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1749, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#   92 VAL  MGX         120 VAL  MGX         2.80    (#   1750:25  Unique         2.31, 5.03 A)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1444,1445,1446,1448,1449,1450,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#    0 AMB  25-2:1751    43 VAL  MGY         2.80    (#   1751:25  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 684, 638,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   42 LEU  HG           43 VAL  MGY         4.50    (#   1752:25  Unique         2.20, 4.40 A)
 &rst
  ixpk= 1752, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   39 LEU  HB-          43 VAL  MGY         2.80    (#   1753:25  Unique         2.88, 5.82 A)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 621, 622,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   43 VAL  HB           43 VAL  MGY         2.80    (#   1754:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1754, nxpk= 25, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:1755    43 VAL  MGY         2.80    (#   1755:25  Single Ambig)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#  147 ALA  HA          147 ALA  MB          2.80    (#   1757:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=2285,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2287,2288,2289,
 &end
#
#   82 VAL  HA           82 VAL  MGY         2.80    (#   1759:25  Unique         2.14, 3.42 A)
 &rst
  ixpk= 1759, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   79 ASP  HB+          82 VAL  MGY         2.80    (#   1760:25  Unique         2.32, 4.88 A)
 &rst
  ixpk= 1760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1257,1258,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:1761    82 VAL  MGY         2.80    (#   1761:25  Single Ambig)
 &rst
  ixpk= 1761, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1257,1258,1010,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   82 VAL  HB           82 VAL  MGY         2.80    (#   1762:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1762, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   87 VAL  MGY           0 AMB  25-1:1763   2.80    (#   1763:25  Single Ambig)
 &rst
  ixpk= 1763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1362,1363,1364,1366,1367,1368,
 igr2=1297,1298,1299,1301,1302,1303, 888, 889, 890,
 &end
#
#    0 AMB  25-2:1765    24 VAL  MGX         4.50    (#   1765:25  Single Ambig)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 343, 389,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   36 ARG  HD+          24 VAL  MGX         3.50    (#   1766:25  Unique         2.00, 4.68 A)
 &rst
  ixpk= 1766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 574, 575,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   36 ARG  HD-          24 VAL  MGX         3.50    (#   1767:25  Unique         2.00, 4.68 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 574, 575,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   28 HIS  HB+          24 VAL  MGX         4.50    (#   1768:25  Unique         2.00, 4.28 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 443, 444,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   24 VAL  HB           24 VAL  MGX         3.50    (#   1769:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1769, nxpk= 25, iat= 391,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   31 LEU  MDY          24 VAL  MGX         3.50    (#   1770:25  Unique         2.00, 5.06 A)
 &rst
  ixpk= 1770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#  110 ASN  HB+         113 ALA  MB          4.50    (#   1771:25  Unique         2.01, 4.61 A)
 &rst
  ixpk= 1771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1709,1710,
 igr2=1755,1756,1757,
 &end
#
#    0 AMB  25-2:1772   113 ALA  MB          4.50    (#   1772:25  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1738,1739,1738,1739,
 igr2=1755,1756,1757,
 &end
#
#  106 VAL  MGY         113 ALA  MB          2.80    (#   1773:25  Unique         1.96, 4.36 A)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1649,1650,1651,1653,1654,1655,
 igr2=1755,1756,1757,
 &end
#
#    0 AMB  25-2:1776   145 VAL  MGX         2.80    (#   1776:25  Single Ambig)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2262,2285,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  144 TYR  HA          145 VAL  MGX         4.50    (#   1777:25  Unique         3.96, 5.85 A)
 &rst
  ixpk= 1777, nxpk= 25, iat=2241,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  145 VAL  HB          145 VAL  MGX         2.80    (#   1778:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=2264,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#    0 AMB  25-2:1779   145 VAL  MGX         2.80    (#   1779:25  Single Ambig)
 &rst
  ixpk= 1779, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1916,1917,1916,1917,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  123 LYS  HD-         145 VAL  MGX         2.80    (#   1780:25  Unique         2.68, 4.57 A)
 &rst
  ixpk= 1780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1922,1923,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#    0 AMB  25-2:1781   145 VAL  MGX         2.80    (#   1781:25  Single Ambig)
 &rst
  ixpk= 1781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1919,1920,2233,2234,2235,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#   26 ALA  HA           26 ALA  MB          2.80    (#   1782:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1782, nxpk= 25, iat= 417,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 419, 420, 421,
 &end
#
#   23 SER  HA           26 ALA  MB          3.50    (#   1783:25  Unique         2.81, 4.03 A)
 &rst
  ixpk= 1783, nxpk= 25, iat= 378,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 419, 420, 421,
 &end
#
#   80 PRO  HB+          26 ALA  MB          3.50    (#   1784:25  Unique         2.09, 3.72 A)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1272,1273,
 igr2= 419, 420, 421,
 &end
#
#   27 THR  MG2          26 ALA  MB          2.80    (#   1785:25  Unique         2.27, 4.48 A)
 &rst
  ixpk= 1785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 431, 432, 433,
 igr2= 419, 420, 421,
 &end
#
#  113 ALA  HA          113 ALA  MB          2.80    (#   1787:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1787, nxpk= 25, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1755,1756,1757,
 &end
#
#  114 VAL  MGX         113 ALA  MB          3.50    (#   1788:25  Unique         3.45, 6.43 A)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1767,1768,1769,1771,1772,1773,
 igr2=1755,1756,1757,
 &end
#
#   68 LEU  MDY          99 ALA  MB          2.80    (#   1789:25  Unique         2.71, 4.50 A)
 &rst
  ixpk= 1789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1547,1548,1549,
 &end
#
#   99 ALA  HA           99 ALA  MB          2.80    (#   1790:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1790, nxpk= 25, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1547,1548,1549,
 &end
#
#   71 GLN  HA           99 ALA  MB          2.80    (#   1791:25  Unique         1.99, 2.41 A)
 &rst
  ixpk= 1791, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1547,1548,1549,
 &end
#
#  100 PRO  HD+          99 ALA  MB          3.50    (#   1792:25  Unique         3.75, 4.59 A)
 &rst
  ixpk= 1792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1554,1555,
 igr2=1547,1548,1549,
 &end
#
#   71 GLN  HB+          99 ALA  MB          2.80    (#   1793:25  Unique         2.00, 4.04 A)
 &rst
  ixpk= 1793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1126,1127,
 igr2=1547,1548,1549,
 &end
#
#   71 GLN  HG-          99 ALA  MB          2.80    (#   1794:25  Unique         1.96, 3.36 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1129,1130,
 igr2=1547,1548,1549,
 &end
#
#   71 GLN  HB-          99 ALA  MB          3.50    (#   1795:25  Unique         2.00, 4.04 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1126,1127,
 igr2=1547,1548,1549,
 &end
#
#  102 LEU  MDX          99 ALA  MB          2.80    (#   1797:25  Unique         2.80, 5.27 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1547,1548,1549,
 &end
#
#   68 LEU  MDX          99 ALA  MB          2.80    (#   1798:25  Unique         2.71, 4.50 A)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1547,1548,1549,
 &end
#
#  100 PRO  HD-          99 ALA  MB          4.50    (#   1799:25  Unique         3.75, 4.59 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1554,1555,
 igr2=1547,1548,1549,
 &end
#
#   63 VAL  HA           63 VAL  MGX         3.50    (#   1800:25  Unique         2.22, 3.46 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=1008,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:1802    63 VAL  MGX         2.80    (#   1802:25  Single Ambig)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1362,1363,1364,1366,1367,1368,1297,1298,1299,1301,
      1302,1303,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:1803    95 ALA  MB          4.50    (#   1803:25  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1498,1421,
 igr2=1490,1491,1492,
 &end
#
#   95 ALA  HA           95 ALA  MB          2.80    (#   1804:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1490,1491,1492,
 &end
#
#    0 AMB  25-2:1805    95 ALA  MB          2.80    (#   1805:25  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=1060,1061,1062,1089,1090,
 igr2=1490,1491,1492,
 &end
#
#    0 AMB  25-2:1806    95 ALA  MB          3.50    (#   1806:25  Single Ambig)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1=1444,1445,1446,1448,1449,1450,1547,1548,1549,
 igr2=1490,1491,1492,
 &end
#
#   68 LEU  MDY          95 ALA  MB          2.80    (#   1807:25  Unique         1.99, 3.90 A)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1490,1491,1492,
 &end
#
#    3 ILE  HA            3 ILE  MG2         3.50    (#   1808:25  Unique         2.34, 3.04 A)
 &rst
  ixpk= 1808, nxpk= 25, iat=  39,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  43,  44,  45,
 &end
#
#   90 VAL  HB            3 ILE  MG2         4.50    (#   1809:25  Unique         3.39, 4.34 A)
 &rst
  ixpk= 1809, nxpk= 25, iat=1407,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  43,  44,  45,
 &end
#
#    3 ILE  HB            3 ILE  MG2         2.80    (#   1810:25  Unique         2.34, 2.63 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=  41,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=  43,  44,  45,
 &end
#
#    3 ILE  HG1-          3 ILE  MG2         3.50    (#   1811:25  Unique         2.42, 3.51 A)
 &rst
  ixpk= 1811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  47,  48,
 igr2=  43,  44,  45,
 &end
#
#   87 VAL  HA            3 ILE  MG2         4.50    (#   1812:25  Unique         3.62, 4.99 A)
 &rst
  ixpk= 1812, nxpk= 25, iat=1358,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  43,  44,  45,
 &end
#
#   63 VAL  HB           63 VAL  MGX         2.80    (#   1813:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=1010,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:1815    50 ALA  MB          4.50    (#   1815:25  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 815, 816, 815, 816, 818, 819,
 igr2= 805, 806, 807,
 &end
#
#   50 ALA  HA           50 ALA  MB          2.80    (#   1816:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1816, nxpk= 25, iat= 803,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 805, 806, 807,
 &end
#
#    0 AMB  25-2:1817    50 ALA  MB          2.80    (#   1817:25  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 755, 812, 813,
 igr2= 805, 806, 807,
 &end
#
#   51 PRO  HD-          50 ALA  MB          2.80    (#   1818:25  Unique         2.69, 4.09 A)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 812, 813,
 igr2= 805, 806, 807,
 &end
#
#   52 LEU  HG           50 ALA  MB          3.50    (#   1819:25  Unique         2.92, 3.79 A)
 &rst
  ixpk= 1819, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 805, 806, 807,
 &end
#
#   52 LEU  MDY          50 ALA  MB          2.80    (#   1820:25  Unique         2.23, 5.21 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 805, 806, 807,
 &end
#
#   60 ASP  HA           56 VAL  MGX         2.80    (#   1821:25  Unique         2.88, 4.00 A)
 &rst
  ixpk= 1821, nxpk= 25, iat= 965,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    4 SER  HB+          56 VAL  MGX         3.50    (#   1822:25  Unique         2.42, 5.30 A)
 &rst
  ixpk= 1822, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  60,  61,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    6 ARG  HG+          56 VAL  MGX         5.50    (#   1823:25  Unique         2.61, 4.66 A)
 &rst
  ixpk= 1823, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  93,  94,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   62 PRO  HA           56 VAL  MGX         3.50    (#   1824:25  Unique         2.12, 4.43 A)
 &rst
  ixpk= 1824, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   56 VAL  HB           56 VAL  MGX         2.80    (#   1825:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1825, nxpk= 25, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    6 ARG  HG-          56 VAL  MGX         4.50    (#   1826:25  Unique         2.61, 4.66 A)
 &rst
  ixpk= 1826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  93,  94,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   33 ALA  HA           33 ALA  MB          2.80    (#   1829:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1829, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 522, 523, 524,
 &end
#
#   34 GLU  HG-          33 ALA  MB          4.50    (#   1830:25  Unique         3.37, 5.48 A)
 &rst
  ixpk= 1830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 535, 536,
 igr2= 522, 523, 524,
 &end
#
#    0 AMB  25-2:1831    33 ALA  MB          3.50    (#   1831:25  Single Ambig)
 &rst
  ixpk= 1831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 532, 533, 568, 569,
 igr2= 522, 523, 524,
 &end
#
#   32 SER  HA           33 ALA  MB          4.50    (#   1833:25  Unique         4.33, 5.16 A)
 &rst
  ixpk= 1833, nxpk= 25, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 522, 523, 524,
 &end
#
#    0 AMB  25-2:1835    18 ALA  MB          2.80    (#   1835:25  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 290, 240,
 igr2= 292, 293, 294,
 &end
#
#   22 ARG  HD-          18 ALA  MB          4.50    (#   1836:25  Unique         4.14, 6.24 A)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 362, 363,
 igr2= 292, 293, 294,
 &end
#
#    0 AMB  25-2:1839    18 ALA  MB          3.50    (#   1839:25  Single Ambig)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 igr2= 292, 293, 294,
 &end
#
#   91 LEU  HA           66 MET  ME          4.50    (#   1840:25  Unique         4.20, 5.24 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1060,1061,1062,
 &end
#
#   95 ALA  HA           66 MET  ME          2.80    (#   1841:25  Unique         2.39, 3.53 A)
 &rst
  ixpk= 1841, nxpk= 25, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1060,1061,1062,
 &end
#
#   53 TRP  HB+          66 MET  ME          2.80    (#   1842:25  Unique         2.88, 4.31 A)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 848, 849,
 igr2=1060,1061,1062,
 &end
#
#   53 TRP  HB-          66 MET  ME          2.80    (#   1843:25  Unique         2.88, 4.31 A)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 848, 849,
 igr2=1060,1061,1062,
 &end
#
#   66 MET  HG+          66 MET  ME          2.80    (#   1844:25  Unique         2.15, 3.56 A)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1056,1057,
 igr2=1060,1061,1062,
 &end
#
#   66 MET  HG-          66 MET  ME          2.80    (#   1845:25  Unique         2.15, 3.56 A)
 &rst
  ixpk= 1845, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1056,1057,
 igr2=1060,1061,1062,
 &end
#
#   66 MET  HB+          66 MET  ME          3.50    (#   1846:25  Unique         2.82, 3.85 A)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1053,1054,
 igr2=1060,1061,1062,
 &end
#
#   95 ALA  MB           66 MET  ME          2.80    (#   1847:25  Unique         2.67, 4.26 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1490,1491,1492,
 igr2=1060,1061,1062,
 &end
#
#   98 MET  ME           66 MET  ME          3.50    (#   1848:25  Unique         2.29, 4.18 A)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1537,1538,1539,
 igr2=1060,1061,1062,
 &end
#
#   68 LEU  MDY          66 MET  ME          2.80    (#   1849:25  Unique         3.05, 6.12 A)
 &rst
  ixpk= 1849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1060,1061,1062,
 &end
#
#    0 AMB  25-2:1850    66 MET  ME          2.80    (#   1850:25  Single Ambig)
 &rst
  ixpk= 1850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1094,1095,1096,1098,1099,1100,1428,1429,1430,1432,
      1433,1434,
 igr2=1060,1061,1062,
 &end
#
#   78 ILE  HA           78 ILE  MG2         2.80    (#   1852:25  Unique         2.21, 2.98 A)
 &rst
  ixpk= 1852, nxpk= 25, iat=1236,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1240,1241,1242,
 &end
#
#   87 VAL  HB           78 ILE  MG2         3.50    (#   1853:25  Unique         2.19, 3.57 A)
 &rst
  ixpk= 1853, nxpk= 25, iat=1360,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1240,1241,1242,
 &end
#
#   78 ILE  HB           78 ILE  MG2         2.80    (#   1854:25  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1854, nxpk= 25, iat=1238,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1240,1241,1242,
 &end
#
#   78 ILE  HG1-         78 ILE  MG2         3.50    (#   1855:25  Unique         2.60, 3.52 A)
 &rst
  ixpk= 1855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1244,1245,
 igr2=1240,1241,1242,
 &end
#
#  130 VAL  HA          130 VAL  MGX         3.50    (#   1856:25  Unique         2.19, 3.33 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=2023,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  134 GLY  HA+         130 VAL  MGX         3.50    (#   1857:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2082,2083,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  134 GLY  HA-         130 VAL  MGX         2.80    (#   1858:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2082,2083,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  HB          130 VAL  MGX         2.80    (#   1859:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1859, nxpk= 25, iat=2025,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#   53 TRP  HB-           5 ILE  MG2         3.50    (#   1860:25  Unique         2.14, 2.99 A)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 848, 849,
 igr2=  73,  74,  75,
 &end
#
#    5 ILE  HB            5 ILE  MG2         2.80    (#   1861:25  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=  71,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=  73,  74,  75,
 &end
#
#    5 ILE  HG1-          5 ILE  MG2         2.80    (#   1862:25  Unique         2.40, 3.49 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  77,  78,
 igr2=  73,  74,  75,
 &end
#
#    5 ILE  HG1+          5 ILE  MG2         2.80    (#   1863:25  Unique         2.40, 3.49 A)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  77,  78,
 igr2=  73,  74,  75,
 &end
#
#   91 LEU  MDX           5 ILE  MG2         3.50    (#   1864:25  Unique         2.77, 5.57 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=  73,  74,  75,
 &end
#
#    5 ILE  MD1           5 ILE  MG2         2.80    (#   1865:25  Unique         1.99, 3.63 A)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  80,  81,  82,
 igr2=  73,  74,  75,
 &end
#
#   57 ASN  HB-           1 MET  ME          4.50    (#   1866:25  Unique         2.09, 3.48 A)
 &rst
  ixpk= 1866, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 914, 915,
 igr2=  15,  16,  17,
 &end
#
#    3 ILE  HG1+          1 MET  ME          4.50    (#   1867:25  Unique         3.59, 4.85 A)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  47,  48,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG+           1 MET  ME          3.50    (#   1868:25  Unique         2.11, 3.30 A)
 &rst
  ixpk= 1868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-2:1869     1 MET  ME          3.50    (#   1869:25  Single Ambig)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,1295,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-2:1870     1 MET  ME          2.80    (#   1870:25  Single Ambig)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1297,1298,1299,1301,1302,1303,1362,1363,1364,1366,
      1367,1368,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  25-2:1871     1 MET  ME          2.80    (#   1871:25  Single Ambig)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1362,1363,1364,1366,1367,1368,1012,1013,1014,1016,
      1017,1018,
 igr2=  15,  16,  17,
 &end
#
#   91 LEU  MDY           5 ILE  MG2         3.50    (#   1872:25  Unique         2.77, 5.57 A)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=  73,  74,  75,
 &end
#
#   76 LEU  HA           73 MET  ME          4.50    (#   1873:25  Unique         4.85, 5.87 A)
 &rst
  ixpk= 1873, nxpk= 25, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1167,1168,1169,
 &end
#
#  104 THR  HA           73 MET  ME          4.50    (#   1874:25  Unique         4.08, 5.30 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=1617,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1167,1168,1169,
 &end
#
#   76 LEU  HB-          73 MET  ME          2.80    (#   1876:25  Unique         2.30, 3.45 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1199,1200,
 igr2=1167,1168,1169,
 &end
#
#    0 AMB  25-2:1877    73 MET  ME          2.80    (#   1877:25  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
 igr1=1444,1445,1446,1448,1449,1450,1202,
 igr2=1167,1168,1169,
 &end
#
#    0 AMB  25-2:1878    73 MET  ME          2.80    (#   1878:25  Single Ambig)
 &rst
  ixpk= 1878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1204,1205,1206,1208,1209,1210,1444,1445,1446,1448,
      1449,1450,
 igr2=1167,1168,1169,
 &end
#
#   76 LEU  MDX          73 MET  ME          2.80    (#   1879:25  Unique         1.99, 4.36 A)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1204,1205,1206,1208,1209,1210,
 igr2=1167,1168,1169,
 &end
#
#  104 THR  MG2          73 MET  ME          2.80    (#   1880:25  Unique         2.81, 4.66 A)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1621,1622,1623,
 igr2=1167,1168,1169,
 &end
#
#   64 GLY  HA-          19 ILE  MG2         4.50    (#   1881:25  Unique         1.99, 3.79 A)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1024,1025,
 igr2= 304, 305, 306,
 &end
#
#   92 VAL  HA           73 MET  ME          4.50    (#   1882:25  Unique         3.70, 4.64 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=1440,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1167,1168,1169,
 &end
#
#    0 AMB  25-2:1883    19 ILE  MG2         2.80    (#   1883:25  Single Ambig)
 &rst
  ixpk= 1883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1236,1255,
 igr2= 304, 305, 306,
 &end
#
#   19 ILE  HA           19 ILE  MG2         3.50    (#   1884:25  Unique         2.59, 3.26 A)
 &rst
  ixpk= 1884, nxpk= 25, iat= 300,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 304, 305, 306,
 &end
#
#   79 ASP  HB-          19 ILE  MG2         4.50    (#   1885:25  Unique         3.09, 4.78 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1257,1258,
 igr2= 304, 305, 306,
 &end
#
#   77 PHE  HB+          19 ILE  MG2         4.50    (#   1886:25  Unique         3.09, 4.31 A)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1218,1219,
 igr2= 304, 305, 306,
 &end
#
#   19 ILE  HB           19 ILE  MG2         2.80    (#   1887:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1887, nxpk= 25, iat= 302,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 304, 305, 306,
 &end
#
#   19 ILE  HG1-         19 ILE  MG2         4.50    (#   1888:25  Unique         2.21, 3.31 A)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 308, 309,
 igr2= 304, 305, 306,
 &end
#
#   69 SER  HA           98 MET  ME          4.50    (#   1889:25  Unique         4.88, 5.82 A)
 &rst
  ixpk= 1889, nxpk= 25, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1537,1538,1539,
 &end
#
#   95 ALA  HA           98 MET  ME          2.80    (#   1890:25  Unique         2.04, 2.91 A)
 &rst
  ixpk= 1890, nxpk= 25, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1537,1538,1539,
 &end
#
#   98 MET  HG+          98 MET  ME          3.50    (#   1891:25  Unique         2.48, 3.72 A)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1533,1534,
 igr2=1537,1538,1539,
 &end
#
#   98 MET  HG-          98 MET  ME          2.80    (#   1892:25  Unique         2.48, 3.72 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1533,1534,
 igr2=1537,1538,1539,
 &end
#
#    0 AMB  25-2:1893    98 MET  ME          2.80    (#   1893:25  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=1530,1531,1060,1061,1062,
 igr2=1537,1538,1539,
 &end
#
#    0 AMB  25-2:1894    98 MET  ME          2.80    (#   1894:25  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1092,1089,1090,1490,1491,1492,
 igr2=1537,1538,1539,
 &end
#
#   68 LEU  MDY          98 MET  ME          2.80    (#   1895:25  Unique         2.07, 4.37 A)
 &rst
  ixpk= 1895, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1537,1538,1539,
 &end
#
#   68 LEU  MDX          98 MET  ME          3.50    (#   1896:25  Unique         2.07, 4.37 A)
 &rst
  ixpk= 1896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1537,1538,1539,
 &end
#
#   63 VAL  HA           19 ILE  MD1         3.50    (#   1897:25  Unique         2.24, 3.50 A)
 &rst
  ixpk= 1897, nxpk= 25, iat=1008,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 311, 312, 313,
 &end
#
#   16 LEU  HA           19 ILE  MD1         3.50    (#   1898:25  Unique         2.00, 2.76 A)
 &rst
  ixpk= 1898, nxpk= 25, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 311, 312, 313,
 &end
#
#    0 AMB  25-2:1899    19 ILE  MD1         4.50    (#   1899:25  Single Ambig)
 &rst
  ixpk= 1899, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1257,1258,1010,
 igr2= 311, 312, 313,
 &end
#
#   19 ILE  HB           19 ILE  MD1         2.80    (#   1900:25  Unique         2.05, 2.89 A)
 &rst
  ixpk= 1900, nxpk= 25, iat= 302,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 311, 312, 313,
 &end
#
#   19 ILE  HG1+         19 ILE  MD1         2.80    (#   1901:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 308, 309,
 igr2= 311, 312, 313,
 &end
#
#    0 AMB  25-2:1902    19 ILE  MD1         3.50    (#   1902:25  Single Ambig)
 &rst
  ixpk= 1902, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 999,1000, 996, 997,
 igr2= 311, 312, 313,
 &end
#
#   62 PRO  HB-          19 ILE  MD1         2.80    (#   1903:25  Unique         3.23, 4.36 A)
 &rst
  ixpk= 1903, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 999,1000,
 igr2= 311, 312, 313,
 &end
#
#   19 ILE  HG1-         19 ILE  MD1         2.80    (#   1904:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1904, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 308, 309,
 igr2= 311, 312, 313,
 &end
#
#   19 ILE  HA           19 ILE  MD1         4.50    (#   1905:25  Unique         4.31, 4.51 A)
 &rst
  ixpk= 1905, nxpk= 25, iat= 300,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 311, 312, 313,
 &end
#
#    0 AMB  25-2:1906    78 ILE  MD1         4.50    (#   1906:25  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1236,1216,
 igr2=1247,1248,1249,
 &end
#
#   88 GLY  HA+          78 ILE  MD1         3.50    (#   1907:25  Unique         1.99, 3.31 A)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1374,1375,
 igr2=1247,1248,1249,
 &end
#
#   78 ILE  HB           78 ILE  MD1         2.80    (#   1908:25  Unique         2.39, 3.18 A)
 &rst
  ixpk= 1908, nxpk= 25, iat=1238,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1247,1248,1249,
 &end
#
#    0 AMB  25-2:1909    78 ILE  MD1         3.50    (#   1909:25  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1423,1424,1360,
 igr2=1247,1248,1249,
 &end
#
#   78 ILE  HG1-         78 ILE  MD1         2.80    (#   1910:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1244,1245,
 igr2=1247,1248,1249,
 &end
#
#    1 MET  ME            3 ILE  MD1         4.50    (#   1911:25  Unique         2.06, 3.37 A)
 &rst
  ixpk= 1911, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  15,  16,  17,
 igr2=  50,  51,  52,
 &end
#
#    3 ILE  HB            3 ILE  MD1         4.50    (#   1912:25  Unique         3.57, 3.92 A)
 &rst
  ixpk= 1912, nxpk= 25, iat=  41,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  50,  51,  52,
 &end
#
#   91 LEU  HA            5 ILE  MD1         3.50    (#   1913:25  Unique         2.38, 3.66 A)
 &rst
  ixpk= 1913, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  80,  81,  82,
 &end
#
#   94 HIS  HB+           5 ILE  MD1         4.50    (#   1914:25  Unique         3.71, 5.15 A)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1473,1474,
 igr2=  80,  81,  82,
 &end
#
#   94 HIS  HB-           5 ILE  MD1         3.50    (#   1915:25  Unique         3.71, 5.15 A)
 &rst
  ixpk= 1915, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1473,1474,
 igr2=  80,  81,  82,
 &end
#
#    0 AMB  25-2:1916     5 ILE  MD1         3.50    (#   1916:25  Single Ambig)
 &rst
  ixpk= 1916, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  71,  93,  94,
 igr2=  80,  81,  82,
 &end
#
#    0 AMB  25-2:1917     5 ILE  MD1         2.80    (#   1917:25  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=  77,  78,1409,1410,1411,1413,1414,1415,
 igr2=  80,  81,  82,
 &end
#
#    5 ILE  MG2           5 ILE  MD1         2.80    (#   1918:25  Unique         1.99, 3.63 A)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=  73,  74,  75,
 igr2=  80,  81,  82,
 &end
#
#    3 ILE  HA            3 ILE  MD1         3.50    (#   1919:25  Unique         2.09, 3.01 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=  39,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  50,  51,  52,
 &end
#
#   87 VAL  HA            3 ILE  MD1         4.50    (#   1920:25  Unique         4.75, 5.71 A)
 &rst
  ixpk= 1920, nxpk= 25, iat=1358,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  50,  51,  52,
 &end
#
#    3 ILE  HG1-          3 ILE  MD1         2.80    (#   1921:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  47,  48,
 igr2=  50,  51,  52,
 &end
#
#    3 ILE  HG1+          3 ILE  MD1         2.80    (#   1922:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  47,  48,
 igr2=  50,  51,  52,
 &end
#
#    5 ILE  HA            5 ILE  HB          3.50    (#   1924:25  Unique         3.01, 3.02 A)
 &rst
  ixpk= 1924, nxpk= 25, iat=  69,  71, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  143 ALA  HA          143 ALA  MB          2.80    (#   1925:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 1925, nxpk= 25, iat=2231,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=2233,2234,2235,
 &end
#
#  103 THR  HA          103 THR  MG2         2.80    (#   1926:25  Unique         2.31, 2.95 A)
 &rst
  ixpk= 1926, nxpk= 25, iat=1603,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1607,1608,1609,
 &end
#
#  125 THR  HA          125 THR  HB          2.80    (#   1927:25  Unique         2.32, 2.36 A)
 &rst
  ixpk= 1927, nxpk= 25, iat=1952,1954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:1928     0 AMB  25-1:1928   3.50    (#   1928:25  Double Ambig)
 &rst
  ixpk= 1928, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2162,2163,1975,1976,
 igr2=1999,2000,1999,2000,
 &end
#
#   20 TRP  HB+          20 TRP  HA          2.80    (#   1929:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 1929, nxpk= 25, iat=  -1, 319, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 321, 322,
 &end
#
#  110 ASN  HN          109 GLN  HA          3.50    (#   1930:25  Unique         2.96, 3.45 A)
 &rst
  ixpk= 1930, nxpk= 25, iat=1705,1690, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 VAL  MGY          60 ASP  HA          3.50    (#   1931:25  Unique         2.88, 4.00 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1, 965, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  25-2:1932    79 ASP  HA          3.50    (#   1932:25  Single Ambig)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1253, 365,
 &end
#
#    0 AMB  25-2:1933   142 LEU  HA          3.50    (#   1933:25  Single Ambig)
 &rst
  ixpk= 1933, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1956,1957,1958,1940,1941,1942,1944,1945,1946,
 &end
#
#   58 GLU  HN           57 ASN  HA          3.50    (#   1934:25  Unique         2.71, 2.73 A)
 &rst
  ixpk= 1934, nxpk= 25, iat= 924, 912, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1935     0 AMB  25-1:1935   3.50    (#   1935:25  Double Ambig)
 &rst
  ixpk= 1935, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 218, 219, 218, 219,
 &end
#
#   48 PRO  HB-          13 GLY  HA+         3.50    (#   1936:25  Unique         1.93, 3.41 A)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 779, 780,
 igr2= 218, 219,
 &end
#
#   48 PRO  HB+          13 GLY  HA+         3.50    (#   1937:25  Unique         1.93, 3.41 A)
 &rst
  ixpk= 1937, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 779, 780,
 igr2= 218, 219,
 &end
#
#   48 PRO  HB-          13 GLY  HA-         3.50    (#   1938:25  Unique         1.93, 3.41 A)
 &rst
  ixpk= 1938, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 779, 780,
 igr2= 218, 219,
 &end
#
#   65 PHE  HN           64 GLY  HA+         2.80    (#   1939:25  Unique         2.28, 2.58 A)
 &rst
  ixpk= 1939, nxpk= 25, iat=1029,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1024,1025,
 &end
#
#   65 PHE  HN           64 GLY  HA-         2.80    (#   1940:25  Unique         2.28, 2.58 A)
 &rst
  ixpk= 1940, nxpk= 25, iat=1029,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1024,1025,
 &end
#
#   64 GLY  HN           64 GLY  HA+         3.50    (#   1941:25  Unique         2.68, 2.80 A)
 &rst
  ixpk= 1941, nxpk= 25, iat=1022,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1024,1025,
 &end
#
#   64 GLY  HN           64 GLY  HA-         3.50    (#   1942:25  Unique         2.68, 2.80 A)
 &rst
  ixpk= 1942, nxpk= 25, iat=1022,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1024,1025,
 &end
#
#   67 LEU  HA           67 LEU  HB-         3.50    (#   1943:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1943, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#  135 LYS  HN          134 GLY  HA-         3.50    (#   1944:25  Unique         2.94, 3.26 A)
 &rst
  ixpk= 1944, nxpk= 25, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2082,2083,
 &end
#
#  146 GLY  HN          146 GLY  HA+         2.80    (#   1946:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 1946, nxpk= 25, iat=2276,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2278,2279,
 &end
#
#  147 ALA  HN          146 GLY  HA-         2.80    (#   1947:25  Unique         2.16, 3.02 A)
 &rst
  ixpk= 1947, nxpk= 25, iat=2283,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2278,2279,
 &end
#
#  102 LEU  HN          102 LEU  HB-         2.80    (#   1948:25  Unique         2.24, 2.90 A)
 &rst
  ixpk= 1948, nxpk= 25, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1586,1587,
 &end
#
#  102 LEU  MDY         102 LEU  HB-         2.80    (#   1949:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 1949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1586,1587,
 &end
#
#  116 PHE  HE            0 AMB  25-1:1950   3.50    (#   1950:25  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1794,1798,
 igr2=1389,1390,1389,1390,1317,1318,1317,1318,
 &end
#
#   45 SER  HN           46 PHE  HB-         3.50    (#   1951:25  Unique         3.66, 4.41 A)
 &rst
  ixpk= 1951, nxpk= 25, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 737, 738,
 &end
#
#   60 ASP  HA           60 ASP  HB+         2.80    (#   1955:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 1955, nxpk= 25, iat= 965,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 967, 968,
 &end
#
#   60 ASP  HA           60 ASP  HB-         2.80    (#   1959:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 1959, nxpk= 25, iat= 965,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 967, 968,
 &end
#
#    0 AMB  25-2:1960     0 AMB  25-1:1960   2.80    (#   1960:25  Double Ambig)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 571, 572, 571, 572,
 igr2= 574, 575, 574, 575,
 &end
#
#  131 ASP  HA          131 ASP  HB+         2.80    (#   1961:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 1961, nxpk= 25, iat=2039,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2041,2042,
 &end
#
#  131 ASP  HA          131 ASP  HB-         2.80    (#   1962:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 1962, nxpk= 25, iat=2039,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2041,2042,
 &end
#
#   57 ASN  HA           57 ASN  HB+         2.80    (#   1964:25  Unique         2.29, 2.46 A)
 &rst
  ixpk= 1964, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 914, 915,
 &end
#
#  116 PHE  HN          116 PHE  HB+         2.80    (#   1965:25  Unique         2.43, 2.55 A)
 &rst
  ixpk= 1965, nxpk= 25, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1788,1789,
 &end
#
#  116 PHE  HN          116 PHE  HB-         2.80    (#   1966:25  Unique         2.43, 2.55 A)
 &rst
  ixpk= 1966, nxpk= 25, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1788,1789,
 &end
#
#   35 TYR  HN           35 TYR  HB+         2.80    (#   1967:25  Unique         2.13, 2.71 A)
 &rst
  ixpk= 1967, nxpk= 25, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 547, 548,
 &end
#
#   35 TYR  HN           35 TYR  HB-         3.50    (#   1968:25  Unique         2.13, 2.71 A)
 &rst
  ixpk= 1968, nxpk= 25, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 547, 548,
 &end
#
#  109 GLN  HE2-         30 PHE  HB-         2.80    (#   1969:25  Unique         2.18, 3.47 A)
 &rst
  ixpk= 1969, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1700,1701,
 igr2= 472, 473,
 &end
#
#   30 PHE  HA           30 PHE  HB-         2.80    (#   1970:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1970, nxpk= 25, iat= 470,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 472, 473,
 &end
#
#   30 PHE  HA           30 PHE  HB+         2.80    (#   1971:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 1971, nxpk= 25, iat= 470,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 472, 473,
 &end
#
#  116 PHE  HA          116 PHE  HB+         2.80    (#   1972:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 1972, nxpk= 25, iat=1786,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1788,1789,
 &end
#
#  110 ASN  HN          110 ASN  HB+         2.80    (#   1981:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1981, nxpk= 25, iat=1705,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1709,1710,
 &end
#
#   15 GLU  HA           15 GLU  HG-         2.80    (#   1982:25  Unique         2.17, 3.00 A)
 &rst
  ixpk= 1982, nxpk= 25, iat= 240,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 245, 246,
 &end
#
#  110 ASN  HA          110 ASN  HB+         3.50    (#   1984:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=1707,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1709,1710,
 &end
#
#  106 VAL  MGY         110 ASN  HB+         3.50    (#   1985:25  Unique         3.73, 6.42 A)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1649,1650,1651,1653,1654,1655,
 igr2=1709,1710,
 &end
#
#  113 ALA  MB          110 ASN  HB+         3.50    (#   1986:25  Unique         2.01, 4.61 A)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1755,1756,1757,
 igr2=1709,1710,
 &end
#
#    0 AMB  25-2:1987     0 AMB  25-1:1987   3.50    (#   1987:25  Double Ambig)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1444,1445,1446,1448,1449,1450,1409,1410,1411,1413,
      1414,1415,
 igr2=1461,1462,1461,1462,
 &end
#
#   49 GLU  HB-          49 GLU  HG-         2.80    (#   1988:25  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 790, 791,
 igr2= 793, 794,
 &end
#
#   12 GLU  HN           12 GLU  HG-         3.50    (#   1989:25  Unique         2.32, 3.00 A)
 &rst
  ixpk= 1989, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 208, 209,
 &end
#
#  112 GLN  HE2+        112 GLN  HG+         3.50    (#   1990:25  Unique         2.14, 3.40 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1746,1747,
 igr2=1741,1742,
 &end
#
#   72 HIS  HN           72 HIS  HB+         2.80    (#   1992:25  Unique         2.76, 3.22 A)
 &rst
  ixpk= 1992, nxpk= 25, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1143,1144,
 &end
#
#   66 MET  ME           53 TRP  HB+         4.50    (#   1996:25  Unique         2.88, 4.31 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1060,1061,1062,
 igr2= 848, 849,
 &end
#
#   10 HIS  HA           10 HIS  HB+         2.80    (#   2000:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2000, nxpk= 25, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 173, 174,
 &end
#
#   10 HIS  HA           10 HIS  HB-         2.80    (#   2001:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2001, nxpk= 25, iat= 171,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 173, 174,
 &end
#
#   12 GLU  HG+          12 GLU  HB-         2.80    (#   2004:25  Unique         2.21, 2.67 A)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 208, 209,
 igr2= 205, 206,
 &end
#
#    0 AMB  25-2:2005     0 AMB  25-1:2005   2.80    (#   2005:25  Double Ambig)
 &rst
  ixpk= 2005, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1293,1340,
 igr2=1342,1343,1342,1343,
 &end
#
#    0 AMB  25-2:2006     0 AMB  25-1:2006   3.50    (#   2006:25  Double Ambig)
 &rst
  ixpk= 2006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1362,1363,1364,1366,1367,1368,1297,1298,1299,1301,
      1302,1303,
 igr2=1342,1343,1342,1343,
 &end
#
#    0 AMB  25-2:2008     0 AMB  25-1:2008   2.80    (#   2008:25  Double Ambig)
 &rst
  ixpk= 2008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 319, 274,
 igr2= 321, 322, 321, 322,
 &end
#
#   21 CYS  HA           21 CYS  HB+         2.80    (#   2010:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2010, nxpk= 25, iat= 343,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 345, 346,
 &end
#
#   18 ALA  HA           21 CYS  HB+         3.50    (#   2011:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 2011, nxpk= 25, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 345, 346,
 &end
#
#    0 AMB  25-2:2013     0 AMB  25-1:2013   2.80    (#   2013:25  Double Ambig)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1560,1561,1560,1561,
 igr2=1557,1558,1557,1558,
 &end
#
#   43 VAL  MGY          47 LEU  MDX         3.50    (#   2014:25  Unique         2.02, 5.42 A)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   87 VAL  HA           87 VAL  MGX         2.80    (#   2015:25  Unique         2.41, 3.11 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=1358,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   66 MET  HN           65 PHE  HA          2.80    (#   2016:25  Unique         2.21, 2.25 A)
 &rst
  ixpk= 2016, nxpk= 25, iat=1049,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 MET  HN           66 MET  HA          3.50    (#   2017:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 2017, nxpk= 25, iat=1049,1051, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 THR  MG2         125 THR  HB          2.80    (#   2018:25  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2018, nxpk= 25, iat=  -1,1954, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1956,1957,1958,
 &end
#
#   37 THR  MG2          37 THR  HB          2.80    (#   2019:25  Unique         2.38, 2.64 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 594, 595, 596,
 &end
#
#   48 PRO  HB+          48 PRO  HA          2.80    (#   2020:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 779, 780,
 &end
#
#   20 TRP  HB+          17 VAL  HA          2.80    (#   2021:25  Unique         2.96, 3.55 A)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 321, 322,
 &end
#
#   37 THR  HB           37 THR  HA          3.50    (#   2022:25  Unique         2.97, 2.99 A)
 &rst
  ixpk= 2022, nxpk= 25, iat= 592, 590, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2023   128 SER  HB-         3.50    (#   2023:25  Single Ambig)
 &rst
  ixpk= 2023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=2162,2163,1975,1976,
 igr2=1999,2000,
 &end
#
#    4 SER  HA            4 SER  HB+         2.80    (#   2024:25  Unique         2.29, 2.63 A)
 &rst
  ixpk= 2024, nxpk= 25, iat=  58,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  60,  61,
 &end
#
#    4 SER  HA            4 SER  HB-         2.80    (#   2025:25  Unique         2.29, 2.63 A)
 &rst
  ixpk= 2025, nxpk= 25, iat=  58,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  60,  61,
 &end
#
#  128 SER  HA          128 SER  HB+         2.80    (#   2026:25  Unique         2.70, 2.84 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=1997,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1999,2000,
 &end
#
#  128 SER  HA          128 SER  HB-         2.80    (#   2027:25  Unique         2.70, 2.84 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=1997,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1999,2000,
 &end
#
#   80 PRO  HB+          80 PRO  HA          2.80    (#   2028:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,1275, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1272,1273,
 &end
#
#   80 PRO  HB-          80 PRO  HA          2.80    (#   2029:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2029, nxpk= 25, iat=  -1,1275, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1272,1273,
 &end
#
#   56 VAL  MGX           4 SER  HB+         2.80    (#   2030:25  Unique         2.42, 5.30 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 900, 901, 902, 904, 905, 906,
 igr2=  60,  61,
 &end
#
#   56 VAL  MGX           4 SER  HB-         2.80    (#   2031:25  Unique         2.42, 5.30 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 900, 901, 902, 904, 905, 906,
 igr2=  60,  61,
 &end
#
#   32 SER  HN           32 SER  HB-         3.50    (#   2032:25  Unique         2.07, 2.87 A)
 &rst
  ixpk= 2032, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 511, 512,
 &end
#
#    0 AMB  25-2:2036   100 PRO  HA          2.80    (#   2036:25  Single Ambig)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#  100 PRO  HB-         100 PRO  HA          2.80    (#   2037:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2037, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1560,1561,
 &end
#
#  100 PRO  HB+         100 PRO  HA          2.80    (#   2038:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1560,1561,
 &end
#
#   32 SER  HN           32 SER  HB+         3.50    (#   2039:25  Unique         2.07, 2.87 A)
 &rst
  ixpk= 2039, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 511, 512,
 &end
#
#  101 GLU  HN          100 PRO  HA          3.50    (#   2040:25  Unique         3.52, 3.52 A)
 &rst
  ixpk= 2040, nxpk= 25, iat=1567,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 THR  HN           37 THR  HB          2.80    (#   2042:25  Unique         2.24, 2.27 A)
 &rst
  ixpk= 2042, nxpk= 25, iat= 588, 592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2044    37 THR  HB          2.80    (#   2044:25  Single Ambig)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 590, 530,
 &end
#
#   73 MET  ME          104 THR  HB          3.50    (#   2045:25  Unique         1.98, 3.19 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1,1619, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1167,1168,1169,
 &end
#
#   73 MET  HB-         104 THR  HB          3.50    (#   2046:25  Unique         2.14, 2.69 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,1619, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1160,1161,
 &end
#
#   73 MET  HB+         104 THR  HB          2.80    (#   2047:25  Unique         2.14, 2.69 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,1619, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1160,1161,
 &end
#
#  104 THR  MG2         104 THR  HB          2.80    (#   2048:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,1619, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1621,1622,1623,
 &end
#
#    0 AMB  25-2:2049    17 VAL  HA          2.80    (#   2049:25  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#    0 AMB  25-2:2051     0 AMB  25-1:2051   2.80    (#   2051:25  Double Ambig)
 &rst
  ixpk= 2051, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 722,1224,1228,
 igr2= 726, 727, 380, 381,
 &end
#
#   45 SER  HN           45 SER  HB-         2.80    (#   2052:25  Unique         2.46, 2.99 A)
 &rst
  ixpk= 2052, nxpk= 25, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 726, 727,
 &end
#
#   23 SER  HN           23 SER  HB-         3.50    (#   2053:25  Unique         2.14, 2.66 A)
 &rst
  ixpk= 2053, nxpk= 25, iat= 376,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 380, 381,
 &end
#
#  139 LEU  HN          138 PRO  HA          2.80    (#   2054:25  Unique         2.65, 2.67 A)
 &rst
  ixpk= 2054, nxpk= 25, iat=2158,2154, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 SER  HA           45 SER  HB+         2.80    (#   2055:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 2055, nxpk= 25, iat= 724,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 726, 727,
 &end
#
#   45 SER  HA           45 SER  HB-         2.80    (#   2056:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 2056, nxpk= 25, iat= 724,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 726, 727,
 &end
#
#    8 SER  HA            8 SER  HB-         2.80    (#   2058:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 2058, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 138, 139,
 &end
#
#   54 VAL  MGX           8 SER  HB+         3.50    (#   2059:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 2059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2= 138, 139,
 &end
#
#    0 AMB  25-2:2060     0 AMB  25-1:2060   3.50    (#   2060:25  Double Ambig)
 &rst
  ixpk= 2060, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 138, 139, 138, 139,
 &end
#
#    0 AMB  25-2:2061     8 SER  HB-         3.50    (#   2061:25  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 138, 139,
 &end
#
#   54 VAL  MGX           8 SER  HB-         3.50    (#   2062:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 2062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2= 138, 139,
 &end
#
#   52 LEU  HB+           8 SER  HB+         4.50    (#   2063:25  Unique         4.85, 5.98 A)
 &rst
  ixpk= 2063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 829, 830,
 igr2= 138, 139,
 &end
#
#   52 LEU  HB+           8 SER  HB-         4.50    (#   2064:25  Unique         4.85, 5.98 A)
 &rst
  ixpk= 2064, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 829, 830,
 igr2= 138, 139,
 &end
#
#   20 TRP  HN           20 TRP  HA          3.50    (#   2065:25  Unique         2.77, 2.78 A)
 &rst
  ixpk= 2065, nxpk= 25, iat= 317, 319, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 SER  HA           69 SER  HB+         2.80    (#   2066:25  Unique         2.46, 2.78 A)
 &rst
  ixpk= 2066, nxpk= 25, iat=1106,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1108,1109,
 &end
#
#  138 PRO  HB+         138 PRO  HA          2.80    (#   2067:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,2154, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2151,2152,
 &end
#
#  138 PRO  HB-         138 PRO  HA          2.80    (#   2068:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,2154, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2151,2152,
 &end
#
#    0 AMB  25-2:2069   138 PRO  HA          3.50    (#   2069:25  Single Ambig)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,2154, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2148,2149,1677,1678,
 &end
#
#   69 SER  HN           69 SER  HB+         3.50    (#   2070:25  Unique         2.55, 2.87 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1108,1109,
 &end
#
#  125 THR  HN          124 VAL  HA          2.80    (#   2071:25  Unique         2.14, 2.16 A)
 &rst
  ixpk= 2071, nxpk= 25, iat=1950,1936, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 VAL  MGY          21 CYS  HA          3.50    (#   2072:25  Unique         2.20, 4.81 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1, 343, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 393, 394, 395, 397, 398, 399,
 &end
#
#  126 GLY  HN          124 VAL  HA          3.50    (#   2073:25  Unique         3.35, 3.45 A)
 &rst
  ixpk= 2073, nxpk= 25, iat=1964,1936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 VAL  HN          124 VAL  HA          3.50    (#   2074:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=1934,1936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 SER  HN            0 AMB  25-1:2075   2.80    (#   2075:25  Single Ambig)
 &rst
  ixpk= 2075, nxpk= 25, iat=1515,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1519,1520,1519,1520,
 &end
#
#   21 CYS  HN           21 CYS  HA          3.50    (#   2076:25  Unique         2.81, 2.86 A)
 &rst
  ixpk= 2076, nxpk= 25, iat= 341, 343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 ILE  HN            2 VAL  HA          2.80    (#   2077:25  Unique         2.22, 2.25 A)
 &rst
  ixpk= 2077, nxpk= 25, iat=  37,  23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  142 LEU  HA          124 VAL  HA          2.80    (#   2078:25  Unique         2.16, 2.33 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=2212,1936, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 VAL  MGX           2 VAL  HA          2.80    (#   2080:25  Unique         2.23, 3.17 A)
 &rst
  ixpk= 2080, nxpk= 25, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#  124 VAL  MGX         124 VAL  HA          2.80    (#   2081:25  Unique         2.30, 3.11 A)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1,1936, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#  124 VAL  MGY         124 VAL  HA          2.80    (#   2082:25  Unique         2.30, 3.11 A)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1,1936, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#  142 LEU  MDX         124 VAL  HA          2.80    (#   2083:25  Unique         1.97, 4.20 A)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1,1936, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  105 ASN  HN          104 THR  HA          2.80    (#   2085:25  Unique         2.44, 2.54 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=1629,1617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2087   120 VAL  HA          2.80    (#   2087:25  Single Ambig)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#   73 MET  HN          104 THR  HA          3.50    (#   2088:25  Unique         3.22, 3.36 A)
 &rst
  ixpk= 2088, nxpk= 25, iat=1156,1617, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 VAL  HN          120 VAL  HA          2.80    (#   2089:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=1869,1871, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 GLY  HN          120 VAL  HA          3.50    (#   2090:25  Unique         3.37, 3.41 A)
 &rst
  ixpk= 2090, nxpk= 25, iat=1885,1871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 SER  HN           23 SER  HA          3.50    (#   2091:25  Unique         2.85, 2.89 A)
 &rst
  ixpk= 2091, nxpk= 25, iat= 376, 378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 ALA  MB           23 SER  HA          3.50    (#   2092:25  Unique         2.81, 4.03 A)
 &rst
  ixpk= 2092, nxpk= 25, iat=  -1, 378, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 419, 420, 421,
 &end
#
#   51 PRO  HB-          51 PRO  HA          2.80    (#   2093:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2093, nxpk= 25, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 818, 819,
 &end
#
#   51 PRO  HB+          51 PRO  HA          2.80    (#   2094:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2094, nxpk= 25, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 818, 819,
 &end
#
#  125 THR  MG2         125 THR  HA          2.80    (#   2096:25  Unique         2.50, 3.23 A)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1956,1957,1958,
 &end
#
#  125 THR  HN          125 THR  HA          2.80    (#   2097:25  Unique         2.92, 2.94 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=1950,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 PHE  HD          117 TYR  HA          2.80    (#   2098:25  Unique         2.83, 4.72 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,1806, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1792,1800,
 &end
#
#  117 TYR  HD          117 TYR  HA          3.50    (#   2100:25  Unique         2.62, 3.40 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,1806, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1812,1821,
 &end
#
#  125 THR  HB          125 THR  HA          2.80    (#   2101:25  Unique         2.32, 2.36 A)
 &rst
  ixpk= 2101, nxpk= 25, iat=1954,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2102   117 TYR  HA          2.80    (#   2102:25  Single Ambig)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,1806, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#    0 AMB  25-2:2103   117 TYR  HA          2.80    (#   2103:25  Single Ambig)
 &rst
  ixpk= 2103, nxpk= 25, iat=  -1,1806, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1808,1809,1808,1809,
 &end
#
#  116 PHE  HN          116 PHE  HA          2.80    (#   2104:25  Unique         2.83, 2.84 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=1784,1786, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2105   116 PHE  HA          2.80    (#   2105:25  Single Ambig)
 &rst
  ixpk= 2105, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1851,1852,1851,1852,
 &end
#
#  116 PHE  HB-         116 PHE  HA          2.80    (#   2106:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 2106, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1788,1789,
 &end
#
#  116 PHE  HB+         116 PHE  HA          2.80    (#   2107:25  Unique         2.43, 2.74 A)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1788,1789,
 &end
#
#    0 AMB  25-2:2108    63 VAL  HA          2.80    (#   2108:25  Single Ambig)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,1008, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1010,1257,1258,
 &end
#
#   97 SER  HN           97 SER  HA          2.80    (#   2109:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=1515,1517, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  145 VAL  HN          144 TYR  HA          2.80    (#   2110:25  Unique         2.14, 2.16 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=2260,2241, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 PHE  HA          144 TYR  HA          2.80    (#   2111:25  Unique         2.15, 2.29 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=1894,2241, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2112    97 SER  HA          2.80    (#   2112:25  Single Ambig)
 &rst
  ixpk= 2112, nxpk= 25, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1519,1520,1519,1520,
 &end
#
#   19 ILE  MD1          63 VAL  HA          2.80    (#   2113:25  Unique         2.24, 3.50 A)
 &rst
  ixpk= 2113, nxpk= 25, iat=  -1,1008, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 311, 312, 313,
 &end
#
#   63 VAL  MGX          63 VAL  HA          2.80    (#   2114:25  Unique         2.22, 3.46 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=  -1,1008, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:2115    14 GLU  HA          3.50    (#   2115:25  Single Ambig)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 238, 711,
 &end
#
#  144 TYR  HN          144 TYR  HA          3.50    (#   2116:25  Unique         2.80, 2.82 A)
 &rst
  ixpk= 2116, nxpk= 25, iat=2239,2241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 LYS  HN          144 TYR  HA          4.50    (#   2117:25  Unique         3.97, 4.06 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=1912,2241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 GLU  HN          111 GLU  HA          2.80    (#   2118:25  Unique         2.76, 2.81 A)
 &rst
  ixpk= 2118, nxpk= 25, iat=1719,1721, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 VAL  HN          111 GLU  HA          3.50    (#   2119:25  Unique         3.46, 3.48 A)
 &rst
  ixpk= 2119, nxpk= 25, iat=1761,1721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 VAL  HN           89 ARG  HA          3.50    (#   2120:25  Unique         3.43, 3.52 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=1438,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 ARG  HN           44 ARG  HA          2.80    (#   2121:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 2121, nxpk= 25, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLU  HN           93 GLU  HA          2.80    (#   2122:25  Unique         2.80, 2.81 A)
 &rst
  ixpk= 2122, nxpk= 25, iat=1454,1456, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   82 VAL  HB           82 VAL  HA          2.80    (#   2124:25  Unique         2.47, 2.55 A)
 &rst
  ixpk= 2124, nxpk= 25, iat=1295,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 THR  HN          103 THR  HA          2.80    (#   2125:25  Unique         2.23, 2.24 A)
 &rst
  ixpk= 2125, nxpk= 25, iat=1615,1603, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   55 ALA  HN           54 VAL  HA          2.80    (#   2126:25  Unique         2.15, 2.15 A)
 &rst
  ixpk= 2126, nxpk= 25, iat= 884, 870, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 PHE  HN           45 SER  HA          3.50    (#   2127:25  Unique         3.13, 3.15 A)
 &rst
  ixpk= 2127, nxpk= 25, iat= 733, 724, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 LYS  HN          118 LYS  HA          3.50    (#   2128:25  Unique         2.75, 2.76 A)
 &rst
  ixpk= 2128, nxpk= 25, iat=1825,1827, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 LEU  HN           93 GLU  HA          3.50    (#   2129:25  Unique         3.54, 3.56 A)
 &rst
  ixpk= 2129, nxpk= 25, iat=1496,1456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  143 ALA  HA          103 THR  HA          2.80    (#   2130:25  Unique         2.20, 2.25 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=2231,1603, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 PHE  HA           54 VAL  HA          2.80    (#   2131:25  Unique         2.18, 2.27 A)
 &rst
  ixpk= 2131, nxpk= 25, iat=1031, 870, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 THR  MG2         103 THR  HA          2.80    (#   2133:25  Unique         2.31, 2.95 A)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,1603, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1607,1608,1609,
 &end
#
#  118 LYS  HG-         118 LYS  HA          2.80    (#   2134:25  Unique         2.03, 2.65 A)
 &rst
  ixpk= 2134, nxpk= 25, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#    0 AMB  25-2:2135   118 LYS  HA          2.80    (#   2135:25  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1829,1830,1829,1830,
 &end
#
#    0 AMB  25-2:2136    63 VAL  HA          2.80    (#   2136:25  Single Ambig)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,1008, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1012,1013,1014,1016,1017,1018, 308, 309,
 &end
#
#   82 VAL  MGX          82 VAL  HA          2.80    (#   2137:25  Unique         2.14, 3.42 A)
 &rst
  ixpk= 2137, nxpk= 25, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   94 HIS  HB-          94 HIS  HA          2.80    (#   2138:25  Unique         2.76, 2.85 A)
 &rst
  ixpk= 2138, nxpk= 25, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1473,1474,
 &end
#
#    0 AMB  25-2:2139    14 GLU  HA          3.50    (#   2139:25  Single Ambig)
 &rst
  ixpk= 2139, nxpk= 25, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 708, 709, 708, 709,
 &end
#
#   10 HIS  HB-          10 HIS  HA          2.80    (#   2140:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 173, 174,
 &end
#
#   10 HIS  HB+          10 HIS  HA          2.80    (#   2141:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2141, nxpk= 25, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 173, 174,
 &end
#
#    0 AMB  25-2:2142    89 ARG  HA          3.50    (#   2142:25  Single Ambig)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#  144 TYR  HN          103 THR  HA          3.50    (#   2143:25  Unique         3.34, 3.44 A)
 &rst
  ixpk= 2143, nxpk= 25, iat=2239,1603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 THR  HN          103 THR  HA          3.50    (#   2144:25  Unique         2.93, 2.93 A)
 &rst
  ixpk= 2144, nxpk= 25, iat=1601,1603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 GLU  HN           14 GLU  HA          2.80    (#   2145:25  Unique         2.77, 2.77 A)
 &rst
  ixpk= 2145, nxpk= 25, iat= 223, 225, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 HIS  HN           94 HIS  HA          2.80    (#   2146:25  Unique         2.80, 2.80 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=1469,1471, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2147     0 AMB  25-1:2147   2.80    (#   2147:25  Double Ambig)
 &rst
  ixpk= 2147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 602, 253,
 igr2= 604, 240, 530,
 &end
#
#   15 GLU  HN           15 GLU  HA          2.80    (#   2148:25  Unique         2.78, 2.79 A)
 &rst
  ixpk= 2148, nxpk= 25, iat= 238, 240, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2149    38 GLU  HA          3.50    (#   2149:25  Single Ambig)
 &rst
  ixpk= 2149, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 651, 663,
 &end
#
#  115 GLY  HN          111 GLU  HA          4.50    (#   2150:25  Unique         4.31, 4.48 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=1777,1721, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2151    36 ARG  HA          3.50    (#   2151:25  Single Ambig)
 &rst
  ixpk= 2151, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 588, 577,
 &end
#
#   94 HIS  HN           93 GLU  HA          3.50    (#   2152:25  Unique         3.52, 3.53 A)
 &rst
  ixpk= 2152, nxpk= 25, iat=1469,1456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 THR  HB          103 THR  HA          2.80    (#   2153:25  Unique         2.57, 2.58 A)
 &rst
  ixpk= 2153, nxpk= 25, iat=1605,1603, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 VAL  MGY          54 VAL  HA          2.80    (#   2154:25  Unique         2.15, 3.27 A)
 &rst
  ixpk= 2154, nxpk= 25, iat=  -1, 870, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HB           54 VAL  HA          3.50    (#   2155:25  Unique         2.76, 2.77 A)
 &rst
  ixpk= 2155, nxpk= 25, iat= 872, 870, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 THR  MG2          38 GLU  HA          3.50    (#   2156:25  Unique         2.91, 3.86 A)
 &rst
  ixpk= 2156, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 594, 595, 596,
 &end
#
#   18 ALA  MB           15 GLU  HA          2.80    (#   2157:25  Unique         2.95, 3.92 A)
 &rst
  ixpk= 2157, nxpk= 25, iat=  -1, 240, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 292, 293, 294,
 &end
#
#   25 ASP  HB+          22 ARG  HA          2.80    (#   2158:25  Unique         2.81, 3.59 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 407, 408,
 &end
#
#    0 AMB  25-2:2159    40 GLU  HA          2.80    (#   2159:25  Single Ambig)
 &rst
  ixpk= 2159, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 643, 644, 640, 641, 640, 641,
 &end
#
#   40 GLU  HN           40 GLU  HA          2.80    (#   2160:25  Unique         2.75, 2.76 A)
 &rst
  ixpk= 2160, nxpk= 25, iat= 636, 638, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 VAL  MGX          40 GLU  HA          2.80    (#   2161:25  Unique         2.99, 4.40 A)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   43 VAL  HB           40 GLU  HA          3.50    (#   2162:25  Unique         2.62, 2.65 A)
 &rst
  ixpk= 2162, nxpk= 25, iat= 686, 638, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 PHE  HB+          46 PHE  HA          2.80    (#   2163:25  Unique         2.79, 2.85 A)
 &rst
  ixpk= 2163, nxpk= 25, iat=  -1, 735, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 737, 738,
 &end
#
#   36 ARG  HN           36 ARG  HA          3.50    (#   2164:25  Unique         2.77, 2.88 A)
 &rst
  ixpk= 2164, nxpk= 25, iat= 564, 566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2165     0 AMB  25-1:2165   2.80    (#   2165:25  Double Ambig)
 &rst
  ixpk= 2165, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 528, 617,
 igr2= 530, 604,
 &end
#
#    0 AMB  25-2:2166     0 AMB  25-1:2166   3.50    (#   2166:25  Double Ambig)
 &rst
  ixpk= 2166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1869,1784,
 igr2=1849,1736,
 &end
#
#   36 ARG  HD+          36 ARG  HA          3.50    (#   2167:25  Unique         2.03, 3.23 A)
 &rst
  ixpk= 2167, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 574, 575,
 &end
#
#   31 LEU  MDY          36 ARG  HA          3.50    (#   2168:25  Unique         2.64, 4.76 A)
 &rst
  ixpk= 2168, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#    0 AMB  25-2:2169    36 ARG  HA          3.50    (#   2169:25  Single Ambig)
 &rst
  ixpk= 2169, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 626, 627, 628, 630, 631, 632, 497, 498, 499, 501,
       502, 503,
 &end
#
#    0 AMB  25-2:2170    47 LEU  HA          2.80    (#   2170:25  Single Ambig)
 &rst
  ixpk= 2170, nxpk= 25, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 &end
#
#   85 CYS  HB-          85 CYS  HA          3.50    (#   2171:25  Unique         2.41, 2.81 A)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,1340, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1342,1343,
 &end
#
#   46 PHE  HB-          46 PHE  HA          2.80    (#   2172:25  Unique         2.79, 2.85 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1, 735, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 737, 738,
 &end
#
#   47 LEU  HN           47 LEU  HA          3.50    (#   2173:25  Unique         2.74, 2.75 A)
 &rst
  ixpk= 2173, nxpk= 25, iat= 753, 755, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 GLU  HN          108 GLU  HA          3.50    (#   2174:25  Unique         2.76, 2.81 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=1673,1675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 GLU  HN           58 GLU  HA          3.50    (#   2175:25  Unique         2.78, 2.79 A)
 &rst
  ixpk= 2175, nxpk= 25, iat= 924, 926, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 ASP  HN           58 GLU  HA          4.50    (#   2176:25  Unique         3.61, 3.65 A)
 &rst
  ixpk= 2176, nxpk= 25, iat= 963, 926, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2177     0 AMB  25-1:2177   3.50    (#   2177:25  Double Ambig)
 &rst
  ixpk= 2177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 939, 216,
 igr2= 926, 188,
 &end
#
#    5 ILE  HG1-          5 ILE  HA          3.50    (#   2178:25  Unique         3.11, 3.48 A)
 &rst
  ixpk= 2178, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  77,  78,
 &end
#
#    5 ILE  MD1           5 ILE  HA          3.50    (#   2179:25  Unique         2.09, 2.97 A)
 &rst
  ixpk= 2179, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  80,  81,  82,
 &end
#
#    5 ILE  MG2           5 ILE  HA          2.80    (#   2180:25  Unique         2.34, 3.03 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  73,  74,  75,
 &end
#
#    0 AMB  25-2:2181     5 ILE  HA          2.80    (#   2181:25  Single Ambig)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=  77,  78, 900, 901, 902, 904, 905, 906,
 &end
#
#   91 LEU  MDX          91 LEU  HA          2.80    (#   2182:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#   79 ASP  HN           78 ILE  HA          2.80    (#   2183:25  Unique         2.31, 2.33 A)
 &rst
  ixpk= 2183, nxpk= 25, iat=1253,1236, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 GLU  HN           11 GLU  HA          3.50    (#   2184:25  Unique         3.46, 3.50 A)
 &rst
  ixpk= 2184, nxpk= 25, iat= 201, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 GLY  HA-          78 ILE  HA          2.80    (#   2185:25  Unique         2.19, 2.46 A)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,1236, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1024,1025,
 &end
#
#   94 HIS  HB+          91 LEU  HA          3.50    (#   2186:25  Unique         2.89, 3.51 A)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1473,1474,
 &end
#
#    0 AMB  25-2:2187    78 ILE  HA          2.80    (#   2187:25  Single Ambig)
 &rst
  ixpk= 2187, nxpk= 25, iat=  -1,1236, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 304, 305, 306,1240,1241,1242,
 &end
#
#  112 GLN  HN          112 GLN  HA          3.50    (#   2188:25  Unique         2.76, 2.80 A)
 &rst
  ixpk= 2188, nxpk= 25, iat=1734,1736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 ARG  HN            8 SER  HA          2.80    (#   2189:25  Unique         2.27, 2.55 A)
 &rst
  ixpk= 2189, nxpk= 25, iat= 145, 136, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 VAL  MGY          58 GLU  HA          3.50    (#   2190:25  Unique         2.14, 4.79 A)
 &rst
  ixpk= 2190, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#   57 ASN  HN           56 VAL  HA          2.80    (#   2191:25  Unique         2.26, 2.35 A)
 &rst
  ixpk= 2191, nxpk= 25, iat= 910, 896, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  129 GLU  HN          129 GLU  HA          3.50    (#   2192:25  Unique         2.91, 2.92 A)
 &rst
  ixpk= 2192, nxpk= 25, iat=2006,2008, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 PRO  HA           56 VAL  HA          2.80    (#   2193:25  Unique         2.85, 2.89 A)
 &rst
  ixpk= 2193, nxpk= 25, iat=1002, 896, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  HB           56 VAL  HA          2.80    (#   2195:25  Unique         2.48, 2.50 A)
 &rst
  ixpk= 2195, nxpk= 25, iat= 898, 896, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  MGY          56 VAL  HA          2.80    (#   2196:25  Unique         2.23, 3.45 A)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1, 896, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    5 ILE  MD1          91 LEU  HA          3.50    (#   2197:25  Unique         2.38, 3.66 A)
 &rst
  ixpk= 2197, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  80,  81,  82,
 &end
#
#  129 GLU  HG-         129 GLU  HA          2.80    (#   2198:25  Unique         2.41, 3.01 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,2008, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2013,2014,
 &end
#
#   42 LEU  HB-          42 LEU  HA          2.80    (#   2199:25  Unique         2.30, 2.44 A)
 &rst
  ixpk= 2199, nxpk= 25, iat=  -1, 665, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 667, 668,
 &end
#
#   32 SER  HN           32 SER  HA          2.80    (#   2200:25  Unique         2.76, 2.83 A)
 &rst
  ixpk= 2200, nxpk= 25, iat= 507, 509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 ILE  HN           77 PHE  HA          2.80    (#   2201:25  Unique         2.25, 2.28 A)
 &rst
  ixpk= 2201, nxpk= 25, iat=1234,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    8 SER  HN            8 SER  HA          2.80    (#   2202:25  Unique         2.85, 2.89 A)
 &rst
  ixpk= 2202, nxpk= 25, iat= 134, 136, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 SER  HB-          32 SER  HA          2.80    (#   2203:25  Unique         2.36, 2.80 A)
 &rst
  ixpk= 2203, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 511, 512,
 &end
#
#   41 ASP  HB+          41 ASP  HA          2.80    (#   2204:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 2204, nxpk= 25, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 655, 656,
 &end
#
#   41 ASP  HB-          41 ASP  HA          2.80    (#   2205:25  Unique         2.81, 2.85 A)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 655, 656,
 &end
#
#    0 AMB  25-2:2206     0 AMB  25-1:2206   2.80    (#   2206:25  Double Ambig)
 &rst
  ixpk= 2206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 190, 191, 190, 191, 928, 929, 928, 929,
 igr2= 188, 926,
 &end
#
#   44 ARG  HN           41 ASP  HA          3.50    (#   2207:25  Unique         3.35, 3.40 A)
 &rst
  ixpk= 2207, nxpk= 25, iat= 698, 653, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2208    39 LEU  HA          3.50    (#   2208:25  Single Ambig)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 663, 651,
 &end
#
#   39 LEU  HN           39 LEU  HA          3.50    (#   2209:25  Unique         2.75, 2.80 A)
 &rst
  ixpk= 2209, nxpk= 25, iat= 617, 619, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 LEU  HN           42 LEU  HA          2.80    (#   2210:25  Unique         2.75, 2.75 A)
 &rst
  ixpk= 2210, nxpk= 25, iat= 663, 665, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2211    41 ASP  HA          4.50    (#   2211:25  Single Ambig)
 &rst
  ixpk= 2211, nxpk= 25, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 708, 709, 708, 709,
 &end
#
#  132 ASP  HB+         132 ASP  HA          2.80    (#   2212:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 2212, nxpk= 25, iat=  -1,2051, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2053,2054,
 &end
#
#   77 PHE  HB+          77 PHE  HA          2.80    (#   2213:25  Unique         2.51, 2.78 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1218,1219,
 &end
#
#   39 LEU  HB+          39 LEU  HA          2.80    (#   2214:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2214, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 621, 622,
 &end
#
#    0 AMB  25-2:2215    39 LEU  HA          2.80    (#   2215:25  Single Ambig)
 &rst
  ixpk= 2215, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 670, 667, 668,
 &end
#
#   39 LEU  HB-          39 LEU  HA          3.50    (#   2216:25  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 621, 622,
 &end
#
#   39 LEU  HG           39 LEU  HA          3.50    (#   2217:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2217, nxpk= 25, iat= 624, 619, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 LEU  MDX          39 LEU  HA          2.80    (#   2218:25  Unique         2.00, 3.88 A)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 672, 673, 674, 676, 677, 678,
 &end
#
#   39 LEU  MDX          39 LEU  HA          2.80    (#   2219:25  Unique         2.05, 3.87 A)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   39 LEU  MDY          39 LEU  HA          3.50    (#   2220:25  Unique         2.05, 3.87 A)
 &rst
  ixpk= 2220, nxpk= 25, iat=  -1, 619, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:2221   132 ASP  HA          3.50    (#   2221:25  Single Ambig)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,2051, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2061,2080,
 &end
#
#    8 SER  HB-           8 SER  HA          2.80    (#   2222:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 2222, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 138, 139,
 &end
#
#   33 ALA  HN           32 SER  HA          2.80    (#   2223:25  Unique         2.31, 2.42 A)
 &rst
  ixpk= 2223, nxpk= 25, iat= 518, 509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2224    25 ASP  HA          2.80    (#   2224:25  Single Ambig)
 &rst
  ixpk= 2224, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 403, 577,
 &end
#
#   54 VAL  HA           65 PHE  HA          2.80    (#   2225:25  Unique         2.18, 2.27 A)
 &rst
  ixpk= 2225, nxpk= 25, iat= 870,1031, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 LEU  HN           96 LEU  HA          2.80    (#   2226:25  Unique         2.78, 2.79 A)
 &rst
  ixpk= 2226, nxpk= 25, iat=1496,1498, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2227    41 ASP  HA          2.80    (#   2227:25  Single Ambig)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 651, 663,
 &end
#
#   26 ALA  HN           25 ASP  HA          3.50    (#   2228:25  Unique         3.19, 3.44 A)
 &rst
  ixpk= 2228, nxpk= 25, iat= 415, 405, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 PHE  HB+          65 PHE  HA          2.80    (#   2229:25  Unique         2.43, 2.45 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1033,1034,
 &end
#
#   65 PHE  HB-          65 PHE  HA          2.80    (#   2230:25  Unique         2.43, 2.45 A)
 &rst
  ixpk= 2230, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1033,1034,
 &end
#
#    0 AMB  25-2:2233    65 PHE  HA          3.50    (#   2233:25  Single Ambig)
 &rst
  ixpk= 2233, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#   96 LEU  HG           96 LEU  HA          3.50    (#   2234:25  Unique         2.75, 2.78 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=1503,1498, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 LEU  HB-          96 LEU  HA          2.80    (#   2235:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,1498, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1500,1501,
 &end
#
#  102 LEU  MDY          96 LEU  HA          3.50    (#   2236:25  Unique         2.00, 4.23 A)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1,1498, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#   96 LEU  HB+          96 LEU  HA          2.80    (#   2237:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,1498, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1500,1501,
 &end
#
#    0 AMB  25-2:2238    96 LEU  HA          2.80    (#   2238:25  Single Ambig)
 &rst
  ixpk= 2238, nxpk= 25, iat=  -1,1498, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#   65 PHE  HN           65 PHE  HA          4.50    (#   2239:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2239, nxpk= 25, iat=1029,1031, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 ALA  HN           65 PHE  HA          3.50    (#   2240:25  Unique         3.02, 3.10 A)
 &rst
  ixpk= 2240, nxpk= 25, iat= 884,1031, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 VAL  HN           81 ASP  HA          3.50    (#   2241:25  Unique         3.42, 3.50 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=1291,1281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  132 ASP  HN          132 ASP  HA          2.80    (#   2242:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 2242, nxpk= 25, iat=2049,2051, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2245   109 GLN  HA          5.50    (#   2245:25  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 25, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2133,2138, 478, 482,1700,1701,
 &end
#
#   98 MET  HN           98 MET  HA          2.80    (#   2246:25  Unique         2.88, 2.89 A)
 &rst
  ixpk= 2246, nxpk= 25, iat=1526,1528, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  109 GLN  HB-         109 GLN  HA          2.80    (#   2247:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1692,1693,
 &end
#
#    0 AMB  25-2:2248    96 LEU  HA          4.50    (#   2248:25  Single Ambig)
 &rst
  ixpk= 2248, nxpk= 25, iat=  -1,1498, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1586,1587,1560,1561,1530,1531,
 &end
#
#   18 ALA  MB           18 ALA  HA          2.80    (#   2249:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 292, 293, 294,
 &end
#
#   98 MET  HG+          98 MET  HA          2.80    (#   2250:25  Unique         2.73, 2.98 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1533,1534,
 &end
#
#   98 MET  HB+          98 MET  HA          2.80    (#   2251:25  Unique         2.37, 2.69 A)
 &rst
  ixpk= 2251, nxpk= 25, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1530,1531,
 &end
#
#    0 AMB  25-2:2252     0 AMB  25-1:2252   2.80    (#   2252:25  Double Ambig)
 &rst
  ixpk= 2252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 898,1530,1531,
 igr2= 965,1528,
 &end
#
#    0 AMB  25-2:2253   109 GLN  HA          4.50    (#   2253:25  Single Ambig)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1700,1701,1719,
 &end
#
#   99 ALA  HN           98 MET  HA          3.50    (#   2254:25  Unique         3.37, 3.39 A)
 &rst
  ixpk= 2254, nxpk= 25, iat=1543,1528, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  HN           18 ALA  HA          2.80    (#   2255:25  Unique         2.80, 2.81 A)
 &rst
  ixpk= 2255, nxpk= 25, iat= 288, 290, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 ASP  HN           29 ASP  HA          2.80    (#   2256:25  Unique         2.75, 2.85 A)
 &rst
  ixpk= 2256, nxpk= 25, iat= 456, 458, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   21 CYS  HN           18 ALA  HA          3.50    (#   2257:25  Unique         3.49, 3.52 A)
 &rst
  ixpk= 2257, nxpk= 25, iat= 341, 290, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 ALA  HN           33 ALA  HA          2.80    (#   2258:25  Unique         2.76, 2.78 A)
 &rst
  ixpk= 2258, nxpk= 25, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2259    18 ALA  HA          4.50    (#   2259:25  Single Ambig)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 352, 272,
 &end
#
#   98 MET  HN           95 ALA  HA          4.50    (#   2260:25  Unique         3.42, 3.45 A)
 &rst
  ixpk= 2260, nxpk= 25, iat=1526,1488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 SER  HN           95 ALA  HA          5.50    (#   2261:25  Unique         3.77, 3.82 A)
 &rst
  ixpk= 2261, nxpk= 25, iat=1515,1488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2262    95 ALA  HA          5.50    (#   2262:25  Single Ambig)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1543,1469,
 &end
#
#   95 ALA  HN           95 ALA  HA          2.80    (#   2263:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=1486,1488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 LEU  HN           95 ALA  HA          4.50    (#   2264:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 2264, nxpk= 25, iat=1496,1488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 LEU  HN           29 ASP  HA          4.50    (#   2265:25  Unique         3.57, 4.21 A)
 &rst
  ixpk= 2265, nxpk= 25, iat= 488, 458, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 PHE  HN           29 ASP  HA          4.50    (#   2266:25  Unique         3.15, 3.38 A)
 &rst
  ixpk= 2266, nxpk= 25, iat= 468, 458, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 ALA  MB           71 GLN  HA          2.80    (#   2267:25  Unique         1.99, 2.41 A)
 &rst
  ixpk= 2267, nxpk= 25, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1547,1548,1549,
 &end
#
#   60 ASP  HB+          60 ASP  HA          2.80    (#   2268:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 2268, nxpk= 25, iat=  -1, 965, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 967, 968,
 &end
#
#    0 AMB  25-2:2269     0 AMB  25-1:2269   5.50    (#   2269:25  Double Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1537,1538,1539,1547,1548,1549,  93,  94,
 igr2=1528, 965,
 &end
#
#    0 AMB  25-2:2270     0 AMB  25-1:2270   2.80    (#   2270:25  Double Ambig)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 568, 569,   8,   9, 928, 929,
 igr2= 520,   6,
 &end
#
#   36 ARG  HN           33 ALA  HA          3.50    (#   2271:25  Unique         3.22, 3.44 A)
 &rst
  ixpk= 2271, nxpk= 25, iat= 564, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 GLN  HN           71 GLN  HA          3.50    (#   2272:25  Unique         2.27, 2.78 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=1122,1124, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 ARG  HN            7 ARG  HA          3.50    (#   2273:25  Unique         2.92, 2.93 A)
 &rst
  ixpk= 2273, nxpk= 25, iat= 110, 112, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 SER  HN            7 ARG  HA          2.80    (#   2274:25  Unique         2.22, 2.23 A)
 &rst
  ixpk= 2274, nxpk= 25, iat= 134, 112, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 LEU  MDX          31 LEU  HA          2.80    (#   2275:25  Unique         2.16, 3.98 A)
 &rst
  ixpk= 2275, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   95 ALA  MB           95 ALA  HA          2.80    (#   2276:25  Unique         2.28, 2.63 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1490,1491,1492,
 &end
#
#   98 MET  ME           95 ALA  HA          2.80    (#   2278:25  Unique         2.04, 2.91 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1537,1538,1539,
 &end
#
#   68 LEU  MDY          95 ALA  HA          2.80    (#   2279:25  Unique         1.97, 3.89 A)
 &rst
  ixpk= 2279, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#    1 MET  HG+           1 MET  HA          3.50    (#   2280:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#    1 MET  HG-           1 MET  HA          4.50    (#   2281:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#  109 GLN  HG+         109 GLN  HA          2.80    (#   2282:25  Unique         2.31, 2.82 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1695,1696,
 &end
#
#  109 GLN  HG-         109 GLN  HA          2.80    (#   2283:25  Unique         2.31, 2.82 A)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1695,1696,
 &end
#
#   21 CYS  HB+          18 ALA  HA          2.80    (#   2284:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 2284, nxpk= 25, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 345, 346,
 &end
#
#    0 AMB  25-2:2285    18 ALA  HA          3.50    (#   2285:25  Single Ambig)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#   30 PHE  HB+          30 PHE  HA          2.80    (#   2286:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 2286, nxpk= 25, iat=  -1, 470, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 472, 473,
 &end
#
#   30 PHE  HB-          30 PHE  HA          2.80    (#   2287:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 2287, nxpk= 25, iat=  -1, 470, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 472, 473,
 &end
#
#   29 ASP  HB-          29 ASP  HA          2.80    (#   2288:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 460, 461,
 &end
#
#   29 ASP  HB+          29 ASP  HA          2.80    (#   2289:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1, 458, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 460, 461,
 &end
#
#  116 PHE  HB-         113 ALA  HA          2.80    (#   2290:25  Unique         2.18, 2.81 A)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1788,1789,
 &end
#
#  116 PHE  HB+         113 ALA  HA          2.80    (#   2291:25  Unique         2.18, 2.81 A)
 &rst
  ixpk= 2291, nxpk= 25, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1788,1789,
 &end
#
#    0 AMB  25-2:2292   101 GLU  HA          2.80    (#   2292:25  Single Ambig)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1,1569, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1571,1572,1574,1575,
 &end
#
#   52 LEU  MDX          52 LEU  HA          3.50    (#   2293:25  Unique         3.86, 4.74 A)
 &rst
  ixpk= 2293, nxpk= 25, iat=  -1, 827, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#  136 PRO  HD+         135 LYS  HA          2.80    (#   2294:25  Unique         2.25, 2.29 A)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2110,2111,
 &end
#
#  136 PRO  HD-         135 LYS  HA          3.50    (#   2295:25  Unique         2.25, 2.29 A)
 &rst
  ixpk= 2295, nxpk= 25, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2110,2111,
 &end
#
#  135 LYS  HB+         135 LYS  HA          5.50    (#   2296:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2091,2092,
 &end
#
#   27 THR  MG2          26 ALA  HA          5.50    (#   2297:25  Unique         4.30, 5.60 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=  -1, 417, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 431, 432, 433,
 &end
#
#  135 LYS  HD+         135 LYS  HA          4.50    (#   2298:25  Unique         4.34, 4.98 A)
 &rst
  ixpk= 2298, nxpk= 25, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2097,2098,
 &end
#
#  135 LYS  HD-         135 LYS  HA          4.50    (#   2299:25  Unique         4.34, 4.98 A)
 &rst
  ixpk= 2299, nxpk= 25, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2097,2098,
 &end
#
#   19 ILE  MG2          79 ASP  HA          2.80    (#   2300:25  Unique         2.34, 3.57 A)
 &rst
  ixpk= 2300, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 304, 305, 306,
 &end
#
#    0 AMB  25-2:2301    79 ASP  HA          4.50    (#   2301:25  Single Ambig)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 308, 309,1297,1298,1299,1301,1302,1303,
 &end
#
#   79 ASP  HB+          79 ASP  HA          3.50    (#   2302:25  Unique         2.27, 2.78 A)
 &rst
  ixpk= 2302, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1257,1258,
 &end
#
#   79 ASP  HB-          79 ASP  HA          2.80    (#   2303:25  Unique         2.27, 2.78 A)
 &rst
  ixpk= 2303, nxpk= 25, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1257,1258,
 &end
#
#  147 ALA  MB          147 ALA  HA          2.80    (#   2304:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2304, nxpk= 25, iat=  -1,2285, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2287,2288,2289,
 &end
#
#    0 AMB  25-2:2306    61 GLN  HA          2.80    (#   2306:25  Single Ambig)
 &rst
  ixpk= 2306, nxpk= 25, iat=  -1, 977, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 979, 980, 979, 980,
 &end
#
#    0 AMB  25-2:2307     0 AMB  25-1:2307   2.80    (#   2307:25  Double Ambig)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 996, 997, 979, 980, 979, 980,
 igr2= 993, 994, 993, 994, 993, 994,
 &end
#
#   62 PRO  HG-          62 PRO  HD+         2.80    (#   2308:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 996, 997,
 igr2= 993, 994,
 &end
#
#   62 PRO  HG-          62 PRO  HD-         2.80    (#   2309:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 996, 997,
 igr2= 993, 994,
 &end
#
#    0 AMB  25-2:2310     0 AMB  25-1:2310   3.50    (#   2310:25  Double Ambig)
 &rst
  ixpk= 2310, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 359, 360, 356, 357,
 igr2=1266,1267,1266,1267,
 &end
#
#    0 AMB  25-2:2311    62 PRO  HD-         2.80    (#   2311:25  Single Ambig)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 996, 997, 979, 980, 979, 980,
 igr2= 993, 994,
 &end
#
#    0 AMB  25-2:2312    80 PRO  HD-         3.50    (#   2312:25  Single Ambig)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 359, 360, 356, 357,
 igr2=1266,1267,
 &end
#
#    0 AMB  25-2:2313     0 AMB  25-1:2313   3.50    (#   2313:25  Double Ambig)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 982, 983, 982, 983,
 igr2= 993, 994, 993, 994,
 &end
#
#    0 AMB  25-2:2314     0 AMB  25-1:2314   3.50    (#   2314:25  Double Ambig)
 &rst
  ixpk= 2314, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 779, 780, 257, 258, 790, 791,
 igr2= 773, 774, 773, 774, 773, 774,
 &end
#
#    0 AMB  25-2:2315    50 ALA  HA          3.50    (#   2315:25  Single Ambig)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 815, 816, 815, 816, 818, 819,
 &end
#
#   51 PRO  HB-          50 ALA  HA          4.50    (#   2316:25  Unique         4.84, 5.16 A)
 &rst
  ixpk= 2316, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 818, 819,
 &end
#
#   50 ALA  MB           50 ALA  HA          2.80    (#   2317:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 2317, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  25-2:2321     0 AMB  25-1:2321   3.50    (#   2321:25  Double Ambig)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2= 812, 813, 812, 813,
 &end
#
#   50 ALA  MB           51 PRO  HD+         3.50    (#   2322:25  Unique         2.69, 4.09 A)
 &rst
  ixpk= 2322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 805, 806, 807,
 igr2= 812, 813,
 &end
#
#    0 AMB  25-2:2323    51 PRO  HD-         2.80    (#   2323:25  Single Ambig)
 &rst
  ixpk= 2323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 igr2= 812, 813,
 &end
#
#   50 ALA  MB           51 PRO  HD-         2.80    (#   2324:25  Unique         2.69, 4.09 A)
 &rst
  ixpk= 2324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 805, 806, 807,
 igr2= 812, 813,
 &end
#
#  100 PRO  HB+         100 PRO  HD-         3.50    (#   2325:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1560,1561,
 igr2=1554,1555,
 &end
#
#    0 AMB  25-2:2327     0 AMB  25-1:2327   4.50    (#   2327:25  Double Ambig)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1835,1836,1857,1858,
 igr2=1779,1780,1779,1780,
 &end
#
#    0 AMB  25-2:2328   115 GLY  HA-         4.50    (#   2328:25  Single Ambig)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1835,1836,1857,1858,
 igr2=1779,1780,
 &end
#
#  114 VAL  MGY         115 GLY  HA+         4.50    (#   2329:25  Unique         3.45, 5.83 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1767,1768,1769,1771,1772,1773,
 igr2=1779,1780,
 &end
#
#    0 AMB  25-2:2330     0 AMB  25-1:2330   3.50    (#   2330:25  Double Ambig)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.04, r4= 7.79,
 igr1= 888, 889, 890, 308, 309,1012,1013,1014,1016,1017,
      1018,
 igr2=1024,1025,1024,1025,1024,1025,
 &end
#
#    0 AMB  25-2:2331     0 AMB  25-1:2331   2.80    (#   2331:25  Double Ambig)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 304, 305, 306,1240,1241,1242,
 igr2=1024,1025,1024,1025,
 &end
#
#   78 ILE  MD1          64 GLY  HA+         3.50    (#   2332:25  Unique         3.61, 5.19 A)
 &rst
  ixpk= 2332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1247,1248,1249,
 igr2=1024,1025,
 &end
#
#  114 VAL  MGY         115 GLY  HA-         4.50    (#   2333:25  Unique         3.45, 5.83 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1767,1768,1769,1771,1772,1773,
 igr2=1779,1780,
 &end
#
#    0 AMB  25-2:2334    64 GLY  HA-         3.50    (#   2334:25  Single Ambig)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1= 888, 889, 890, 308, 309,1012,1013,1014,1016,1017,
      1018,
 igr2=1024,1025,
 &end
#
#   78 ILE  MD1          64 GLY  HA-         3.50    (#   2335:25  Unique         3.61, 5.19 A)
 &rst
  ixpk= 2335, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1247,1248,1249,
 igr2=1024,1025,
 &end
#
#  130 VAL  HB          134 GLY  HA-         2.80    (#   2337:25  Unique         2.72, 3.62 A)
 &rst
  ixpk= 2337, nxpk= 25, iat=2025,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2082,2083,
 &end
#
#  130 VAL  MGX         134 GLY  HA-         2.80    (#   2338:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2027,2028,2029,2031,2032,2033,
 igr2=2082,2083,
 &end
#
#  130 VAL  MGY         134 GLY  HA-         3.50    (#   2339:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 2339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2027,2028,2029,2031,2032,2033,
 igr2=2082,2083,
 &end
#
#    0 AMB  25-2:2340     0 AMB  25-1:2340   4.50    (#   2340:25  Double Ambig)
 &rst
  ixpk= 2340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1383,1384,1383,1384,
 igr2=1351,1352,1351,1352,
 &end
#
#    0 AMB  25-2:2341     0 AMB  25-1:2341   4.50    (#   2341:25  Double Ambig)
 &rst
  ixpk= 2341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1940,1941,1942,1944,1945,1946,1956,1957,1958,
 igr2=1966,1967,1966,1967,
 &end
#
#  130 VAL  HB          134 GLY  HA+         2.80    (#   2342:25  Unique         2.72, 3.62 A)
 &rst
  ixpk= 2342, nxpk= 25, iat=2025,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2082,2083,
 &end
#
#  130 VAL  MGX         134 GLY  HA+         2.80    (#   2343:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2027,2028,2029,2031,2032,2033,
 igr2=2082,2083,
 &end
#
#  130 VAL  MGY         134 GLY  HA+         4.50    (#   2344:25  Unique         2.33, 4.38 A)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2027,2028,2029,2031,2032,2033,
 igr2=2082,2083,
 &end
#
#    0 AMB  25-2:2345     0 AMB  25-1:2345   4.50    (#   2345:25  Double Ambig)
 &rst
  ixpk= 2345, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.46, r4= 9.21,
 igr1=1940,1941,1942,1944,1945,1946,2097,2098,1956,1957,
      1958,
 igr2=1966,1967,2082,2083,
 &end
#
#    1 MET  ME           57 ASN  HB+         4.50    (#   2347:25  Unique         2.09, 3.48 A)
 &rst
  ixpk= 2347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  15,  16,  17,
 igr2= 914, 915,
 &end
#
#    0 AMB  25-2:2348     0 AMB  25-1:2348   4.50    (#   2348:25  Double Ambig)
 &rst
  ixpk= 2348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1297,1298,1299,1301,1302,1303,1012,1013,1014,1016,
      1017,1018,
 igr2= 914, 915, 914, 915,
 &end
#
#   36 ARG  HA           36 ARG  HD+         3.50    (#   2349:25  Unique         2.03, 3.23 A)
 &rst
  ixpk= 2349, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 574, 575,
 &end
#
#   36 ARG  HA           36 ARG  HD-         3.50    (#   2350:25  Unique         2.03, 3.23 A)
 &rst
  ixpk= 2350, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 574, 575,
 &end
#
#   24 VAL  MGX          36 ARG  HD-         4.50    (#   2351:25  Unique         2.00, 4.68 A)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 393, 394, 395, 397, 398, 399,
 igr2= 574, 575,
 &end
#
#   36 ARG  HE           36 ARG  HD+         4.50    (#   2352:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 2352, nxpk= 25, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 574, 575,
 &end
#
#  106 VAL  HN          105 ASN  HB+         4.50    (#   2353:25  Unique         2.38, 3.24 A)
 &rst
  ixpk= 2353, nxpk= 25, iat=1643,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1633,1634,
 &end
#
#   36 ARG  HE           36 ARG  HD-         3.50    (#   2354:25  Unique         2.27, 2.64 A)
 &rst
  ixpk= 2354, nxpk= 25, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 574, 575,
 &end
#
#   65 PHE  HA           65 PHE  HB+         3.50    (#   2355:25  Unique         2.43, 2.45 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1033,1034,
 &end
#
#   66 MET  HN           65 PHE  HB+         3.50    (#   2356:25  Unique         2.71, 3.46 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1033,1034,
 &end
#
#   66 MET  HN           65 PHE  HB-         3.50    (#   2357:25  Unique         2.71, 3.46 A)
 &rst
  ixpk= 2357, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1033,1034,
 &end
#
#   31 LEU  HA           31 LEU  HB-         3.50    (#   2358:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 2358, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#  116 PHE  HD          116 PHE  HA          4.50    (#   2360:25  Unique         3.18, 3.58 A)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1792,1800,
 &end
#
#  117 TYR  HD          116 PHE  HA          4.50    (#   2361:25  Unique         4.68, 6.49 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1812,1821,
 &end
#
#   43 VAL  HN           40 GLU  HA          4.50    (#   2362:25  Unique         3.75, 3.78 A)
 &rst
  ixpk= 2362, nxpk= 25, iat= 682, 638, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASP  HN           40 GLU  HA          4.50    (#   2363:25  Unique         3.47, 3.48 A)
 &rst
  ixpk= 2363, nxpk= 25, iat= 651, 638, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 VAL  HN          113 ALA  HA          3.50    (#   2364:25  Unique         3.51, 3.51 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=1761,1753, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 TYR  HN          113 ALA  HA          3.50    (#   2365:25  Unique         3.42, 3.50 A)
 &rst
  ixpk= 2365, nxpk= 25, iat=1804,1753, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 GLU  HN           48 PRO  HD-         3.50    (#   2366:25  Unique         2.95, 3.49 A)
 &rst
  ixpk= 2366, nxpk= 25, iat= 786,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 773, 774,
 &end
#
#   50 ALA  HN           50 ALA  HA          2.80    (#   2367:25  Unique         2.95, 2.95 A)
 &rst
  ixpk= 2367, nxpk= 25, iat= 801, 803, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 GLU  HN           50 ALA  HA          4.50    (#   2368:25  Unique         4.51, 4.54 A)
 &rst
  ixpk= 2368, nxpk= 25, iat= 786, 803, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 GLU  HN          100 PRO  HD+         3.50    (#   2369:25  Unique         2.65, 3.24 A)
 &rst
  ixpk= 2369, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#   99 ALA  HN          100 PRO  HD+         5.50    (#   2370:25  Unique         3.54, 3.95 A)
 &rst
  ixpk= 2370, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1554,1555,
 &end
#
#  101 GLU  HN          100 PRO  HD-         3.50    (#   2371:25  Unique         2.65, 3.24 A)
 &rst
  ixpk= 2371, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#   99 ALA  HN          100 PRO  HD-         4.50    (#   2372:25  Unique         3.54, 3.95 A)
 &rst
  ixpk= 2372, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1554,1555,
 &end
#
#   13 GLY  HN           13 GLY  HA+         2.80    (#   2373:25  Unique         2.30, 2.53 A)
 &rst
  ixpk= 2373, nxpk= 25, iat= 216,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 218, 219,
 &end
#
#   13 GLY  HN           13 GLY  HA-         2.80    (#   2374:25  Unique         2.30, 2.53 A)
 &rst
  ixpk= 2374, nxpk= 25, iat= 216,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 218, 219,
 &end
#
#   14 GLU  HN           13 GLY  HA+         3.50    (#   2375:25  Unique         2.78, 3.23 A)
 &rst
  ixpk= 2375, nxpk= 25, iat= 223,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 218, 219,
 &end
#
#   14 GLU  HN           13 GLY  HA-         3.50    (#   2376:25  Unique         2.78, 3.23 A)
 &rst
  ixpk= 2376, nxpk= 25, iat= 223,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 218, 219,
 &end
#
#   88 GLY  HN           88 GLY  HA+         2.80    (#   2377:25  Unique         2.29, 2.53 A)
 &rst
  ixpk= 2377, nxpk= 25, iat=1372,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1374,1375,
 &end
#
#   71 GLN  HN           70 GLY  HA+         2.80    (#   2378:25  Unique         2.25, 2.94 A)
 &rst
  ixpk= 2378, nxpk= 25, iat=1122,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1117,1118,
 &end
#
#   70 GLY  HN           70 GLY  HA+         4.50    (#   2379:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 2379, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1117,1118,
 &end
#
#  115 GLY  HN          115 GLY  HA+         2.80    (#   2380:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2380, nxpk= 25, iat=1777,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1779,1780,
 &end
#
#  115 GLY  HN          115 GLY  HA-         2.80    (#   2381:25  Unique         2.35, 2.64 A)
 &rst
  ixpk= 2381, nxpk= 25, iat=1777,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1779,1780,
 &end
#
#   70 GLY  HN           70 GLY  HA-         4.50    (#   2382:25  Unique         2.30, 2.60 A)
 &rst
  ixpk= 2382, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1117,1118,
 &end
#
#   71 GLN  HN           70 GLY  HA-         2.80    (#   2383:25  Unique         2.25, 2.94 A)
 &rst
  ixpk= 2383, nxpk= 25, iat=1122,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1117,1118,
 &end
#
#  116 PHE  HN          115 GLY  HA+         3.50    (#   2384:25  Unique         2.92, 3.23 A)
 &rst
  ixpk= 2384, nxpk= 25, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1779,1780,
 &end
#
#  116 PHE  HN          115 GLY  HA-         3.50    (#   2385:25  Unique         2.92, 3.23 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1779,1780,
 &end
#
#   79 ASP  HN           64 GLY  HA-         4.50    (#   2386:25  Unique         3.34, 3.58 A)
 &rst
  ixpk= 2386, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1024,1025,
 &end
#
#  122 PHE  HN          121 GLY  HA+         3.50    (#   2387:25  Unique         3.07, 3.26 A)
 &rst
  ixpk= 2387, nxpk= 25, iat=1892,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1887,1888,
 &end
#
#  122 PHE  HN          121 GLY  HA-         3.50    (#   2388:25  Unique         3.07, 3.26 A)
 &rst
  ixpk= 2388, nxpk= 25, iat=1892,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1887,1888,
 &end
#
#  121 GLY  HN          121 GLY  HA-         2.80    (#   2389:25  Unique         2.46, 2.73 A)
 &rst
  ixpk= 2389, nxpk= 25, iat=1885,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1887,1888,
 &end
#
#  146 GLY  HN          121 GLY  HA+         4.50    (#   2390:25  Unique         2.42, 2.88 A)
 &rst
  ixpk= 2390, nxpk= 25, iat=2276,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1887,1888,
 &end
#
#  121 GLY  HN          121 GLY  HA+         2.80    (#   2391:25  Unique         2.46, 2.73 A)
 &rst
  ixpk= 2391, nxpk= 25, iat=1885,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1887,1888,
 &end
#
#  134 GLY  HN          134 GLY  HA-         2.80    (#   2392:25  Unique         2.31, 2.66 A)
 &rst
  ixpk= 2392, nxpk= 25, iat=2080,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2082,2083,
 &end
#
#  126 GLY  HN          126 GLY  HA+         2.80    (#   2393:25  Unique         2.51, 2.75 A)
 &rst
  ixpk= 2393, nxpk= 25, iat=1964,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1966,1967,
 &end
#
#    0 AMB  25-2:2394     0 AMB  25-1:2394   2.80    (#   2394:25  Double Ambig)
 &rst
  ixpk= 2394, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1971,2080,
 igr2=1966,1967,2082,2083,
 &end
#
#  126 GLY  HN          126 GLY  HA-         2.80    (#   2395:25  Unique         2.51, 2.75 A)
 &rst
  ixpk= 2395, nxpk= 25, iat=1964,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1966,1967,
 &end
#
#   52 LEU  HN           52 LEU  HB+         3.50    (#   2396:25  Unique         3.10, 3.38 A)
 &rst
  ixpk= 2396, nxpk= 25, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 829, 830,
 &end
#
#   52 LEU  HN           52 LEU  HB-         4.50    (#   2397:25  Unique         3.10, 3.38 A)
 &rst
  ixpk= 2397, nxpk= 25, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 829, 830,
 &end
#
#   53 TRP  HN           52 LEU  HB-         4.50    (#   2398:25  Unique         1.97, 2.76 A)
 &rst
  ixpk= 2398, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 829, 830,
 &end
#
#  105 ASN  HN          105 ASN  HB-         3.50    (#   2399:25  Unique         2.61, 3.31 A)
 &rst
  ixpk= 2399, nxpk= 25, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1633,1634,
 &end
#
#  126 GLY  HN          141 ASN  HB+         3.50    (#   2400:25  Unique         2.87, 3.53 A)
 &rst
  ixpk= 2400, nxpk= 25, iat=1964,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2200,2201,
 &end
#
#  142 LEU  HN          141 ASN  HB+         3.50    (#   2401:25  Unique         3.43, 4.03 A)
 &rst
  ixpk= 2401, nxpk= 25, iat=2210,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2200,2201,
 &end
#
#  141 ASN  HN          141 ASN  HB+         3.50    (#   2402:25  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2402, nxpk= 25, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2200,2201,
 &end
#
#  141 ASN  HD2+        141 ASN  HB+         3.50    (#   2403:25  Unique         2.67, 3.50 A)
 &rst
  ixpk= 2403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2205,2206,
 igr2=2200,2201,
 &end
#
#  141 ASN  HD2-        141 ASN  HB+         4.50    (#   2404:25  Unique         2.67, 3.50 A)
 &rst
  ixpk= 2404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2205,2206,
 igr2=2200,2201,
 &end
#
#    0 AMB  25-2:2405     0 AMB  25-1:2405   3.50    (#   2405:25  Double Ambig)
 &rst
  ixpk= 2405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1668,1669,1668,1669,
 igr2=2127,2128,2127,2128,
 &end
#
#  137 TYR  HN            0 AMB  25-1:2406   3.50    (#   2406:25  Single Ambig)
 &rst
  ixpk= 2406, nxpk= 25, iat=2123,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=2127,2128,2127,2128,
 &end
#
#  137 TYR  HD            0 AMB  25-1:2408   4.50    (#   2408:25  Single Ambig)
 &rst
  ixpk= 2408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2131,2140,
 igr2=2127,2128,2127,2128,
 &end
#
#   26 ALA  HN           25 ASP  HB-         3.50    (#   2409:25  Unique         2.86, 3.46 A)
 &rst
  ixpk= 2409, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#    0 AMB  25-2:2410     0 AMB  25-1:2410   4.50    (#   2410:25  Double Ambig)
 &rst
  ixpk= 2410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1582,2249,2254,
 igr2=2243,2244,2243,2244,
 &end
#
#  144 TYR  HD          144 TYR  HB+         4.50    (#   2412:25  Unique         2.30, 3.05 A)
 &rst
  ixpk= 2412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2247,2256,
 igr2=2243,2244,
 &end
#
#   20 TRP  HN           19 ILE  HB          3.50    (#   2414:25  Unique         2.46, 2.49 A)
 &rst
  ixpk= 2414, nxpk= 25, iat= 317, 302, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 LEU  HN           66 MET  HG+         4.50    (#   2415:25  Unique         3.01, 3.99 A)
 &rst
  ixpk= 2415, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1056,1057,
 &end
#
#   95 ALA  HN           94 HIS  HB+         3.50    (#   2416:25  Unique         2.64, 2.99 A)
 &rst
  ixpk= 2416, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1473,1474,
 &end
#
#   95 ALA  HN           94 HIS  HB-         4.50    (#   2417:25  Unique         2.64, 2.99 A)
 &rst
  ixpk= 2417, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1473,1474,
 &end
#
#   54 VAL  MGY          65 PHE  HB+         4.50    (#   2420:25  Unique         3.06, 5.37 A)
 &rst
  ixpk= 2420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2=1033,1034,
 &end
#
#    0 AMB  25-2:2422     0 AMB  25-1:2422   4.50    (#   2422:25  Double Ambig)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2=1033,1034,1033,1034,
 &end
#
#   54 VAL  HN            5 ILE  MG2         4.50    (#   2423:25  Unique         3.22, 3.83 A)
 &rst
  ixpk= 2423, nxpk= 25, iat= 868,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  73,  74,  75,
 &end
#
#    5 ILE  HN            5 ILE  MG2         5.50    (#   2424:25  Unique         4.49, 4.73 A)
 &rst
  ixpk= 2424, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  73,  74,  75,
 &end
#
#   58 GLU  HN           57 ASN  HB+         3.50    (#   2425:25  Unique         1.81, 2.66 A)
 &rst
  ixpk= 2425, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 914, 915,
 &end
#
#   58 GLU  HN           57 ASN  HB-         3.50    (#   2426:25  Unique         1.81, 2.66 A)
 &rst
  ixpk= 2426, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 914, 915,
 &end
#
#   57 ASN  HD2+         57 ASN  HB-         3.50    (#   2427:25  Unique         2.20, 3.36 A)
 &rst
  ixpk= 2427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 919, 920,
 igr2= 914, 915,
 &end
#
#   57 ASN  HN           57 ASN  HB-         3.50    (#   2428:25  Unique         2.85, 3.33 A)
 &rst
  ixpk= 2428, nxpk= 25, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 914, 915,
 &end
#
#   57 ASN  HD2-         57 ASN  HB-         3.50    (#   2429:25  Unique         2.20, 3.36 A)
 &rst
  ixpk= 2429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 919, 920,
 igr2= 914, 915,
 &end
#
#   57 ASN  HD2+         57 ASN  HB+         3.50    (#   2430:25  Unique         2.20, 3.36 A)
 &rst
  ixpk= 2430, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 919, 920,
 igr2= 914, 915,
 &end
#
#   66 MET  HN           66 MET  HB+         4.50    (#   2431:25  Unique         2.58, 2.89 A)
 &rst
  ixpk= 2431, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1053,1054,
 &end
#
#   66 MET  HN           66 MET  HB-         4.50    (#   2432:25  Unique         2.58, 2.89 A)
 &rst
  ixpk= 2432, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1053,1054,
 &end
#
#   66 MET  HN           66 MET  HG+         4.50    (#   2433:25  Unique         4.52, 4.75 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1056,1057,
 &end
#
#   66 MET  HN           66 MET  HG-         4.50    (#   2434:25  Unique         4.52, 4.75 A)
 &rst
  ixpk= 2434, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1056,1057,
 &end
#
#   58 GLU  HN            0 AMB  25-1:2435   4.50    (#   2435:25  Single Ambig)
 &rst
  ixpk= 2435, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 928, 929, 928, 929,
 &end
#
#  125 THR  HN          142 LEU  HA          3.50    (#   2436:25  Unique         2.66, 2.75 A)
 &rst
  ixpk= 2436, nxpk= 25, iat=1950,2212, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 GLU  HN           11 GLU  HA          3.50    (#   2437:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 2437, nxpk= 25, iat= 186, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 VAL  HN           56 VAL  HA          3.50    (#   2438:25  Unique         2.92, 2.93 A)
 &rst
  ixpk= 2438, nxpk= 25, iat= 894, 896, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 VAL  HN           55 ALA  HA          2.80    (#   2439:25  Unique         2.17, 2.18 A)
 &rst
  ixpk= 2439, nxpk= 25, iat= 894, 886, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 PHE  HN           91 LEU  MDY         5.50    (#   2440:25  Unique         2.92, 4.66 A)
 &rst
  ixpk= 2440, nxpk= 25, iat=1029,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#  140 LEU  HN          139 LEU  HG          4.50    (#   2441:25  Unique         1.95, 2.02 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=2177,2165, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  140 LEU  HN          139 LEU  HB+         4.50    (#   2442:25  Unique         2.93, 3.45 A)
 &rst
  ixpk= 2442, nxpk= 25, iat=2177,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2162,2163,
 &end
#
#  140 LEU  HN          139 LEU  HB-         3.50    (#   2443:25  Unique         2.93, 3.45 A)
 &rst
  ixpk= 2443, nxpk= 25, iat=2177,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2162,2163,
 &end
#
#   68 LEU  HN           68 LEU  HB-         2.80    (#   2444:25  Unique         2.56, 3.02 A)
 &rst
  ixpk= 2444, nxpk= 25, iat=1085,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1089,1090,
 &end
#
#   69 SER  HN           69 SER  HB-         3.50    (#   2445:25  Unique         2.55, 2.87 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1108,1109,
 &end
#
#    9 ARG  HN            8 SER  HB+         3.50    (#   2446:25  Unique         2.22, 3.18 A)
 &rst
  ixpk= 2446, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 138, 139,
 &end
#
#    9 ARG  HN            8 SER  HB-         4.50    (#   2447:25  Unique         2.22, 3.18 A)
 &rst
  ixpk= 2447, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#    8 SER  HN            8 SER  HB-         4.50    (#   2448:25  Unique         2.18, 2.90 A)
 &rst
  ixpk= 2448, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#    8 SER  HN            8 SER  HB+         4.50    (#   2449:25  Unique         2.18, 2.90 A)
 &rst
  ixpk= 2449, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#    0 AMB  25-2:2450    68 LEU  HA          2.80    (#   2450:25  Single Ambig)
 &rst
  ixpk= 2450, nxpk= 25, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1104,1085,
 &end
#
#  128 SER  HN          127 ARG  HA          2.80    (#   2451:25  Unique         2.32, 2.35 A)
 &rst
  ixpk= 2451, nxpk= 25, iat=1995,1973, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  140 LEU  HN          139 LEU  HA          2.80    (#   2452:25  Unique         2.41, 2.46 A)
 &rst
  ixpk= 2452, nxpk= 25, iat=2177,2160, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 GLN  HN            0 AMB  25-1:2453   3.50    (#   2453:25  Single Ambig)
 &rst
  ixpk= 2453, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1723,1724,1723,1724,
 &end
#
#   45 SER  HN           44 ARG  HB+         3.50    (#   2454:25  Unique         3.38, 3.76 A)
 &rst
  ixpk= 2454, nxpk= 25, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 702, 703,
 &end
#
#   39 LEU  HN           38 GLU  HB+         3.50    (#   2455:25  Unique         2.40, 3.03 A)
 &rst
  ixpk= 2455, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 606, 607,
 &end
#
#    0 AMB  25-2:2456     0 AMB  25-1:2456   4.50    (#   2456:25  Double Ambig)
 &rst
  ixpk= 2456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1912,2229,
 igr2=2214,2215,2214,2215,
 &end
#
#    0 AMB  25-2:2457   142 LEU  HB-         5.50    (#   2457:25  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1912,2229,
 igr2=2214,2215,
 &end
#
#  123 LYS  HN          122 PHE  HB+         4.50    (#   2458:25  Unique         2.53, 3.25 A)
 &rst
  ixpk= 2458, nxpk= 25, iat=1912,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1896,1897,
 &end
#
#  123 LYS  HN          122 PHE  HB-         4.50    (#   2459:25  Unique         2.53, 3.25 A)
 &rst
  ixpk= 2459, nxpk= 25, iat=1912,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1896,1897,
 &end
#
#  133 LEU  HN          132 ASP  HB+         3.50    (#   2460:25  Unique         2.40, 3.08 A)
 &rst
  ixpk= 2460, nxpk= 25, iat=2061,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2053,2054,
 &end
#
#  133 LEU  HN          132 ASP  HB-         3.50    (#   2461:25  Unique         2.40, 3.08 A)
 &rst
  ixpk= 2461, nxpk= 25, iat=2061,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2053,2054,
 &end
#
#   79 ASP  HN           78 ILE  HB          3.50    (#   2462:25  Unique         3.49, 3.52 A)
 &rst
  ixpk= 2462, nxpk= 25, iat=1253,1238, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  143 ALA  HN          142 LEU  HA          2.80    (#   2464:25  Unique         2.15, 2.21 A)
 &rst
  ixpk= 2464, nxpk= 25, iat=2229,2212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 LEU  HN           66 MET  HA          2.80    (#   2465:25  Unique         2.14, 2.15 A)
 &rst
  ixpk= 2465, nxpk= 25, iat=1066,1051, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  143 ALA  HN          143 ALA  HA          3.50    (#   2466:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 2466, nxpk= 25, iat=2229,2231, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 ARG  HN            5 ILE  HA          2.80    (#   2467:25  Unique         2.17, 2.20 A)
 &rst
  ixpk= 2467, nxpk= 25, iat=  86,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  HN            5 ILE  HA          4.50    (#   2468:25  Unique         2.92, 3.17 A)
 &rst
  ixpk= 2468, nxpk= 25, iat= 894,  69, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  142 LEU  HN          105 ASN  HA          3.50    (#   2469:25  Unique         2.99, 3.22 A)
 &rst
  ixpk= 2469, nxpk= 25, iat=2210,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  142 LEU  HN          141 ASN  HA          2.80    (#   2470:25  Unique         2.15, 2.19 A)
 &rst
  ixpk= 2470, nxpk= 25, iat=2210,2198, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  106 VAL  HN          141 ASN  HA          4.50    (#   2471:25  Unique         3.44, 3.79 A)
 &rst
  ixpk= 2471, nxpk= 25, iat=1643,2198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  141 ASN  HN          141 ASN  HA          3.50    (#   2472:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2472, nxpk= 25, iat=2196,2198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 ARG  HN           55 ALA  HA          4.50    (#   2473:25  Unique         3.87, 3.93 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=  86, 886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 SER  HN           55 ALA  HA          4.50    (#   2474:25  Unique         4.32, 4.43 A)
 &rst
  ixpk= 2474, nxpk= 25, iat=  56, 886, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 PRO  HD+          50 ALA  HA          2.80    (#   2475:25  Unique         2.03, 2.17 A)
 &rst
  ixpk= 2475, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 812, 813,
 &end
#
#   51 PRO  HD-          50 ALA  HA          2.80    (#   2476:25  Unique         2.03, 2.17 A)
 &rst
  ixpk= 2476, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 812, 813,
 &end
#
#   48 PRO  HB+          48 PRO  HD+         4.50    (#   2477:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 779, 780,
 igr2= 773, 774,
 &end
#
#   48 PRO  HB+          48 PRO  HD-         3.50    (#   2478:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 779, 780,
 igr2= 773, 774,
 &end
#
#   47 LEU  HB-          48 PRO  HD-         4.50    (#   2479:25  Unique         1.98, 2.65 A)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 757, 758,
 igr2= 773, 774,
 &end
#
#   17 VAL  MGX          48 PRO  HD+         5.50    (#   2480:25  Unique         2.46, 4.71 A)
 &rst
  ixpk= 2480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 773, 774,
 &end
#
#   39 LEU  HN           39 LEU  HB+         3.50    (#   2481:25  Unique         2.10, 2.92 A)
 &rst
  ixpk= 2481, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 621, 622,
 &end
#
#   39 LEU  HN           39 LEU  HB-         4.50    (#   2482:25  Unique         2.10, 2.92 A)
 &rst
  ixpk= 2482, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 621, 622,
 &end
#
#   34 GLU  HN           34 GLU  HG+         3.50    (#   2483:25  Unique         2.05, 3.21 A)
 &rst
  ixpk= 2483, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 535, 536,
 &end
#
#  110 ASN  HD2-        110 ASN  HB+         4.50    (#   2484:25  Unique         2.12, 3.20 A)
 &rst
  ixpk= 2484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1714,1715,
 igr2=1709,1710,
 &end
#
#   34 GLU  HN           32 SER  HB+         4.50    (#   2485:25  Unique         2.31, 3.45 A)
 &rst
  ixpk= 2485, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 511, 512,
 &end
#
#    0 AMB  25-2:2486   100 PRO  HA          4.50    (#   2486:25  Single Ambig)
 &rst
  ixpk= 2486, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1582,2249,2254,
 &end
#
#  100 PRO  HD+         100 PRO  HA          4.50    (#   2487:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 2487, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1554,1555,
 &end
#
#  100 PRO  HD-         100 PRO  HA          4.50    (#   2488:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 2488, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1554,1555,
 &end
#
#   33 ALA  HN           32 SER  HB-         5.50    (#   2489:25  Unique         2.28, 3.29 A)
 &rst
  ixpk= 2489, nxpk= 25, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 511, 512,
 &end
#
#  129 GLU  HN          128 SER  HB+         4.50    (#   2490:25  Unique         2.47, 3.28 A)
 &rst
  ixpk= 2490, nxpk= 25, iat=2006,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1999,2000,
 &end
#
#  127 ARG  HE          127 ARG  HD+         4.50    (#   2491:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 2491, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1981,1982,
 &end
#
#    6 ARG  HE            0 AMB  25-1:2492   2.80    (#   2492:25  Single Ambig)
 &rst
  ixpk= 2492, nxpk= 25, iat=  99,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=  96,  97,  96,  97,
 &end
#
#   21 CYS  HN           20 TRP  HB+         4.50    (#   2493:25  Unique         2.78, 3.45 A)
 &rst
  ixpk= 2493, nxpk= 25, iat= 341,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 321, 322,
 &end
#
#   21 CYS  HN           20 TRP  HB-         5.50    (#   2494:25  Unique         2.78, 3.45 A)
 &rst
  ixpk= 2494, nxpk= 25, iat= 341,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 321, 322,
 &end
#
#   73 MET  HN           73 MET  HB+         5.50    (#   2495:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 2495, nxpk= 25, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1160,1161,
 &end
#
#   73 MET  HN           73 MET  HB-         4.50    (#   2496:25  Unique         2.30, 2.63 A)
 &rst
  ixpk= 2496, nxpk= 25, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1160,1161,
 &end
#
#   99 ALA  HN           98 MET  HB-         4.50    (#   2497:25  Unique         3.15, 3.73 A)
 &rst
  ixpk= 2497, nxpk= 25, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1530,1531,
 &end
#
#   73 MET  HN           72 HIS  HA          2.80    (#   2498:25  Unique         2.14, 2.16 A)
 &rst
  ixpk= 2498, nxpk= 25, iat=1156,1141, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ARG  HN          127 ARG  HA          4.50    (#   2499:25  Unique         2.89, 2.90 A)
 &rst
  ixpk= 2499, nxpk= 25, iat=1971,1973, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 HIS  HN           72 HIS  HA          3.50    (#   2500:25  Unique         2.89, 2.91 A)
 &rst
  ixpk= 2500, nxpk= 25, iat=1139,1141, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 TRP  HN           53 TRP  HB+         4.50    (#   2501:25  Unique         2.58, 3.15 A)
 &rst
  ixpk= 2501, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 848, 849,
 &end
#
#   53 TRP  HN           53 TRP  HB-         4.50    (#   2502:25  Unique         2.58, 3.15 A)
 &rst
  ixpk= 2502, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 848, 849,
 &end
#
#   53 TRP  HA           53 TRP  HB+         3.50    (#   2503:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 2503, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 848, 849,
 &end
#
#    0 AMB  25-2:2504    53 TRP  HB-         4.50    (#   2504:25  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1428,1429,1430,1432,1433,1434, 874, 875, 876, 878,
       879, 880, 834, 835, 836, 838, 839, 840,
 igr2= 848, 849,
 &end
#
#    5 ILE  MD1          94 HIS  HB+         4.50    (#   2505:25  Unique         3.71, 5.15 A)
 &rst
  ixpk= 2505, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  80,  81,  82,
 igr2=1473,1474,
 &end
#
#   91 LEU  HA           94 HIS  HB+         4.50    (#   2506:25  Unique         2.89, 3.51 A)
 &rst
  ixpk= 2506, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1473,1474,
 &end
#
#    0 AMB  25-2:2507     0 AMB  25-1:2507   4.50    (#   2507:25  Double Ambig)
 &rst
  ixpk= 2507, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1668,1669,1673,
 igr2=1663,1664,1663,1664,
 &end
#
#  107 ASN  HN          107 ASN  HB+         4.50    (#   2508:25  Unique         2.09, 2.70 A)
 &rst
  ixpk= 2508, nxpk= 25, iat=1659,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1663,1664,
 &end
#
#  117 TYR  HN          116 PHE  HB+         4.50    (#   2509:25  Unique         2.58, 3.29 A)
 &rst
  ixpk= 2509, nxpk= 25, iat=1804,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1788,1789,
 &end
#
#   36 ARG  HN           35 TYR  HB-         4.50    (#   2510:25  Unique         2.62, 3.69 A)
 &rst
  ixpk= 2510, nxpk= 25, iat= 564,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 547, 548,
 &end
#
#  107 ASN  HN          106 VAL  HB          4.50    (#   2511:25  Unique         4.05, 4.18 A)
 &rst
  ixpk= 2511, nxpk= 25, iat=1659,1647, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 ARG  HN           12 GLU  HG+         4.50    (#   2512:25  Unique         1.95, 2.40 A)
 &rst
  ixpk= 2512, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 208, 209,
 &end
#
#    9 ARG  HN           12 GLU  HG-         4.50    (#   2513:25  Unique         1.95, 2.40 A)
 &rst
  ixpk= 2513, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 208, 209,
 &end
#
#  144 TYR  HN          143 ALA  HA          2.80    (#   2514:25  Unique         2.23, 2.25 A)
 &rst
  ixpk= 2514, nxpk= 25, iat=2239,2231, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 GLU  HN          110 ASN  HA          2.80    (#   2515:25  Unique         2.14, 2.23 A)
 &rst
  ixpk= 2515, nxpk= 25, iat=1719,1707, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 ASN  HN          110 ASN  HA          2.80    (#   2516:25  Unique         2.75, 2.82 A)
 &rst
  ixpk= 2516, nxpk= 25, iat=1705,1707, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 TRP  HN           52 LEU  HA          2.80    (#   2517:25  Unique         2.54, 2.57 A)
 &rst
  ixpk= 2517, nxpk= 25, iat= 844, 827, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   81 ASP  HN           81 ASP  HA          2.80    (#   2518:25  Unique         2.75, 2.76 A)
 &rst
  ixpk= 2518, nxpk= 25, iat=1279,1281, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2519     0 AMB  25-1:2519   3.50    (#   2519:25  Double Ambig)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1122,1601,
 igr2=1126,1127,1126,1127,
 &end
#
#   82 VAL  HB           85 CYS  HB+         4.50    (#   2520:25  Unique         2.26, 3.17 A)
 &rst
  ixpk= 2520, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1342,1343,
 &end
#
#  103 THR  HN           72 HIS  HA          2.80    (#   2521:25  Unique         2.41, 2.61 A)
 &rst
  ixpk= 2521, nxpk= 25, iat=1601,1141, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 GLN  HN           99 ALA  MB          4.50    (#   2522:25  Unique         2.08, 4.74 A)
 &rst
  ixpk= 2522, nxpk= 25, iat=1122,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1547,1548,1549,
 &end
#
#  106 VAL  HN          105 ASN  HA          2.80    (#   2523:25  Unique         2.15, 2.33 A)
 &rst
  ixpk= 2523, nxpk= 25, iat=1643,1631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  109 GLN  HN          109 GLN  HG+         2.80    (#   2525:25  Unique         2.03, 3.03 A)
 &rst
  ixpk= 2525, nxpk= 25, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1695,1696,
 &end
#
#  142 LEU  HG          141 ASN  HA          4.50    (#   2527:25  Unique         3.32, 3.35 A)
 &rst
  ixpk= 2527, nxpk= 25, iat=2217,2198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 ARG  HN            6 ARG  HA          2.80    (#   2528:25  Unique         2.65, 2.69 A)
 &rst
  ixpk= 2528, nxpk= 25, iat= 110,  88, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 ARG  HN            6 ARG  HA          3.50    (#   2529:25  Unique         2.89, 2.92 A)
 &rst
  ixpk= 2529, nxpk= 25, iat=  86,  88, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2530    66 MET  HA          2.80    (#   2530:25  Single Ambig)
 &rst
  ixpk= 2530, nxpk= 25, iat=  -1,1051, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1053,1054,1053,1054,
 &end
#
#   66 MET  HG+          66 MET  HA          4.50    (#   2531:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,1051, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1056,1057,
 &end
#
#   66 MET  HG-          66 MET  HA          3.50    (#   2532:25  Unique         2.43, 3.01 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=  -1,1051, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1056,1057,
 &end
#
#   47 LEU  HN           46 PHE  HB-         3.50    (#   2533:25  Unique         2.59, 2.79 A)
 &rst
  ixpk= 2533, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 737, 738,
 &end
#
#   43 VAL  HN           42 LEU  HB-         3.50    (#   2534:25  Unique         3.76, 3.91 A)
 &rst
  ixpk= 2534, nxpk= 25, iat= 682,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 667, 668,
 &end
#
#   91 LEU  HN           91 LEU  HB-         3.50    (#   2535:25  Unique         2.20, 2.85 A)
 &rst
  ixpk= 2535, nxpk= 25, iat=1419,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1423,1424,
 &end
#
#  139 LEU  HN          139 LEU  HB+         4.50    (#   2536:25  Unique         2.58, 2.90 A)
 &rst
  ixpk= 2536, nxpk= 25, iat=2158,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2162,2163,
 &end
#
#  139 LEU  HN          139 LEU  HB-         4.50    (#   2537:25  Unique         2.58, 2.90 A)
 &rst
  ixpk= 2537, nxpk= 25, iat=2158,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2162,2163,
 &end
#
#   47 LEU  HN           48 PRO  HD+         3.50    (#   2538:25  Unique         2.15, 2.67 A)
 &rst
  ixpk= 2538, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 773, 774,
 &end
#
#   47 LEU  HN           48 PRO  HD-         3.50    (#   2539:25  Unique         2.15, 2.67 A)
 &rst
  ixpk= 2539, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 773, 774,
 &end
#
#  141 ASN  HN          127 ARG  HA          3.50    (#   2540:25  Unique         3.07, 3.14 A)
 &rst
  ixpk= 2540, nxpk= 25, iat=2196,1973, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  141 ASN  HN          140 LEU  HA          2.80    (#   2541:25  Unique         2.22, 2.22 A)
 &rst
  ixpk= 2541, nxpk= 25, iat=2196,2179, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  117 TYR  HN            0 AMB  25-1:2542   2.80    (#   2542:25  Single Ambig)
 &rst
  ixpk= 2542, nxpk= 25, iat=1804,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1808,1809,1808,1809,
 &end
#
#  117 TYR  HN          116 PHE  HB-         3.50    (#   2543:25  Unique         2.58, 3.29 A)
 &rst
  ixpk= 2543, nxpk= 25, iat=1804,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1788,1789,
 &end
#
#  102 LEU  MDY         144 TYR  HB+         4.50    (#   2545:25  Unique         3.92, 5.74 A)
 &rst
  ixpk= 2545, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=2243,2244,
 &end
#
#    0 AMB  25-2:2546     0 AMB  25-1:2546   4.50    (#   2546:25  Double Ambig)
 &rst
  ixpk= 2546, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=2243,2244,2243,2244,
 &end
#
#    0 AMB  25-2:2547   144 TYR  HB-         3.50    (#   2547:25  Single Ambig)
 &rst
  ixpk= 2547, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=2243,2244,
 &end
#
#    0 AMB  25-2:2548    57 ASN  HB-         4.50    (#   2548:25  Single Ambig)
 &rst
  ixpk= 2548, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1012,1013,1014,1016,1017,1018,1362,1363,1364,1366,
      1367,1368,
 igr2= 914, 915,
 &end
#
#   44 ARG  HN           43 VAL  HA          4.50    (#   2549:25  Unique         3.52, 3.53 A)
 &rst
  ixpk= 2549, nxpk= 25, iat= 698, 684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2550    43 VAL  HA          2.80    (#   2550:25  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 682, 753,
 &end
#
#   46 PHE  HN           43 VAL  HA          3.50    (#   2551:25  Unique         3.57, 3.60 A)
 &rst
  ixpk= 2551, nxpk= 25, iat= 733, 684, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 SER  HN           43 VAL  HA          4.50    (#   2552:25  Unique         3.66, 3.67 A)
 &rst
  ixpk= 2552, nxpk= 25, iat= 722, 684, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 PHE  HB-          43 VAL  HA          3.50    (#   2553:25  Unique         2.87, 3.39 A)
 &rst
  ixpk= 2553, nxpk= 25, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 737, 738,
 &end
#
#   20 TRP  HB-          17 VAL  HA          4.50    (#   2554:25  Unique         2.96, 3.55 A)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1, 274, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 321, 322,
 &end
#
#   43 VAL  HN           42 LEU  HA          3.50    (#   2555:25  Unique         3.50, 3.50 A)
 &rst
  ixpk= 2555, nxpk= 25, iat= 682, 665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 VAL  HN          129 GLU  HA          3.50    (#   2556:25  Unique         3.51, 3.54 A)
 &rst
  ixpk= 2556, nxpk= 25, iat=2021,2008, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 SER  HN           42 LEU  HA          3.50    (#   2557:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 2557, nxpk= 25, iat= 722, 665, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2558    83 ARG  HA          5.50    (#   2558:25  Single Ambig)
 &rst
  ixpk= 2558, nxpk= 25, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1317,1318,1317,1318,
 &end
#
#   60 ASP  HN           60 ASP  HB+         3.50    (#   2560:25  Unique         3.15, 3.80 A)
 &rst
  ixpk= 2560, nxpk= 25, iat= 963,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 967, 968,
 &end
#
#  133 LEU  HA          133 LEU  HB-         2.80    (#   2561:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 2561, nxpk= 25, iat=2063,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2065,2066,
 &end
#
#   91 LEU  HA           91 LEU  HB+         4.50    (#   2562:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 2562, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#   60 ASP  HN           60 ASP  HA          2.80    (#   2563:25  Unique         2.28, 2.28 A)
 &rst
  ixpk= 2563, nxpk= 25, iat= 963, 965, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2565     0 AMB  25-1:2565   2.80    (#   2565:25  Double Ambig)
 &rst
  ixpk= 2565, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 365,1253,
 igr2=1257,1258,1257,1258,
 &end
#
#    0 AMB  25-2:2566    79 ASP  HB-         2.80    (#   2566:25  Single Ambig)
 &rst
  ixpk= 2566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 365,1253,
 igr2=1257,1258,
 &end
#
#   74 ASP  HN           74 ASP  HB-         2.80    (#   2567:25  Unique         2.09, 2.73 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=1173,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1177,1178,
 &end
#
#   31 LEU  HN           31 LEU  HB-         4.50    (#   2568:25  Unique         2.06, 2.80 A)
 &rst
  ixpk= 2568, nxpk= 25, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#  140 LEU  HN          140 LEU  HB-         5.50    (#   2569:25  Unique         2.77, 3.36 A)
 &rst
  ixpk= 2569, nxpk= 25, iat=2177,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2181,2182,
 &end
#
#  140 LEU  HN          140 LEU  HB+         4.50    (#   2570:25  Unique         2.77, 3.36 A)
 &rst
  ixpk= 2570, nxpk= 25, iat=2177,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2181,2182,
 &end
#
#  132 ASP  HN          132 ASP  HB+         2.80    (#   2571:25  Unique         2.88, 3.29 A)
 &rst
  ixpk= 2571, nxpk= 25, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2053,2054,
 &end
#
#    0 AMB  25-2:2572     0 AMB  25-1:2572   2.80    (#   2572:25  Double Ambig)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1892,2049,
 igr2=1896,1897,2053,2054,
 &end
#
#  131 ASP  HN          131 ASP  HB+         3.50    (#   2573:25  Unique         2.27, 2.56 A)
 &rst
  ixpk= 2573, nxpk= 25, iat=2037,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2041,2042,
 &end
#
#  132 ASP  HN          131 ASP  HB+         2.80    (#   2574:25  Unique         1.90, 2.72 A)
 &rst
  ixpk= 2574, nxpk= 25, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2041,2042,
 &end
#
#  132 ASP  HN          131 ASP  HB-         2.80    (#   2575:25  Unique         1.90, 2.72 A)
 &rst
  ixpk= 2575, nxpk= 25, iat=2049,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2041,2042,
 &end
#
#  131 ASP  HN          131 ASP  HB-         4.50    (#   2576:25  Unique         2.27, 2.56 A)
 &rst
  ixpk= 2576, nxpk= 25, iat=2037,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2041,2042,
 &end
#
#    0 AMB  25-2:2577     0 AMB  25-1:2577   5.50    (#   2577:25  Double Ambig)
 &rst
  ixpk= 2577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2127,2128,2127,2128,
 igr2=2041,2042,2041,2042,
 &end
#
#    0 AMB  25-2:2578   131 ASP  HB-         5.50    (#   2578:25  Single Ambig)
 &rst
  ixpk= 2578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2127,2128,2127,2128,
 igr2=2041,2042,
 &end
#
#    0 AMB  25-2:2580     0 AMB  25-1:2580   3.50    (#   2580:25  Double Ambig)
 &rst
  ixpk= 2580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2094,2095,2094,2095,
 igr2=2041,2042,2041,2042,
 &end
#
#    0 AMB  25-2:2581   131 ASP  HB-         2.80    (#   2581:25  Single Ambig)
 &rst
  ixpk= 2581, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2094,2095,2094,2095,
 igr2=2041,2042,
 &end
#
#   16 LEU  HN           16 LEU  HB+         3.50    (#   2582:25  Unique         2.80, 3.19 A)
 &rst
  ixpk= 2582, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 257, 258,
 &end
#
#   16 LEU  HN           16 LEU  HB-         4.50    (#   2583:25  Unique         2.80, 3.19 A)
 &rst
  ixpk= 2583, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 257, 258,
 &end
#
#   16 LEU  HA           16 LEU  HB-         3.50    (#   2584:25  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2584, nxpk= 25, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 257, 258,
 &end
#
#   48 PRO  HD-          47 LEU  HB+         4.50    (#   2585:25  Unique         1.98, 2.65 A)
 &rst
  ixpk= 2585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 773, 774,
 igr2= 757, 758,
 &end
#
#   48 PRO  HD-          47 LEU  HB-         4.50    (#   2586:25  Unique         1.98, 2.65 A)
 &rst
  ixpk= 2586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 773, 774,
 igr2= 757, 758,
 &end
#
#   74 ASP  HN           74 ASP  HA          2.80    (#   2587:25  Unique         2.79, 2.86 A)
 &rst
  ixpk= 2587, nxpk= 25, iat=1173,1175, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 ASP  HN           68 LEU  HA          3.50    (#   2588:25  Unique         2.81, 3.02 A)
 &rst
  ixpk= 2588, nxpk= 25, iat=1173,1087, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 PHE  HN           77 PHE  HA          3.50    (#   2589:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 2589, nxpk= 25, iat=1214,1216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ASN  HN          105 ASN  HA          2.80    (#   2590:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2590, nxpk= 25, iat=1629,1631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2591     0 AMB  25-1:2591   4.50    (#   2591:25  Double Ambig)
 &rst
  ixpk= 2591, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 939,1869,1403,
 igr2= 949, 950,1389,1390,1389,1390,
 &end
#
#    0 AMB  25-2:2592     0 AMB  25-1:2592   5.50    (#   2592:25  Double Ambig)
 &rst
  ixpk= 2592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 919, 920,1307,
 igr2= 949, 950,1317,1318,1317,1318,
 &end
#
#   44 ARG  HE            0 AMB  25-1:2593   2.80    (#   2593:25  Single Ambig)
 &rst
  ixpk= 2593, nxpk= 25, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 708, 709, 708, 709,
 &end
#
#   88 GLY  HN           88 GLY  HA-         2.80    (#   2594:25  Unique         2.29, 2.53 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1372,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1374,1375,
 &end
#
#    0 AMB  25-2:2595    88 GLY  HA-         3.50    (#   2595:25  Single Ambig)
 &rst
  ixpk= 2595, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1423,1424,1360,
 igr2=1374,1375,
 &end
#
#    0 AMB  25-2:2596     0 AMB  25-1:2596   4.50    (#   2596:25  Double Ambig)
 &rst
  ixpk= 2596, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1204,1205,1206,1208,1209,1210,1444,1445,1446,1448,
      1449,1450,
 igr2=1374,1375,1374,1375,
 &end
#
#    0 AMB  25-2:2597    88 GLY  HA-         3.50    (#   2597:25  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1204,1205,1206,1208,1209,1210,1444,1445,1446,1448,
      1449,1450,
 igr2=1374,1375,
 &end
#
#   19 ILE  HN           19 ILE  HG1-        4.50    (#   2598:25  Unique         2.45, 3.28 A)
 &rst
  ixpk= 2598, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#  109 GLN  HN          109 GLN  HB-         3.50    (#   2599:25  Unique         2.26, 3.01 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1692,1693,
 &end
#
#   19 ILE  HA           19 ILE  HG1-        4.50    (#   2600:25  Unique         2.28, 2.64 A)
 &rst
  ixpk= 2600, nxpk= 25, iat= 300,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#  109 GLN  HA          109 GLN  HB-         3.50    (#   2602:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2602, nxpk= 25, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1692,1693,
 &end
#
#   99 ALA  HN           96 LEU  HA          3.50    (#   2603:25  Unique         3.19, 3.26 A)
 &rst
  ixpk= 2603, nxpk= 25, iat=1543,1498, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 GLN  HN          109 GLN  HA          2.80    (#   2604:25  Unique         2.75, 2.79 A)
 &rst
  ixpk= 2604, nxpk= 25, iat=1688,1690, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2605    24 VAL  MGX         4.50    (#   2605:25  Single Ambig)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 577, 403,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   25 ASP  HN           24 VAL  HB          4.50    (#   2606:25  Unique         2.41, 2.92 A)
 &rst
  ixpk= 2606, nxpk= 25, iat= 403, 391, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2607    24 VAL  HB          3.50    (#   2607:25  Single Ambig)
 &rst
  ixpk= 2607, nxpk= 25, iat=  -1, 391, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 389, 343,
 &end
#
#   25 ASP  HN           25 ASP  HB+         3.50    (#   2608:25  Unique         2.14, 2.80 A)
 &rst
  ixpk= 2608, nxpk= 25, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#    3 ILE  HA            3 ILE  HB          3.50    (#   2609:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=  39,  41, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 SER  HN            7 ARG  HD+         4.50    (#   2610:25  Unique         3.88, 4.76 A)
 &rst
  ixpk= 2610, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 120, 121,
 &end
#
#    8 SER  HN            7 ARG  HD-         5.50    (#   2611:25  Unique         3.88, 4.76 A)
 &rst
  ixpk= 2611, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 120, 121,
 &end
#
#   53 TRP  HA            7 ARG  HD+         4.50    (#   2612:25  Unique         3.94, 4.68 A)
 &rst
  ixpk= 2612, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 120, 121,
 &end
#
#   53 TRP  HA            7 ARG  HD-         4.50    (#   2613:25  Unique         3.94, 4.68 A)
 &rst
  ixpk= 2613, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 120, 121,
 &end
#
#    0 AMB  25-2:2614    33 ALA  MB          4.50    (#   2614:25  Single Ambig)
 &rst
  ixpk= 2614, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 577, 543, 588,
 igr2= 522, 523, 524,
 &end
#
#   16 LEU  HN           18 ALA  MB          4.50    (#   2615:25  Unique         4.83, 5.90 A)
 &rst
  ixpk= 2615, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 292, 293, 294,
 &end
#
#  126 GLY  HN          125 THR  HA          4.50    (#   2616:25  Unique         3.13, 3.41 A)
 &rst
  ixpk= 2616, nxpk= 25, iat=1964,1952, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 TRP  HZ3          21 CYS  HA          4.50    (#   2617:25  Unique         3.13, 3.27 A)
 &rst
  ixpk= 2617, nxpk= 25, iat= 334, 343, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 ASN  HN           57 ASN  HA          3.50    (#   2618:25  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2618, nxpk= 25, iat= 910, 912, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2619    43 VAL  MGX         5.50    (#   2619:25  Single Ambig)
 &rst
  ixpk= 2619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 663, 651,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   97 SER  HN           94 HIS  HA          4.50    (#   2620:25  Unique         3.77, 3.82 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=1515,1471, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 ARG  HN           83 ARG  HA          4.50    (#   2621:25  Unique         2.75, 2.79 A)
 &rst
  ixpk= 2621, nxpk= 25, iat=1307,1309, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 ALA  HN           47 LEU  HA          4.50    (#   2622:25  Unique         3.64, 3.70 A)
 &rst
  ixpk= 2622, nxpk= 25, iat= 801, 755, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 PHE  HD          117 TYR  HA          4.50    (#   2623:25  Unique         2.70, 4.86 A)
 &rst
  ixpk= 2623, nxpk= 25, iat=  -1,1806, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1900,1908,
 &end
#
#  122 PHE  HD          120 VAL  HB          4.50    (#   2624:25  Unique         1.99, 4.17 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1900,1908,
 &end
#
#   45 SER  HN           44 ARG  HA          3.50    (#   2625:25  Unique         3.32, 3.32 A)
 &rst
  ixpk= 2625, nxpk= 25, iat= 722, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 PHE  HD           77 PHE  HB+         3.50    (#   2628:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 2628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1222,1230,
 igr2=1218,1219,
 &end
#
#   98 MET  HN           99 ALA  MB          4.50    (#   2629:25  Unique         4.52, 5.30 A)
 &rst
  ixpk= 2629, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1547,1548,1549,
 &end
#
#    0 AMB  25-2:2630     0 AMB  25-1:2630   3.50    (#   2630:25  Double Ambig)
 &rst
  ixpk= 2630, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2133,2138,1700,1701,
 igr2= 547, 548, 547, 548,
 &end
#
#  141 ASN  HD2+        141 ASN  HB-         4.50    (#   2631:25  Unique         2.67, 3.50 A)
 &rst
  ixpk= 2631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2205,2206,
 igr2=2200,2201,
 &end
#
#  122 PHE  HE          144 TYR  HB-         4.50    (#   2632:25  Unique         3.28, 5.50 A)
 &rst
  ixpk= 2632, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1902,1906,
 igr2=2243,2244,
 &end
#
#  144 TYR  HE          121 GLY  HA+         4.50    (#   2635:25  Unique         3.16, 5.45 A)
 &rst
  ixpk= 2635, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2249,2254,
 igr2=1887,1888,
 &end
#
#  102 LEU  HN          102 LEU  MDX         4.50    (#   2636:25  Unique         3.04, 4.48 A)
 &rst
  ixpk= 2636, nxpk= 25, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:2638   113 ALA  HA          4.50    (#   2638:25  Single Ambig)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1714,1715,1792,1800,
 &end
#
#  117 TYR  HD          116 PHE  HB-         4.50    (#   2639:25  Unique         2.47, 5.50 A)
 &rst
  ixpk= 2639, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1812,1821,
 igr2=1788,1789,
 &end
#
#  117 TYR  HD          116 PHE  HB+         4.50    (#   2640:25  Unique         2.47, 5.50 A)
 &rst
  ixpk= 2640, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1812,1821,
 igr2=1788,1789,
 &end
#
#  117 TYR  HE          104 THR  MG2         5.50    (#   2641:25  Unique         2.22, 4.87 A)
 &rst
  ixpk= 2641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1814,1819,
 igr2=1621,1622,1623,
 &end
#
#   65 PHE  HA           65 PHE  HB-         4.50    (#   2642:25  Unique         2.43, 2.45 A)
 &rst
  ixpk= 2642, nxpk= 25, iat=1031,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1033,1034,
 &end
#
#  142 LEU  HA          142 LEU  HB+         5.50    (#   2645:25  Unique         2.23, 2.58 A)
 &rst
  ixpk= 2645, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2214,2215,
 &end
#
#  142 LEU  HA          142 LEU  HB-         5.50    (#   2646:25  Unique         2.23, 2.58 A)
 &rst
  ixpk= 2646, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2214,2215,
 &end
#
#   66 MET  HA           66 MET  HB-         3.50    (#   2647:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 2647, nxpk= 25, iat=1051,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1053,1054,
 &end
#
#    0 AMB  25-2:2648     0 AMB  25-1:2648   4.50    (#   2648:25  Double Ambig)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  39, 846,
 igr2=  47,  48, 117, 118,
 &end
#
#  140 LEU  HA          140 LEU  HB-         4.50    (#   2649:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 2649, nxpk= 25, iat=2179,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2181,2182,
 &end
#
#  140 LEU  HA          140 LEU  HB+         4.50    (#   2650:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 2650, nxpk= 25, iat=2179,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2181,2182,
 &end
#
#  102 LEU  HA           71 GLN  HB+         4.50    (#   2651:25  Unique         1.95, 3.39 A)
 &rst
  ixpk= 2651, nxpk= 25, iat=1584,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1126,1127,
 &end
#
#  117 TYR  HN          114 VAL  HA          5.50    (#   2652:25  Unique         4.05, 4.12 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=1804,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 ALA  MB          114 VAL  HA          4.50    (#   2653:25  Unique         3.92, 4.82 A)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1755,1756,1757,
 &end
#
#   40 GLU  HN           37 THR  HA          4.50    (#   2654:25  Unique         3.40, 3.51 A)
 &rst
  ixpk= 2654, nxpk= 25, iat= 636, 590, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASP  HN           37 THR  HA          5.50    (#   2655:25  Unique         4.32, 4.68 A)
 &rst
  ixpk= 2655, nxpk= 25, iat= 651, 590, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 ILE  HG1-         19 ILE  HA          2.80    (#   2656:25  Unique         2.28, 2.64 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1, 300, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 308, 309,
 &end
#
#   22 ARG  HB-          19 ILE  HA          4.50    (#   2657:25  Unique         2.27, 3.41 A)
 &rst
  ixpk= 2657, nxpk= 25, iat=  -1, 300, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 356, 357,
 &end
#
#    0 AMB  25-2:2658     8 SER  HB-         5.50    (#   2658:25  Single Ambig)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 829, 830, 757, 758,
 igr2= 138, 139,
 &end
#
#   54 VAL  MGY           8 SER  HB-         4.50    (#   2659:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2= 138, 139,
 &end
#
#   54 VAL  MGY           8 SER  HB+         4.50    (#   2660:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 2660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2= 138, 139,
 &end
#
#   24 VAL  HB           21 CYS  HA          4.50    (#   2662:25  Unique         2.84, 3.38 A)
 &rst
  ixpk= 2662, nxpk= 25, iat= 391, 343, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 VAL  HN          117 TYR  HA          5.50    (#   2665:25  Unique         3.50, 3.52 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=1869,1806, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 TRP  HH2          40 GLU  HA          3.50    (#   2666:25  Unique         2.71, 2.95 A)
 &rst
  ixpk= 2666, nxpk= 25, iat= 332, 638, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 VAL  MGY          40 GLU  HA          4.50    (#   2668:25  Unique         2.99, 4.40 A)
 &rst
  ixpk= 2668, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   39 LEU  HB+          40 GLU  HA          5.50    (#   2669:25  Unique         3.87, 4.29 A)
 &rst
  ixpk= 2669, nxpk= 25, iat=  -1, 638, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 621, 622,
 &end
#
#   56 VAL  HA           60 ASP  HA          4.50    (#   2670:25  Unique         4.55, 4.58 A)
 &rst
  ixpk= 2670, nxpk= 25, iat= 896, 965, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  135 LYS  HN          135 LYS  HA          4.50    (#   2671:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=2087,2089, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  142 LEU  HB+         142 LEU  HA          3.50    (#   2672:25  Unique         2.23, 2.58 A)
 &rst
  ixpk= 2672, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2214,2215,
 &end
#
#  142 LEU  MDY         142 LEU  HA          5.50    (#   2673:25  Unique         2.37, 4.17 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  HG          105 ASN  HA          4.50    (#   2674:25  Unique         2.87, 3.26 A)
 &rst
  ixpk= 2674, nxpk= 25, iat=2217,1631, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  142 LEU  MDY         105 ASN  HA          4.50    (#   2675:25  Unique         3.60, 5.11 A)
 &rst
  ixpk= 2675, nxpk= 25, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:2676     0 AMB  25-1:2676   5.50    (#   2676:25  Double Ambig)
 &rst
  ixpk= 2676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 776, 777, 832,
 igr2= 218, 219, 218, 219,
 &end
#
#   48 PRO  HG-          13 GLY  HA-         5.50    (#   2677:25  Unique         4.16, 5.18 A)
 &rst
  ixpk= 2677, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 776, 777,
 igr2= 218, 219,
 &end
#
#    0 AMB  25-2:2678     0 AMB  25-1:2678   5.50    (#   2678:25  Double Ambig)
 &rst
  ixpk= 2678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 776, 777, 149, 150,
 igr2= 218, 219, 218, 219,
 &end
#
#   48 PRO  HB+          13 GLY  HA-         4.50    (#   2679:25  Unique         1.93, 3.41 A)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 779, 780,
 igr2= 218, 219,
 &end
#
#  141 ASN  HB+         126 GLY  HA-         5.50    (#   2680:25  Unique         2.00, 3.92 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2200,2201,
 igr2=1966,1967,
 &end
#
#  141 ASN  HB-         126 GLY  HA-         4.50    (#   2681:25  Unique         2.00, 3.92 A)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2200,2201,
 igr2=1966,1967,
 &end
#
#  104 THR  MG2         142 LEU  HB+         3.50    (#   2682:25  Unique         2.56, 4.06 A)
 &rst
  ixpk= 2682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1621,1622,1623,
 igr2=2214,2215,
 &end
#
#  104 THR  MG2         142 LEU  HB-         4.50    (#   2683:25  Unique         2.56, 4.06 A)
 &rst
  ixpk= 2683, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1621,1622,1623,
 igr2=2214,2215,
 &end
#
#  142 LEU  MDY         142 LEU  HB-         4.50    (#   2684:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=2214,2215,
 &end
#
#    0 AMB  25-2:2685   102 LEU  HB-         3.50    (#   2685:25  Single Ambig)
 &rst
  ixpk= 2685, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1586,1587,
 &end
#
#  144 TYR  HE          146 GLY  HA-         4.50    (#   2687:25  Unique         4.22, 5.47 A)
 &rst
  ixpk= 2687, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2249,2254,
 igr2=2278,2279,
 &end
#
#  144 TYR  HE          146 GLY  HA+         5.50    (#   2690:25  Unique         4.22, 5.47 A)
 &rst
  ixpk= 2690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2249,2254,
 igr2=2278,2279,
 &end
#
#  102 LEU  HA          102 LEU  HB-         4.50    (#   2691:25  Unique         2.28, 2.45 A)
 &rst
  ixpk= 2691, nxpk= 25, iat=1584,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1586,1587,
 &end
#
#   46 PHE  HD           46 PHE  HB+         3.50    (#   2692:25  Unique         2.30, 3.04 A)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 741, 749,
 igr2= 737, 738,
 &end
#
#   47 LEU  HN           46 PHE  HB+         4.50    (#   2694:25  Unique         2.59, 2.79 A)
 &rst
  ixpk= 2694, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 737, 738,
 &end
#
#   82 VAL  HN           81 ASP  HB+         4.50    (#   2695:25  Unique         2.52, 3.22 A)
 &rst
  ixpk= 2695, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#    0 AMB  25-2:2696     0 AMB  25-1:2696   2.80    (#   2696:25  Double Ambig)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1297,1298,1299,1301,1302,1303,2070,2071,2072,2074,
      2075,2076,
 igr2=1283,1284,2053,2054,
 &end
#
#   35 TYR  HA           35 TYR  HB-         3.50    (#   2698:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 2698, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 547, 548,
 &end
#
#  113 ALA  HA          116 PHE  HB+         3.50    (#   2699:25  Unique         2.18, 2.81 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1788,1789,
 &end
#
#  113 ALA  HA          116 PHE  HB-         3.50    (#   2700:25  Unique         2.18, 2.81 A)
 &rst
  ixpk= 2700, nxpk= 25, iat=1753,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1788,1789,
 &end
#
#  144 TYR  HA          144 TYR  HB+         3.50    (#   2701:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 2701, nxpk= 25, iat=2241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2243,2244,
 &end
#
#   16 LEU  HA           19 ILE  HB          3.50    (#   2702:25  Unique         3.00, 3.08 A)
 &rst
  ixpk= 2702, nxpk= 25, iat= 255, 302, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 ILE  HA           19 ILE  HB          3.50    (#   2703:25  Unique         3.01, 3.01 A)
 &rst
  ixpk= 2703, nxpk= 25, iat= 300, 302, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2704     0 AMB  25-1:2704   4.50    (#   2704:25  Double Ambig)
 &rst
  ixpk= 2704, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1663,1664, 472, 473,
 igr2=1709,1710,1709,1710,
 &end
#
#    0 AMB  25-2:2705    93 GLU  HG-         3.50    (#   2705:25  Single Ambig)
 &rst
  ixpk= 2705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1461,1462,
 &end
#
#   62 PRO  HA           54 VAL  HB          3.50    (#   2706:25  Unique         3.37, 3.51 A)
 &rst
  ixpk= 2706, nxpk= 25, iat=1002, 872, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    1 MET  HA            1 MET  HB-         3.50    (#   2707:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 2707, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#  112 GLN  HE2+        112 GLN  HG-         4.50    (#   2708:25  Unique         2.14, 3.40 A)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1746,1747,
 igr2=1741,1742,
 &end
#
#  104 THR  HA           73 MET  HB+         4.50    (#   2711:25  Unique         1.98, 2.85 A)
 &rst
  ixpk= 2711, nxpk= 25, iat=1617,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1160,1161,
 &end
#
#  127 ARG  HD+         127 ARG  HB+         5.50    (#   2712:25  Unique         2.38, 3.01 A)
 &rst
  ixpk= 2712, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1981,1982,
 igr2=1975,1976,
 &end
#
#  127 ARG  HD-         127 ARG  HB+         4.50    (#   2713:25  Unique         2.38, 3.01 A)
 &rst
  ixpk= 2713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1981,1982,
 igr2=1975,1976,
 &end
#
#  127 ARG  HD-         127 ARG  HB-         4.50    (#   2714:25  Unique         2.38, 3.01 A)
 &rst
  ixpk= 2714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1981,1982,
 igr2=1975,1976,
 &end
#
#  127 ARG  HD+         127 ARG  HB-         4.50    (#   2715:25  Unique         2.38, 3.01 A)
 &rst
  ixpk= 2715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1981,1982,
 igr2=1975,1976,
 &end
#
#   62 PRO  HD-           0 AMB  25-1:2716   3.50    (#   2716:25  Single Ambig)
 &rst
  ixpk= 2716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 993, 994,
 igr2= 982, 983, 982, 983,
 &end
#
#   57 ASN  HD2-          0 AMB  25-1:2717   3.50    (#   2717:25  Single Ambig)
 &rst
  ixpk= 2717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 919, 920,
 igr2= 982, 983, 982, 983,
 &end
#
#  101 GLU  HN          100 PRO  HB+         4.50    (#   2718:25  Unique         3.33, 3.75 A)
 &rst
  ixpk= 2718, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1560,1561,
 &end
#
#   21 CYS  HN           21 CYS  HB-         4.50    (#   2719:25  Unique         2.14, 2.56 A)
 &rst
  ixpk= 2719, nxpk= 25, iat= 341,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 345, 346,
 &end
#
#   22 ARG  HN           21 CYS  HB-         4.50    (#   2720:25  Unique         2.73, 3.51 A)
 &rst
  ixpk= 2720, nxpk= 25, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 345, 346,
 &end
#
#   18 ALA  HA           21 CYS  HB-         4.50    (#   2721:25  Unique         2.84, 3.25 A)
 &rst
  ixpk= 2721, nxpk= 25, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 345, 346,
 &end
#
#    0 AMB  25-2:2723    24 VAL  MGY         3.50    (#   2723:25  Single Ambig)
 &rst
  ixpk= 2723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 343, 389,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#    0 AMB  25-2:2724    95 ALA  MB          4.50    (#   2724:25  Single Ambig)
 &rst
  ixpk= 2724, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1490,1491,1492,
 &end
#
#   53 TRP  HB+           5 ILE  MG2         4.50    (#   2725:25  Unique         2.14, 2.99 A)
 &rst
  ixpk= 2725, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 848, 849,
 igr2=  73,  74,  75,
 &end
#
#   66 MET  ME            5 ILE  MG2         5.50    (#   2726:25  Unique         3.30, 4.74 A)
 &rst
  ixpk= 2726, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1060,1061,1062,
 igr2=  73,  74,  75,
 &end
#
#  142 LEU  HB-         104 THR  MG2         3.50    (#   2727:25  Unique         2.56, 4.06 A)
 &rst
  ixpk= 2727, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2214,2215,
 igr2=1621,1622,1623,
 &end
#
#  106 VAL  MGY         104 THR  MG2         4.50    (#   2728:25  Unique         4.66, 6.89 A)
 &rst
  ixpk= 2728, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1649,1650,1651,1653,1654,1655,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  25-2:2729   104 THR  MG2         4.50    (#   2729:25  Single Ambig)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1591,1592,1593,1595,1596,1597,1649,1650,1651,1653,
      1654,1655,
 igr2=1621,1622,1623,
 &end
#
#  142 LEU  MDX         104 THR  MG2         5.50    (#   2730:25  Unique         2.82, 4.95 A)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1621,1622,1623,
 &end
#
#    0 AMB  25-2:2731    19 ILE  MG2         5.50    (#   2731:25  Single Ambig)
 &rst
  ixpk= 2731, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1257,1258, 321, 322,
 igr2= 304, 305, 306,
 &end
#
#   23 SER  HB+          19 ILE  MG2         5.50    (#   2732:25  Unique         3.22, 5.05 A)
 &rst
  ixpk= 2732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 380, 381,
 igr2= 304, 305, 306,
 &end
#
#  117 TYR  HN          117 TYR  HA          3.50    (#   2734:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 2734, nxpk= 25, iat=1804,1806, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ALA  HN           55 ALA  HA          3.50    (#   2735:25  Unique         2.92, 2.92 A)
 &rst
  ixpk= 2735, nxpk= 25, iat= 884, 886, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  145 VAL  HN          145 VAL  HA          3.50    (#   2736:25  Unique         2.94, 2.95 A)
 &rst
  ixpk= 2736, nxpk= 25, iat=2260,2262, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2737   145 VAL  HA          2.80    (#   2737:25  Single Ambig)
 &rst
  ixpk= 2737, nxpk= 25, iat=  -1,2262, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#  145 VAL  HB          145 VAL  HA          3.50    (#   2738:25  Unique         2.56, 2.97 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=2264,2262, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 THR  HN          143 ALA  HA          3.50    (#   2739:25  Unique         3.48, 3.50 A)
 &rst
  ixpk= 2739, nxpk= 25, iat=1615,2231, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 THR  HB          143 ALA  HA          4.50    (#   2740:25  Unique         3.68, 3.77 A)
 &rst
  ixpk= 2740, nxpk= 25, iat=1605,2231, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  144 TYR  HB+         143 ALA  HA          4.50    (#   2741:25  Unique         4.34, 4.68 A)
 &rst
  ixpk= 2741, nxpk= 25, iat=  -1,2231, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2243,2244,
 &end
#
#  144 TYR  HB-         143 ALA  HA          4.50    (#   2742:25  Unique         4.34, 4.68 A)
 &rst
  ixpk= 2742, nxpk= 25, iat=  -1,2231, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2243,2244,
 &end
#
#   95 ALA  HN           92 VAL  HA          4.50    (#   2744:25  Unique         3.46, 3.51 A)
 &rst
  ixpk= 2744, nxpk= 25, iat=1486,1440, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 LEU  HG           43 VAL  HA          5.50    (#   2745:25  Unique         3.67, 3.73 A)
 &rst
  ixpk= 2745, nxpk= 25, iat= 760, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 VAL  HB           87 VAL  HA          2.80    (#   2746:25  Unique         2.39, 2.47 A)
 &rst
  ixpk= 2746, nxpk= 25, iat=1407,1358, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:2747    90 VAL  HA          5.50    (#   2747:25  Single Ambig)
 &rst
  ixpk= 2747, nxpk= 25, iat=  -1,1405, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1386,1387,1423,1424,
 &end
#
#  139 LEU  HB-         128 SER  HB-         4.50    (#   2748:25  Unique         3.70, 4.68 A)
 &rst
  ixpk= 2748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2162,2163,
 igr2=1999,2000,
 &end
#
#    0 AMB  25-2:2749    80 PRO  HA          5.50    (#   2749:25  Single Ambig)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,1275, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1317,1318,1317,1318,
 &end
#
#   96 LEU  HB-         100 PRO  HA          5.50    (#   2750:25  Unique         3.70, 4.54 A)
 &rst
  ixpk= 2750, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1500,1501,
 &end
#
#    0 AMB  25-2:2751     0 AMB  25-1:2751   4.50    (#   2751:25  Double Ambig)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1266,1267,2145,2146,
 igr2= 380, 381,2154,
 &end
#
#   21 CYS  HB-          21 CYS  HA          2.80    (#   2752:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1, 343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 345, 346,
 &end
#
#   19 ILE  MG2          20 TRP  HA          4.50    (#   2753:25  Unique         3.09, 4.12 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1, 319, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 304, 305, 306,
 &end
#
#   98 MET  HN            0 AMB  25-1:2754   4.50    (#   2754:25  Single Ambig)
 &rst
  ixpk= 2754, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1519,1520,1519,1520,
 &end
#
#   97 SER  HA            0 AMB  25-1:2756   2.80    (#   2756:25  Single Ambig)
 &rst
  ixpk= 2756, nxpk= 25, iat=1517,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1519,1520,1519,1520,
 &end
#
#    0 AMB  25-2:2757   120 VAL  HA          4.50    (#   2757:25  Single Ambig)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1851,1852,1851,1852,
 &end
#
#  119 LYS  HN          116 PHE  HA          5.50    (#   2758:25  Unique         3.61, 3.66 A)
 &rst
  ixpk= 2758, nxpk= 25, iat=1847,1786, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 TYR  HN          116 PHE  HA          4.50    (#   2759:25  Unique         3.51, 3.53 A)
 &rst
  ixpk= 2759, nxpk= 25, iat=1804,1786, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 LYS  HD-         116 PHE  HA          5.50    (#   2761:25  Unique         2.41, 4.40 A)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1857,1858,
 &end
#
#   79 ASP  HB+          63 VAL  HA          4.50    (#   2762:25  Unique         2.91, 3.84 A)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,1008, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1257,1258,
 &end
#
#   63 VAL  HN           63 VAL  HA          4.50    (#   2763:25  Unique         2.91, 2.93 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=1006,1008, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 VAL  HN           82 VAL  HA          4.50    (#   2764:25  Unique         2.83, 2.93 A)
 &rst
  ixpk= 2764, nxpk= 25, iat=1291,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 VAL  HN           89 ARG  HA          4.50    (#   2765:25  Unique         3.44, 3.46 A)
 &rst
  ixpk= 2765, nxpk= 25, iat=1403,1381, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2766    45 SER  HA          4.50    (#   2766:25  Single Ambig)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1, 724, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 702, 703, 790, 791,
 &end
#
#  122 PHE  HN          118 LYS  HA          4.50    (#   2767:25  Unique         3.15, 3.29 A)
 &rst
  ixpk= 2767, nxpk= 25, iat=1892,1827, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 ARG  HD-          36 ARG  HA          4.50    (#   2770:25  Unique         2.03, 3.23 A)
 &rst
  ixpk= 2770, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 574, 575,
 &end
#
#   94 HIS  HB-          91 LEU  HA          4.50    (#   2771:25  Unique         2.89, 3.51 A)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1473,1474,
 &end
#
#   78 ILE  HG1-         78 ILE  HA          4.50    (#   2772:25  Unique         2.64, 2.97 A)
 &rst
  ixpk= 2772, nxpk= 25, iat=  -1,1236, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1244,1245,
 &end
#
#   78 ILE  MD1          78 ILE  HA          4.50    (#   2773:25  Unique         4.34, 4.68 A)
 &rst
  ixpk= 2773, nxpk= 25, iat=  -1,1236, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1247,1248,1249,
 &end
#
#   54 VAL  MGY           8 SER  HA          3.50    (#   2774:25  Unique         2.31, 3.72 A)
 &rst
  ixpk= 2774, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HN            7 ARG  HA          3.50    (#   2775:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 2775, nxpk= 25, iat= 868, 112, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 PHE  HN           66 MET  HA          4.50    (#   2776:25  Unique         4.24, 4.42 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=1214,1051, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2779   131 ASP  HA          3.50    (#   2779:25  Single Ambig)
 &rst
  ixpk= 2779, nxpk= 25, iat=  -1,2039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2049,2123,
 &end
#
#  141 ASN  HD2+        105 ASN  HA          5.50    (#   2780:25  Unique         2.37, 3.34 A)
 &rst
  ixpk= 2780, nxpk= 25, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2205,2206,
 &end
#
#    0 AMB  25-2:2781    57 ASN  HA          4.50    (#   2781:25  Single Ambig)
 &rst
  ixpk= 2781, nxpk= 25, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=  15,  16,  17, 928, 929, 928, 929,
 &end
#
#  137 TYR  HA          138 PRO  HD+         2.80    (#   2782:25  Unique         2.22, 2.71 A)
 &rst
  ixpk= 2782, nxpk= 25, iat=2125,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2145,2146,
 &end
#
#  137 TYR  HA          138 PRO  HD-         2.80    (#   2783:25  Unique         2.22, 2.71 A)
 &rst
  ixpk= 2783, nxpk= 25, iat=2125,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2145,2146,
 &end
#
#  135 LYS  HB-         136 PRO  HD-         3.50    (#   2784:25  Unique         2.04, 3.38 A)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2091,2092,
 igr2=2110,2111,
 &end
#
#    0 AMB  25-2:2785   136 PRO  HD-         5.50    (#   2785:25  Single Ambig)
 &rst
  ixpk= 2785, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2094,2095,2094,2095,
 igr2=2110,2111,
 &end
#
#  135 LYS  HB+         136 PRO  HD+         4.50    (#   2786:25  Unique         2.04, 3.38 A)
 &rst
  ixpk= 2786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2091,2092,
 igr2=2110,2111,
 &end
#
#    0 AMB  25-2:2788     0 AMB  25-1:2788   4.50    (#   2788:25  Double Ambig)
 &rst
  ixpk= 2788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 igr2=2278,2279,2278,2279,
 &end
#
#   52 LEU  MDX          52 LEU  HB+         4.50    (#   2789:25  Unique         2.16, 3.26 A)
 &rst
  ixpk= 2789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 829, 830,
 &end
#
#    0 AMB  25-2:2790     0 AMB  25-1:2790   2.80    (#   2790:25  Double Ambig)
 &rst
  ixpk= 2790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 152, 153, 152, 153, 149, 150,
 igr2= 155, 156, 155, 156, 155, 156,
 &end
#
#    0 AMB  25-2:2791     0 AMB  25-1:2791   2.80    (#   2791:25  Double Ambig)
 &rst
  ixpk= 2791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
 igr1= 946, 947, 946, 947, 152, 153, 152, 153, 149, 150,
      
 igr2= 949, 950, 155, 156,
 &end
#
#   31 LEU  MDX          31 LEU  HB+         4.50    (#   2792:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 492, 493,
 &end
#
#   77 PHE  HD           77 PHE  HB-         3.50    (#   2793:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 2793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1222,1230,
 igr2=1218,1219,
 &end
#
#   46 PHE  HN           46 PHE  HB+         2.80    (#   2795:25  Unique         2.56, 3.01 A)
 &rst
  ixpk= 2795, nxpk= 25, iat= 733,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 737, 738,
 &end
#
#   93 GLU  HA           96 LEU  HB-         4.50    (#   2796:25  Unique         2.45, 3.14 A)
 &rst
  ixpk= 2796, nxpk= 25, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1500,1501,
 &end
#
#    0 AMB  25-2:2797    42 LEU  HB-         3.50    (#   2797:25  Single Ambig)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 619, 726, 727,
 igr2= 667, 668,
 &end
#
#    0 AMB  25-2:2798   119 LYS  HE-         4.50    (#   2798:25  Single Ambig)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1851,1852,1851,1852,
 igr2=1860,1861,
 &end
#
#  139 LEU  HB-         105 ASN  HB-         4.50    (#   2801:25  Unique         3.64, 5.07 A)
 &rst
  ixpk= 2801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2162,2163,
 igr2=1633,1634,
 &end
#
#   43 VAL  MGY          47 LEU  HB+         4.50    (#   2802:25  Unique         2.67, 5.58 A)
 &rst
  ixpk= 2802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 757, 758,
 &end
#
#   17 VAL  MGX          47 LEU  HB-         4.50    (#   2803:25  Unique         2.25, 4.50 A)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 278, 279, 280, 282, 283, 284,
 igr2= 757, 758,
 &end
#
#    2 VAL  HA            3 ILE  HB          4.50    (#   2804:25  Unique         4.65, 4.66 A)
 &rst
  ixpk= 2804, nxpk= 25, iat=  23,  41, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 PHE  HN           30 PHE  HB+         4.50    (#   2806:25  Unique         2.36, 3.17 A)
 &rst
  ixpk= 2806, nxpk= 25, iat= 468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 472, 473,
 &end
#
#   36 ARG  HN           35 TYR  HB+         4.50    (#   2808:25  Unique         2.62, 3.69 A)
 &rst
  ixpk= 2808, nxpk= 25, iat= 564,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 547, 548,
 &end
#
#   30 PHE  HN           30 PHE  HB-         4.50    (#   2809:25  Unique         2.36, 3.17 A)
 &rst
  ixpk= 2809, nxpk= 25, iat= 468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 472, 473,
 &end
#
#   53 TRP  HB+          66 MET  HB+         4.50    (#   2810:25  Unique         2.11, 3.81 A)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 848, 849,
 igr2=1053,1054,
 &end
#
#    0 AMB  25-2:2811     0 AMB  25-1:2811   3.50    (#   2811:25  Double Ambig)
 &rst
  ixpk= 2811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1134,1135, 332,
 igr2=1574,1575, 643, 644,
 &end
#
#   71 GLN  HE2-        101 GLU  HG-         3.50    (#   2812:25  Unique         3.65, 4.72 A)
 &rst
  ixpk= 2812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1134,1135,
 igr2=1574,1575,
 &end
#
#   12 GLU  HN            0 AMB  25-1:2813   3.50    (#   2813:25  Single Ambig)
 &rst
  ixpk= 2813, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 193, 194, 193, 194,
 &end
#
#   39 LEU  HN           38 GLU  HG+         5.50    (#   2815:25  Unique         4.34, 4.84 A)
 &rst
  ixpk= 2815, nxpk= 25, iat= 617,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#   35 TYR  HA           38 GLU  HG+         5.50    (#   2816:25  Unique         4.00, 4.70 A)
 &rst
  ixpk= 2816, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 609, 610,
 &end
#
#  134 GLY  HN          130 VAL  HB          4.50    (#   2820:25  Unique         3.22, 3.25 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=2080,2025, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 ALA  HN          112 GLN  HG+         5.50    (#   2821:25  Unique         4.23, 4.67 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=1751,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1741,1742,
 &end
#
#  112 GLN  HE2-        112 GLN  HG+         5.50    (#   2822:25  Unique         2.14, 3.40 A)
 &rst
  ixpk= 2822, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1746,1747,
 igr2=1741,1742,
 &end
#
#  128 SER  HN          127 ARG  HB+         4.50    (#   2823:25  Unique         2.80, 3.44 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=1995,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1975,1976,
 &end
#
#   73 MET  HN           72 HIS  HB-         5.50    (#   2824:25  Unique         3.19, 4.18 A)
 &rst
  ixpk= 2824, nxpk= 25, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1143,1144,
 &end
#
#  138 PRO  HD-         138 PRO  HB+         4.50    (#   2826:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2826, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2145,2146,
 igr2=2151,2152,
 &end
#
#    9 ARG  HD+           9 ARG  HB+         4.50    (#   2827:25  Unique         2.23, 3.07 A)
 &rst
  ixpk= 2827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 155, 156,
 igr2= 149, 150,
 &end
#
#   13 GLY  HA-          48 PRO  HB-         4.50    (#   2828:25  Unique         1.93, 3.41 A)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 218, 219,
 igr2= 779, 780,
 &end
#
#    5 ILE  MG2          53 TRP  HB+         4.50    (#   2829:25  Unique         2.14, 2.99 A)
 &rst
  ixpk= 2829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  73,  74,  75,
 igr2= 848, 849,
 &end
#
#  108 GLU  HN          108 GLU  HB+         3.50    (#   2830:25  Unique         2.07, 2.62 A)
 &rst
  ixpk= 2830, nxpk= 25, iat=1673,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1677,1678,
 &end
#
#   28 HIS  HB-          24 VAL  HB          4.50    (#   2831:25  Unique         3.86, 4.84 A)
 &rst
  ixpk= 2831, nxpk= 25, iat=  -1, 391, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 443, 444,
 &end
#
#  136 PRO  HD-         135 LYS  HB+         5.50    (#   2832:25  Unique         2.04, 3.38 A)
 &rst
  ixpk= 2832, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2110,2111,
 igr2=2091,2092,
 &end
#
#  130 VAL  HN          129 GLU  HB+         5.50    (#   2833:25  Unique         2.45, 3.13 A)
 &rst
  ixpk= 2833, nxpk= 25, iat=2021,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2010,2011,
 &end
#
#  130 VAL  HN          129 GLU  HB-         4.50    (#   2834:25  Unique         2.45, 3.13 A)
 &rst
  ixpk= 2834, nxpk= 25, iat=2021,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2010,2011,
 &end
#
#   99 ALA  MB           71 GLN  HB-         4.50    (#   2835:25  Unique         2.00, 4.04 A)
 &rst
  ixpk= 2835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1547,1548,1549,
 igr2=1126,1127,
 &end
#
#  125 THR  MG2         123 LYS  HD-         5.50    (#   2836:25  Unique         2.15, 4.47 A)
 &rst
  ixpk= 2836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1956,1957,1958,
 igr2=1922,1923,
 &end
#
#    0 AMB  25-2:2838     0 AMB  25-1:2838   2.80    (#   2838:25  Double Ambig)
 &rst
  ixpk= 2838, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.29, r4= 7.04,
 igr1=2070,2071,2072,2074,2075,2076,2186,2187,2188,2190,
      2191,2192,2094,2095,2094,2095,
 igr2=2097,2098,1978,1979,2097,2098,2097,2098,
 &end
#
#   96 LEU  HA          102 LEU  MDY         4.50    (#   2839:25  Unique         2.00, 4.23 A)
 &rst
  ixpk= 2839, nxpk= 25, iat=1498,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#   96 LEU  HN          102 LEU  MDY         5.50    (#   2840:25  Unique         3.75, 5.25 A)
 &rst
  ixpk= 2840, nxpk= 25, iat=1496,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  102 LEU  HN          102 LEU  MDY         4.50    (#   2841:25  Unique         3.04, 4.48 A)
 &rst
  ixpk= 2841, nxpk= 25, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:2842   102 LEU  MDY         5.50    (#   2842:25  Single Ambig)
 &rst
  ixpk= 2842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1584,1605,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:2843   102 LEU  MDY         5.50    (#   2843:25  Single Ambig)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1488,1440,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:2844   102 LEU  MDY         2.80    (#   2844:25  Single Ambig)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1589,1490,1491,1492,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:2846     0 AMB  25-1:2846   5.50    (#   2846:25  Double Ambig)
 &rst
  ixpk= 2846, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2125,2160,
 igr2=2148,2149,2116,2117,
 &end
#
#  136 PRO  HD+         136 PRO  HB+         4.50    (#   2847:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2110,2111,
 igr2=2116,2117,
 &end
#
#   43 VAL  HN           42 LEU  HG          4.50    (#   2848:25  Unique         2.05, 2.08 A)
 &rst
  ixpk= 2848, nxpk= 25, iat= 682, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ILE  HN            5 ILE  HG1-        4.50    (#   2849:25  Unique         2.56, 3.43 A)
 &rst
  ixpk= 2849, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  77,  78,
 &end
#
#   24 VAL  MGX          28 HIS  HB-         4.50    (#   2850:25  Unique         2.00, 4.28 A)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 393, 394, 395, 397, 398, 399,
 igr2= 443, 444,
 &end
#
#   52 LEU  HN           52 LEU  HG          3.50    (#   2851:25  Unique         1.91, 1.92 A)
 &rst
  ixpk= 2851, nxpk= 25, iat= 825, 832, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 LEU  HA           96 LEU  HG          4.50    (#   2852:25  Unique         2.75, 2.78 A)
 &rst
  ixpk= 2852, nxpk= 25, iat=1498,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 LYS  HN          118 LYS  HG+         4.50    (#   2853:25  Unique         3.51, 4.06 A)
 &rst
  ixpk= 2853, nxpk= 25, iat=1825,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1832,1833,
 &end
#
#  118 LYS  HA          118 LYS  HG+         5.50    (#   2854:25  Unique         2.03, 2.65 A)
 &rst
  ixpk= 2854, nxpk= 25, iat=1827,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1832,1833,
 &end
#
#  119 LYS  HA          119 LYS  HG+         5.50    (#   2855:25  Unique         2.04, 2.96 A)
 &rst
  ixpk= 2855, nxpk= 25, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1854,1855,
 &end
#
#  119 LYS  HA          119 LYS  HG-         5.50    (#   2856:25  Unique         2.04, 2.96 A)
 &rst
  ixpk= 2856, nxpk= 25, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1854,1855,
 &end
#
#   93 GLU  HG-          96 LEU  MDX         4.50    (#   2857:25  Unique         3.87, 6.77 A)
 &rst
  ixpk= 2857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1461,1462,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#    0 AMB  25-2:2858    96 LEU  MDX         5.50    (#   2858:25  Single Ambig)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1586,1587,1560,1561,1167,1168,1169,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#    6 ARG  HN            6 ARG  HG+         4.50    (#   2859:25  Unique         2.07, 2.87 A)
 &rst
  ixpk= 2859, nxpk= 25, iat=  86,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  93,  94,
 &end
#
#   63 VAL  HN           54 VAL  MGY         4.50    (#   2860:25  Unique         4.90, 6.81 A)
 &rst
  ixpk= 2860, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   72 HIS  HD2          67 LEU  MDX         4.50    (#   2861:25  Unique         4.81, 6.40 A)
 &rst
  ixpk= 2861, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#  125 THR  HB          143 ALA  MB          5.50    (#   2862:25  Unique         5.14, 5.86 A)
 &rst
  ixpk= 2862, nxpk= 25, iat=1954,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2233,2234,2235,
 &end
#
#    0 AMB  25-2:2863    91 LEU  MDX         5.50    (#   2863:25  Single Ambig)
 &rst
  ixpk= 2863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 886,  69,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  25-2:2864   103 THR  MG2         5.50    (#   2864:25  Single Ambig)
 &rst
  ixpk= 2864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1126,1127,2243,2244,
 igr2=1607,1608,1609,
 &end
#
#    0 AMB  25-2:2865   103 THR  MG2         5.50    (#   2865:25  Single Ambig)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1571,1572,1160,1161,
 igr2=1607,1608,1609,
 &end
#
#   26 ALA  HN           27 THR  MG2         4.50    (#   2866:25  Unique         4.33, 5.51 A)
 &rst
  ixpk= 2866, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 431, 432, 433,
 &end
#
#   57 ASN  HD2-         63 VAL  MGY         4.50    (#   2867:25  Unique         2.55, 4.61 A)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 919, 920,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:2868    82 VAL  MGX         5.50    (#   2868:25  Single Ambig)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1307, 919, 920,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#  123 LYS  HE-         145 VAL  MGX         5.50    (#   2872:25  Unique         4.90, 6.52 A)
 &rst
  ixpk= 2872, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1925,1926,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  122 PHE  HA          145 VAL  MGX         4.50    (#   2873:25  Unique         3.81, 5.99 A)
 &rst
  ixpk= 2873, nxpk= 25, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#    1 MET  ME           82 VAL  MGY         2.80    (#   2875:25  Unique         2.02, 5.01 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  15,  16,  17,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#    1 MET  ME           63 VAL  MGX         4.50    (#   2876:25  Unique         3.93, 6.34 A)
 &rst
  ixpk= 2876, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=  15,  16,  17,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:2877    63 VAL  MGX         4.50    (#   2877:25  Single Ambig)
 &rst
  ixpk= 2877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 979, 980, 979, 980,1360,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   52 LEU  HN           50 ALA  MB          5.50    (#   2878:25  Unique         3.64, 4.53 A)
 &rst
  ixpk= 2878, nxpk= 25, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 805, 806, 807,
 &end
#
#   94 HIS  HN           66 MET  ME          5.50    (#   2880:25  Unique         4.34, 5.20 A)
 &rst
  ixpk= 2880, nxpk= 25, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1060,1061,1062,
 &end
#
#   53 TRP  HN           66 MET  ME          5.50    (#   2881:25  Unique         4.42, 5.30 A)
 &rst
  ixpk= 2881, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1060,1061,1062,
 &end
#
#    5 ILE  MG2          66 MET  ME          5.50    (#   2883:25  Unique         3.30, 4.74 A)
 &rst
  ixpk= 2883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  73,  74,  75,
 igr2=1060,1061,1062,
 &end
#
#   85 CYS  HB+           1 MET  ME          4.50    (#   2886:25  Unique         2.73, 4.49 A)
 &rst
  ixpk= 2886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1342,1343,
 igr2=  15,  16,  17,
 &end
#
#   57 ASN  HA            1 MET  ME          5.50    (#   2887:25  Unique         3.49, 4.80 A)
 &rst
  ixpk= 2887, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   82 VAL  HA            1 MET  ME          5.50    (#   2889:25  Unique         3.25, 5.46 A)
 &rst
  ixpk= 2889, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   57 ASN  HB+           1 MET  ME          5.50    (#   2890:25  Unique         2.09, 3.48 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 914, 915,
 igr2=  15,  16,  17,
 &end
#
#   85 CYS  HB-           1 MET  ME          4.50    (#   2891:25  Unique         2.73, 4.49 A)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1342,1343,
 igr2=  15,  16,  17,
 &end
#
#   73 MET  HN           73 MET  ME          5.50    (#   2892:25  Unique         5.23, 6.24 A)
 &rst
  ixpk= 2892, nxpk= 25, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1167,1168,1169,
 &end
#
#    0 AMB  25-2:2893    73 MET  ME          5.50    (#   2893:25  Single Ambig)
 &rst
  ixpk= 2893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1615,1438,
 igr2=1167,1168,1169,
 &end
#
#   20 TRP  HN           19 ILE  MG2         5.50    (#   2895:25  Unique         3.03, 3.85 A)
 &rst
  ixpk= 2895, nxpk= 25, iat= 317,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 304, 305, 306,
 &end
#
#   77 PHE  HB-          19 ILE  MG2         4.50    (#   2896:25  Unique         3.09, 4.31 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1218,1219,
 igr2= 304, 305, 306,
 &end
#
#    5 ILE  HN            5 ILE  MD1         4.50    (#   2897:25  Unique         3.56, 4.46 A)
 &rst
  ixpk= 2897, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  80,  81,  82,
 &end
#
#   57 ASN  HA            3 ILE  MD1         4.50    (#   2898:25  Unique         1.99, 2.85 A)
 &rst
  ixpk= 2898, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  50,  51,  52,
 &end
#
#  135 LYS  HN          135 LYS  HB+         4.50    (#   2899:25  Unique         2.69, 3.23 A)
 &rst
  ixpk= 2899, nxpk= 25, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2091,2092,
 &end
#
#  142 LEU  HN          141 ASN  HB-         4.50    (#   2900:25  Unique         3.43, 4.03 A)
 &rst
  ixpk= 2900, nxpk= 25, iat=2210,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2200,2201,
 &end
#
#  137 TYR  HN          137 TYR  HA          4.50    (#   2901:25  Unique         2.82, 2.85 A)
 &rst
  ixpk= 2901, nxpk= 25, iat=2123,2125, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  137 TYR  HN          136 PRO  HA          3.50    (#   2902:25  Unique         2.35, 2.46 A)
 &rst
  ixpk= 2902, nxpk= 25, iat=2123,2119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  136 PRO  HG+         136 PRO  HA          3.50    (#   2903:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 2903, nxpk= 25, iat=  -1,2119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2113,2114,
 &end
#
#  127 ARG  HN          127 ARG  HB+         4.50    (#   2904:25  Unique         2.19, 3.44 A)
 &rst
  ixpk= 2904, nxpk= 25, iat=1971,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1975,1976,
 &end
#
#  127 ARG  HN          127 ARG  HB-         4.50    (#   2905:25  Unique         2.19, 3.44 A)
 &rst
  ixpk= 2905, nxpk= 25, iat=1971,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1975,1976,
 &end
#
#  131 ASP  HN          131 ASP  HA          4.50    (#   2906:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 2906, nxpk= 25, iat=2037,2039, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2907   133 LEU  HA          2.80    (#   2907:25  Single Ambig)
 &rst
  ixpk= 2907, nxpk= 25, iat=  -1,2063, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2061,2080,
 &end
#
#    0 AMB  25-2:2908   133 LEU  HB-         3.50    (#   2908:25  Single Ambig)
 &rst
  ixpk= 2908, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2061,2080,
 igr2=2065,2066,
 &end
#
#  113 ALA  HN          113 ALA  MB          2.80    (#   2909:25  Unique         2.08, 2.89 A)
 &rst
  ixpk= 2909, nxpk= 25, iat=1751,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1755,1756,1757,
 &end
#
#  115 GLY  HN          114 VAL  HA          5.50    (#   2910:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 2910, nxpk= 25, iat=1777,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 VAL  HB          117 TYR  HA          4.50    (#   2911:25  Unique         3.49, 3.73 A)
 &rst
  ixpk= 2911, nxpk= 25, iat=1873,1806, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 GLU  HN          101 GLU  HA          2.80    (#   2912:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2912, nxpk= 25, iat=1567,1569, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASN  HD2-        105 ASN  HB-         4.50    (#   2913:25  Unique         2.12, 3.18 A)
 &rst
  ixpk= 2913, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1638,1639,
 igr2=1633,1634,
 &end
#
#  108 GLU  HN          107 ASN  HB-         4.50    (#   2914:25  Unique         2.87, 3.91 A)
 &rst
  ixpk= 2914, nxpk= 25, iat=1673,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1663,1664,
 &end
#
#  109 GLN  HN          108 GLU  HA          5.50    (#   2915:25  Unique         3.28, 3.44 A)
 &rst
  ixpk= 2915, nxpk= 25, iat=1688,1675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  110 ASN  HB+         110 ASN  HA          3.50    (#   2916:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 2916, nxpk= 25, iat=  -1,1707, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1709,1710,
 &end
#
#   93 GLU  HG+          90 VAL  HA          5.50    (#   2917:25  Unique         2.83, 4.28 A)
 &rst
  ixpk= 2917, nxpk= 25, iat=  -1,1405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1461,1462,
 &end
#
#    0 AMB  25-2:2918    90 VAL  HB          4.50    (#   2918:25  Single Ambig)
 &rst
  ixpk= 2918, nxpk= 25, iat=  -1,1407, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  80,  81,  82,1247,1248,1249,
 &end
#
#   92 VAL  HN           91 LEU  HB+         4.50    (#   2919:25  Unique         2.82, 3.11 A)
 &rst
  ixpk= 2919, nxpk= 25, iat=1438,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#   94 HIS  HN           91 LEU  HA          3.50    (#   2920:25  Unique         3.50, 3.52 A)
 &rst
  ixpk= 2920, nxpk= 25, iat=1469,1421, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 VAL  HN           91 LEU  HB-         5.50    (#   2921:25  Unique         2.82, 3.11 A)
 &rst
  ixpk= 2921, nxpk= 25, iat=1438,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1423,1424,
 &end
#
#   76 LEU  MDY          91 LEU  HB+         3.50    (#   2922:25  Unique         2.15, 3.82 A)
 &rst
  ixpk= 2922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1204,1205,1206,1208,1209,1210,
 igr2=1423,1424,
 &end
#
#   93 GLU  HN           93 GLU  HB+         2.80    (#   2923:25  Unique         2.19, 2.87 A)
 &rst
  ixpk= 2923, nxpk= 25, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1458,1459,
 &end
#
#    0 AMB  25-2:2925    41 ASP  HA          4.50    (#   2925:25  Single Ambig)
 &rst
  ixpk= 2925, nxpk= 25, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 643, 644, 640, 641, 640, 641,
 &end
#
#   43 VAL  MGY          44 ARG  HA          4.50    (#   2926:25  Unique         3.86, 5.54 A)
 &rst
  ixpk= 2926, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   44 ARG  HN            0 AMB  25-1:2927   4.50    (#   2927:25  Single Ambig)
 &rst
  ixpk= 2927, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 705, 706, 705, 706,
 &end
#
#    5 ILE  HN            5 ILE  HA          3.50    (#   2928:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2928, nxpk= 25, iat=  67,  69, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 ARG  HN            9 ARG  HA          3.50    (#   2929:25  Unique         2.91, 2.94 A)
 &rst
  ixpk= 2929, nxpk= 25, iat= 145, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 LEU  HA           52 LEU  MDY         5.50    (#   2931:25  Unique         3.86, 4.74 A)
 &rst
  ixpk= 2931, nxpk= 25, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#  142 LEU  HN          142 LEU  HG          4.50    (#   2932:25  Unique         2.23, 2.31 A)
 &rst
  ixpk= 2932, nxpk= 25, iat=2210,2217, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 GLU  HN          101 GLU  HG-         2.80    (#   2933:25  Unique         2.64, 2.80 A)
 &rst
  ixpk= 2933, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1574,1575,
 &end
#
#   62 PRO  HD+          56 VAL  MGY         5.50    (#   2934:25  Unique         3.29, 5.88 A)
 &rst
  ixpk= 2934, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 993, 994,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   83 ARG  HN            0 AMB  25-1:2935   5.50    (#   2935:25  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 25, iat=1307,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1314,1315,1314,1315,
 &end
#
#    0 AMB  25-2:2936     0 AMB  25-1:2936   4.50    (#   2936:25  Double Ambig)
 &rst
  ixpk= 2936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1902,1906, 786,
 igr2=1873, 779, 780,
 &end
#
#   46 PHE  HN           46 PHE  HA          3.50    (#   2937:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2937, nxpk= 25, iat= 733, 735, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 ARG  HD+          59 ARG  HA          4.50    (#   2938:25  Unique         2.33, 3.83 A)
 &rst
  ixpk= 2938, nxpk= 25, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 949, 950,
 &end
#
#    0 AMB  25-2:2939   147 ALA  HA          4.50    (#   2939:25  Single Ambig)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,2285, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2278,2279,1887,1888,
 &end
#
#  104 THR  HN          143 ALA  MB          5.50    (#   2940:25  Unique         4.97, 5.63 A)
 &rst
  ixpk= 2940, nxpk= 25, iat=1615,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=2233,2234,2235,
 &end
#
#    0 AMB  25-2:2941   143 ALA  MB          4.50    (#   2941:25  Single Ambig)
 &rst
  ixpk= 2941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1605,1584,
 igr2=2233,2234,2235,
 &end
#
#  144 TYR  HB-         143 ALA  MB          4.50    (#   2942:25  Unique         4.79, 5.79 A)
 &rst
  ixpk= 2942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2243,2244,
 igr2=2233,2234,2235,
 &end
#
#  142 LEU  MDX         142 LEU  HB-         4.50    (#   2943:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 2943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=2214,2215,
 &end
#
#  136 PRO  HD-         136 PRO  HG-         3.50    (#   2944:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2110,2111,
 igr2=2113,2114,
 &end
#
#   69 SER  HN           68 LEU  HG          3.50    (#   2945:25  Unique         2.69, 2.94 A)
 &rst
  ixpk= 2945, nxpk= 25, iat=1104,1092, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 MET  HG+          95 ALA  HA          5.50    (#   2946:25  Unique         3.54, 4.39 A)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1533,1534,
 &end
#
#  136 PRO  HB+         136 PRO  HA          3.50    (#   2947:25  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2947, nxpk= 25, iat=  -1,2119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2116,2117,
 &end
#
#  127 ARG  HD+         127 ARG  HG+         4.50    (#   2948:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1981,1982,
 igr2=1978,1979,
 &end
#
#  127 ARG  HD+         127 ARG  HG-         4.50    (#   2949:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1981,1982,
 igr2=1978,1979,
 &end
#
#  123 LYS  HE-         123 LYS  HG+         4.50    (#   2950:25  Unique         2.11, 3.12 A)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1925,1926,
 igr2=1919,1920,
 &end
#
#  122 PHE  HA          122 PHE  HB+         5.50    (#   2951:25  Unique         2.58, 2.80 A)
 &rst
  ixpk= 2951, nxpk= 25, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1896,1897,
 &end
#
#  122 PHE  HA          122 PHE  HB-         4.50    (#   2952:25  Unique         2.58, 2.80 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1896,1897,
 &end
#
#  114 VAL  HN          106 VAL  MGY         4.50    (#   2953:25  Unique         2.93, 4.78 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  110 ASN  HD2-        110 ASN  HB-         4.50    (#   2954:25  Unique         2.12, 3.20 A)
 &rst
  ixpk= 2954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1714,1715,
 igr2=1709,1710,
 &end
#
#  109 GLN  HN          109 GLN  HG-         2.80    (#   2955:25  Unique         2.03, 3.03 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1695,1696,
 &end
#
#    0 AMB  25-2:2957   108 GLU  HA          5.50    (#   2957:25  Single Ambig)
 &rst
  ixpk= 2957, nxpk= 25, iat=  -1,1675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2177,1995,
 &end
#
#  108 GLU  HB+         108 GLU  HA          2.80    (#   2958:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 2958, nxpk= 25, iat=  -1,1675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1677,1678,
 &end
#
#  108 GLU  HG+         108 GLU  HA          2.80    (#   2959:25  Unique         2.03, 2.66 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=  -1,1675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1680,1681,
 &end
#
#  110 ASN  HB+         107 ASN  HB-         4.50    (#   2960:25  Unique         3.44, 4.67 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1709,1710,
 igr2=1663,1664,
 &end
#
#  110 ASN  HN          106 VAL  MGY         5.50    (#   2961:25  Unique         4.88, 6.67 A)
 &rst
  ixpk= 2961, nxpk= 25, iat=1705,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#   71 GLN  HE2-        101 GLU  HB-         4.50    (#   2962:25  Unique         2.59, 4.34 A)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1134,1135,
 igr2=1571,1572,
 &end
#
#  101 GLU  HN            0 AMB  25-1:2963   3.50    (#   2963:25  Single Ambig)
 &rst
  ixpk= 2963, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1557,1558,1557,1558,
 &end
#
#   98 MET  HA           98 MET  HB-         2.80    (#   2964:25  Unique         2.37, 2.69 A)
 &rst
  ixpk= 2964, nxpk= 25, iat=1528,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:2965    90 VAL  MGX         4.50    (#   2965:25  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1379,1372,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#    0 AMB  25-2:2966     0 AMB  25-1:2966   5.50    (#   2966:25  Double Ambig)
 &rst
  ixpk= 2966, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1419,1964,
 igr2=1204,1205,1206,1208,1209,1210,2186,2187,2188,2190,
      2191,2192,
 &end
#
#    0 AMB  25-2:2967     0 AMB  25-1:2967   4.50    (#   2967:25  Double Ambig)
 &rst
  ixpk= 2967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1423,1424,1360,
 igr2=1374,1375,1374,1375,
 &end
#
#   68 LEU  MDX          68 LEU  HB+         3.50    (#   2968:25  Unique         1.99, 3.22 A)
 &rst
  ixpk= 2968, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1089,1090,
 &end
#
#   77 PHE  HN           77 PHE  HB+         4.50    (#   2969:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 2969, nxpk= 25, iat=1214,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1218,1219,
 &end
#
#   19 ILE  MG2          77 PHE  HB+         4.50    (#   2970:25  Unique         3.09, 4.31 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 304, 305, 306,
 igr2=1218,1219,
 &end
#
#   77 PHE  HN           77 PHE  HB-         4.50    (#   2971:25  Unique         2.45, 3.09 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=1214,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1218,1219,
 &end
#
#   34 GLU  HN           34 GLU  HG-         3.50    (#   2972:25  Unique         2.05, 3.21 A)
 &rst
  ixpk= 2972, nxpk= 25, iat= 528,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 535, 536,
 &end
#
#   30 PHE  HN           30 PHE  HA          4.50    (#   2973:25  Unique         2.75, 2.83 A)
 &rst
  ixpk= 2973, nxpk= 25, iat= 468, 470, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 VAL  MGY          17 VAL  MGY         4.50    (#   2974:25  Unique         2.21, 5.78 A)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   16 LEU  HA           16 LEU  HB+         3.50    (#   2975:25  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2975, nxpk= 25, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 257, 258,
 &end
#
#    7 ARG  HA            7 ARG  HB+         3.50    (#   2976:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 2976, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 114, 115,
 &end
#
#   11 GLU  HN            0 AMB  25-1:2977   4.50    (#   2977:25  Single Ambig)
 &rst
  ixpk= 2977, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 190, 191, 190, 191,
 &end
#
#   64 GLY  HN           63 VAL  HA          4.50    (#   2978:25  Unique         2.98, 3.23 A)
 &rst
  ixpk= 2978, nxpk= 25, iat=1022,1008, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 PHE  HN          120 VAL  MGX         5.50    (#   2979:25  Unique         4.31, 5.05 A)
 &rst
  ixpk= 2979, nxpk= 25, iat=1892,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#   11 GLU  HN            0 AMB  25-1:2980   4.50    (#   2980:25  Single Ambig)
 &rst
  ixpk= 2980, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 193, 194, 193, 194,
 &end
#
#  125 THR  HN          125 THR  HB          5.50    (#   2981:25  Unique         3.70, 3.78 A)
 &rst
  ixpk= 2981, nxpk= 25, iat=1950,1954, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2982   125 THR  HB          4.50    (#   2982:25  Single Ambig)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,1954, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1919,1920,2233,2234,2235,
 &end
#
#    0 AMB  25-2:2983    37 THR  HB          5.50    (#   2983:25  Single Ambig)
 &rst
  ixpk= 2983, nxpk= 25, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 568, 569, 532, 533,
 &end
#
#  105 ASN  HN          104 THR  HB          5.50    (#   2984:25  Unique         3.57, 3.64 A)
 &rst
  ixpk= 2984, nxpk= 25, iat=1629,1619, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 THR  HN          104 THR  HB          5.50    (#   2985:25  Unique         3.10, 3.17 A)
 &rst
  ixpk= 2985, nxpk= 25, iat=1615,1619, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 THR  HA          104 THR  HB          2.80    (#   2986:25  Unique         2.42, 2.47 A)
 &rst
  ixpk= 2986, nxpk= 25, iat=1617,1619, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  142 LEU  MDY         114 VAL  HA          5.50    (#   2988:25  Unique         3.51, 4.89 A)
 &rst
  ixpk= 2988, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#   93 GLU  HN           92 VAL  HA          5.50    (#   2989:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 2989, nxpk= 25, iat=1454,1440, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2990    92 VAL  HA          5.50    (#   2990:25  Single Ambig)
 &rst
  ixpk= 2990, nxpk= 25, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1421,1381,1498,
 &end
#
#    0 AMB  25-2:2991    92 VAL  HA          4.50    (#   2991:25  Single Ambig)
 &rst
  ixpk= 2991, nxpk= 25, iat=  -1,1440, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1428,1429,1430,1432,1433,1434,1875,1876,1877,1879,
      1880,1881,1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:2995    37 THR  HA          5.50    (#   2995:25  Single Ambig)
 &rst
  ixpk= 2995, nxpk= 25, iat=  -1, 590, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 571, 572, 571, 572,
 &end
#
#   46 PHE  HD           43 VAL  HA          5.50    (#   2996:25  Unique         4.51, 5.47 A)
 &rst
  ixpk= 2996, nxpk= 25, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 741, 749,
 &end
#
#    0 AMB  25-2:2997    43 VAL  HA          5.50    (#   2997:25  Single Ambig)
 &rst
  ixpk= 2997, nxpk= 25, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 &end
#
#    0 AMB  25-2:2999    43 VAL  HA          5.50    (#   2999:25  Single Ambig)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1, 684, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 700, 755,
 &end
#
#   94 HIS  HN           90 VAL  HA          5.50    (#   3000:25  Unique         4.59, 4.65 A)
 &rst
  ixpk= 3000, nxpk= 25, iat=1469,1405, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ARG  HN           19 ILE  HA          5.50    (#   3001:25  Unique         3.24, 3.32 A)
 &rst
  ixpk= 3001, nxpk= 25, iat= 352, 300, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   87 VAL  MGY          87 VAL  HA          2.80    (#   3002:25  Unique         2.41, 3.11 A)
 &rst
  ixpk= 3002, nxpk= 25, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  25-2:3003    87 VAL  HA          2.80    (#   3003:25  Single Ambig)
 &rst
  ixpk= 3003, nxpk= 25, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1409,1410,1411,1413,1414,1415,1362,1363,1364,1366,
      1367,1368,
 &end
#
#   48 PRO  HD-          48 PRO  HA          5.50    (#   3004:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 3004, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 773, 774,
 &end
#
#  139 LEU  HN          128 SER  HB-         5.50    (#   3005:25  Unique         1.95, 2.47 A)
 &rst
  ixpk= 3005, nxpk= 25, iat=2158,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1999,2000,
 &end
#
#  139 LEU  HN          128 SER  HB+         5.50    (#   3006:25  Unique         1.95, 2.47 A)
 &rst
  ixpk= 3006, nxpk= 25, iat=2158,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1999,2000,
 &end
#
#  139 LEU  HB-         128 SER  HB+         5.50    (#   3007:25  Unique         3.70, 4.68 A)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2162,2163,
 igr2=1999,2000,
 &end
#
#    0 AMB  25-2:3008     0 AMB  25-1:3008   5.50    (#   3008:25  Double Ambig)
 &rst
  ixpk= 3008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1999,2000,1999,2000,
 &end
#
#    0 AMB  25-2:3009     0 AMB  25-1:3009   5.50    (#   3009:25  Double Ambig)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
 igr1=2027,2028,2029,2031,2032,2033,2167,2168,2169,2171,
      2172,2173,2167,2168,2169,2171,2172,2173,
 igr2=1999,2000,1999,2000,1999,2000,
 &end
#
#    0 AMB  25-2:3010   128 SER  HB-         4.50    (#   3010:25  Single Ambig)
 &rst
  ixpk= 3010, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 igr2=1999,2000,
 &end
#
#    0 AMB  25-2:3011    80 PRO  HA          3.50    (#   3011:25  Single Ambig)
 &rst
  ixpk= 3011, nxpk= 25, iat=  -1,1275, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1269,1270,1269,1270,
 &end
#
#   35 TYR  HN           32 SER  HB+         4.50    (#   3012:25  Unique         2.36, 3.42 A)
 &rst
  ixpk= 3012, nxpk= 25, iat= 543,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 511, 512,
 &end
#
#   33 ALA  MB           32 SER  HB+         4.50    (#   3013:25  Unique         3.90, 5.73 A)
 &rst
  ixpk= 3013, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 522, 523, 524,
 igr2= 511, 512,
 &end
#
#   34 GLU  HB+          32 SER  HB+         4.50    (#   3014:25  Unique         2.80, 4.63 A)
 &rst
  ixpk= 3014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 532, 533,
 igr2= 511, 512,
 &end
#
#   99 ALA  HN          100 PRO  HA          5.50    (#   3017:25  Unique         4.43, 4.46 A)
 &rst
  ixpk= 3017, nxpk= 25, iat=1543,1563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 VAL  MGY         136 PRO  HA          3.50    (#   3020:25  Unique         2.91, 5.13 A)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,2119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  136 PRO  HD-         136 PRO  HA          4.50    (#   3023:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,2119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2110,2111,
 &end
#
#  130 VAL  HA          136 PRO  HA          4.50    (#   3024:25  Unique         3.22, 3.32 A)
 &rst
  ixpk= 3024, nxpk= 25, iat=2023,2119, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 VAL  HN           21 CYS  HA          5.50    (#   3028:25  Unique         3.39, 3.60 A)
 &rst
  ixpk= 3028, nxpk= 25, iat= 387, 343, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 PHE  HE           20 TRP  HA          5.50    (#   3029:25  Unique         3.29, 5.11 A)
 &rst
  ixpk= 3029, nxpk= 25, iat=  -1, 319, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1039,1043,
 &end
#
#   23 SER  HB-          20 TRP  HA          3.50    (#   3030:25  Unique         2.30, 3.44 A)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1, 319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 380, 381,
 &end
#
#   23 SER  HB+          20 TRP  HA          3.50    (#   3031:25  Unique         2.30, 3.44 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1, 319, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 380, 381,
 &end
#
#   20 TRP  HB-          20 TRP  HA          2.80    (#   3032:25  Unique         2.34, 2.68 A)
 &rst
  ixpk= 3032, nxpk= 25, iat=  -1, 319, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 321, 322,
 &end
#
#    0 AMB  25-2:3033    69 SER  HB-         5.50    (#   3033:25  Single Ambig)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1087,1141,
 igr2=1108,1109,
 &end
#
#   24 VAL  MGX          21 CYS  HA          4.50    (#   3034:25  Unique         2.20, 4.81 A)
 &rst
  ixpk= 3034, nxpk= 25, iat=  -1, 343, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 393, 394, 395, 397, 398, 399,
 &end
#
#  143 ALA  HN          124 VAL  HA          4.50    (#   3035:25  Unique         3.85, 3.98 A)
 &rst
  ixpk= 3035, nxpk= 25, iat=2229,1936, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 LYS  HA          124 VAL  HA          5.50    (#   3036:25  Unique         4.36, 4.37 A)
 &rst
  ixpk= 3036, nxpk= 25, iat=1914,1936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 LEU  MDX          69 SER  HB+         4.50    (#   3037:25  Unique         5.54, 7.23 A)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1108,1109,
 &end
#
#    0 AMB  25-2:3038     0 AMB  25-1:3038   4.50    (#   3038:25  Double Ambig)
 &rst
  ixpk= 3038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
 igr1=  47,  48,1075,1076,1077,1079,1080,1081,1075,1076,
      1077,1079,1080,1081,
 igr2=  23,1108,1109,1108,1109,
 &end
#
#   94 HIS  HA            0 AMB  25-1:3039   2.80    (#   3039:25  Single Ambig)
 &rst
  ixpk= 3039, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1519,1520,1519,1520,
 &end
#
#  144 TYR  HA          145 VAL  HA          5.50    (#   3042:25  Unique         4.39, 4.40 A)
 &rst
  ixpk= 3042, nxpk= 25, iat=2241,2262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 LEU  HG           51 PRO  HA          4.50    (#   3046:25  Unique         4.27, 4.30 A)
 &rst
  ixpk= 3046, nxpk= 25, iat= 832, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 GLY  HA+         125 THR  HA          4.50    (#   3047:25  Unique         4.42, 4.81 A)
 &rst
  ixpk= 3047, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1966,1967,
 &end
#
#    0 AMB  25-2:3049   125 THR  HA          5.50    (#   3049:25  Single Ambig)
 &rst
  ixpk= 3049, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1919,1920,2233,2234,2235,
 &end
#
#  122 PHE  HB+         117 TYR  HA          4.50    (#   3050:25  Unique         3.75, 4.52 A)
 &rst
  ixpk= 3050, nxpk= 25, iat=  -1,1806, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1896,1897,
 &end
#
#    0 AMB  25-2:3052   116 PHE  HA          5.50    (#   3052:25  Single Ambig)
 &rst
  ixpk= 3052, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#   99 ALA  HN           97 SER  HA          5.50    (#   3053:25  Unique         4.03, 4.07 A)
 &rst
  ixpk= 3053, nxpk= 25, iat=1543,1517, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3054    97 SER  HA          4.50    (#   3054:25  Single Ambig)
 &rst
  ixpk= 3054, nxpk= 25, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1528,1563,
 &end
#
#    0 AMB  25-2:3055    97 SER  HA          5.50    (#   3055:25  Single Ambig)
 &rst
  ixpk= 3055, nxpk= 25, iat=  -1,1517, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#  122 PHE  HD          144 TYR  HA          5.50    (#   3056:25  Unique         3.36, 4.35 A)
 &rst
  ixpk= 3056, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1900,1908,
 &end
#
#  144 TYR  HD          144 TYR  HA          5.50    (#   3057:25  Unique         2.40, 3.42 A)
 &rst
  ixpk= 3057, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2247,2256,
 &end
#
#  122 PHE  HB-         144 TYR  HA          4.50    (#   3058:25  Unique         4.54, 4.83 A)
 &rst
  ixpk= 3058, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1896,1897,
 &end
#
#    0 AMB  25-2:3059   144 TYR  HA          4.50    (#   3059:25  Single Ambig)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2233,2234,2235,1607,1608,1609,
 &end
#
#    0 AMB  25-2:3061    45 SER  HA          5.50    (#   3061:25  Single Ambig)
 &rst
  ixpk= 3061, nxpk= 25, iat=  -1, 724, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 705, 706, 705, 706,
 &end
#
#   93 GLU  HN           89 ARG  HA          5.50    (#   3062:25  Unique         4.11, 4.22 A)
 &rst
  ixpk= 3062, nxpk= 25, iat=1454,1381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3065   118 LYS  HA          5.50    (#   3065:25  Single Ambig)
 &rst
  ixpk= 3065, nxpk= 25, iat=  -1,1827, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1885,1900,1908,
 &end
#
#   36 ARG  HN           34 GLU  HA          4.50    (#   3066:25  Unique         3.75, 4.01 A)
 &rst
  ixpk= 3066, nxpk= 25, iat= 564, 530, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 TYR  HA            0 AMB  25-1:3067   5.50    (#   3067:25  Single Ambig)
 &rst
  ixpk= 3067, nxpk= 25, iat= 545,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 530, 604,
 &end
#
#  113 ALA  HN          111 GLU  HA          5.50    (#   3068:25  Unique         4.48, 4.88 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=1751,1721, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3069    44 ARG  HA          4.50    (#   3069:25  Single Ambig)
 &rst
  ixpk= 3069, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 708, 709, 708, 709,
 &end
#
#  122 PHE  HE          103 THR  HA          5.50    (#   3070:25  Unique         2.55, 4.98 A)
 &rst
  ixpk= 3070, nxpk= 25, iat=  -1,1603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1902,1906,
 &end
#
#  102 LEU  HG          103 THR  HA          5.50    (#   3071:25  Unique         3.67, 3.78 A)
 &rst
  ixpk= 3071, nxpk= 25, iat=1589,1603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 THR  MG2         103 THR  HA          5.50    (#   3072:25  Unique         3.63, 4.85 A)
 &rst
  ixpk= 3072, nxpk= 25, iat=  -1,1603, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1621,1622,1623,
 &end
#
#    0 AMB  25-2:3073    54 VAL  HA          3.50    (#   3073:25  Single Ambig)
 &rst
  ixpk= 3073, nxpk= 25, iat=  -1, 870, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1033,1034, 848, 849,
 &end
#
#    0 AMB  25-2:3074    54 VAL  HA          3.50    (#   3074:25  Single Ambig)
 &rst
  ixpk= 3074, nxpk= 25, iat=  -1, 870, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#    0 AMB  25-2:3075     0 AMB  25-1:3075   3.50    (#   3075:25  Double Ambig)
 &rst
  ixpk= 3075, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 387, 253,
 igr2= 354, 225,
 &end
#
#    0 AMB  25-2:3077    15 GLU  HA          4.50    (#   3077:25  Single Ambig)
 &rst
  ixpk= 3077, nxpk= 25, iat=  -1, 240, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 996, 997, 260,
 &end
#
#   44 ARG  HN           40 GLU  HA          5.50    (#   3078:25  Unique         3.94, 4.05 A)
 &rst
  ixpk= 3078, nxpk= 25, iat= 698, 638, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 LEU  HN           46 PHE  HA          5.50    (#   3079:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 3079, nxpk= 25, iat= 753, 735, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 GLU  HN           46 PHE  HA          3.50    (#   3081:25  Unique         3.52, 3.55 A)
 &rst
  ixpk= 3081, nxpk= 25, iat= 786, 735, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3082   119 LYS  HA          2.80    (#   3082:25  Single Ambig)
 &rst
  ixpk= 3082, nxpk= 25, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1851,1852,1851,1852,
 &end
#
#   39 LEU  HN           36 ARG  HA          5.50    (#   3083:25  Unique         3.89, 4.21 A)
 &rst
  ixpk= 3083, nxpk= 25, iat= 617, 566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   39 LEU  HB-          36 ARG  HA          5.50    (#   3085:25  Unique         2.77, 4.05 A)
 &rst
  ixpk= 3085, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 621, 622,
 &end
#
#    0 AMB  25-2:3086    36 ARG  HA          2.80    (#   3086:25  Single Ambig)
 &rst
  ixpk= 3086, nxpk= 25, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 571, 572, 571, 572,
 &end
#
#   58 GLU  HG+          58 GLU  HA          2.80    (#   3087:25  Unique         2.24, 2.76 A)
 &rst
  ixpk= 3087, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 931, 932,
 &end
#
#  115 GLY  HN          112 GLN  HA          3.50    (#   3088:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 3088, nxpk= 25, iat=1777,1736, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASN  HA          108 GLU  HA          5.50    (#   3089:25  Unique         4.32, 4.34 A)
 &rst
  ixpk= 3089, nxpk= 25, iat=1661,1675, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 GLN  HG-         112 GLN  HA          2.80    (#   3090:25  Unique         2.14, 2.80 A)
 &rst
  ixpk= 3090, nxpk= 25, iat=  -1,1736, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1741,1742,
 &end
#
#  119 LYS  HG+         119 LYS  HA          2.80    (#   3091:25  Unique         2.04, 2.96 A)
 &rst
  ixpk= 3091, nxpk= 25, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1854,1855,
 &end
#
#  119 LYS  HD-         119 LYS  HA          3.50    (#   3092:25  Unique         1.99, 3.26 A)
 &rst
  ixpk= 3092, nxpk= 25, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1858,
 &end
#
#    0 AMB  25-2:3093     5 ILE  HA          3.50    (#   3093:25  Single Ambig)
 &rst
  ixpk= 3093, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  71,  93,  94,
 &end
#
#   91 LEU  HG           91 LEU  HA          2.80    (#   3094:25  Unique         2.71, 2.78 A)
 &rst
  ixpk= 3094, nxpk= 25, iat=1426,1421, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 LEU  HB-          91 LEU  HA          3.50    (#   3095:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 3095, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#   91 LEU  HB+          91 LEU  HA          2.80    (#   3096:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 3096, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1423,1424,
 &end
#
#   91 LEU  MDY          91 LEU  HA          4.50    (#   3097:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 3097, nxpk= 25, iat=  -1,1421, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#  129 GLU  HG+         129 GLU  HA          2.80    (#   3100:25  Unique         2.41, 3.01 A)
 &rst
  ixpk= 3100, nxpk= 25, iat=  -1,2008, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2013,2014,
 &end
#
#    0 AMB  25-2:3101     8 SER  HA          4.50    (#   3101:25  Single Ambig)
 &rst
  ixpk= 3101, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 152, 153, 152, 153,
 &end
#
#   54 VAL  MGX           8 SER  HA          2.80    (#   3102:25  Unique         2.31, 3.72 A)
 &rst
  ixpk= 3102, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:3103     8 SER  HA          3.50    (#   3103:25  Single Ambig)
 &rst
  ixpk= 3103, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#    0 AMB  25-2:3104    56 VAL  HA          5.50    (#   3104:25  Single Ambig)
 &rst
  ixpk= 3104, nxpk= 25, iat=  -1, 896, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 975, 987, 988,
 &end
#
#   60 ASP  HA           56 VAL  HA          4.50    (#   3106:25  Unique         4.55, 4.58 A)
 &rst
  ixpk= 3106, nxpk= 25, iat= 965, 896, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3107    56 VAL  HA          4.50    (#   3107:25  Single Ambig)
 &rst
  ixpk= 3107, nxpk= 25, iat=  -1, 896, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 999,1000, 979, 980, 979, 980,
 &end
#
#    0 AMB  25-2:3108    32 SER  HA          4.50    (#   3108:25  Single Ambig)
 &rst
  ixpk= 3108, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 543, 577,
 &end
#
#    0 AMB  25-2:3110    32 SER  HA          4.50    (#   3110:25  Single Ambig)
 &rst
  ixpk= 3110, nxpk= 25, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 520, 490,
 &end
#
#  129 GLU  HB+         129 GLU  HA          2.80    (#   3111:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 3111, nxpk= 25, iat=  -1,2008, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2010,2011,
 &end
#
#   45 SER  HN           41 ASP  HA          4.50    (#   3112:25  Unique         4.66, 4.72 A)
 &rst
  ixpk= 3112, nxpk= 25, iat= 722, 653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 GLU  HN           39 LEU  HA          5.50    (#   3115:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 3115, nxpk= 25, iat= 636, 619, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 TYR  HD           35 TYR  HA          3.50    (#   3116:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 3116, nxpk= 25, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 551, 560,
 &end
#
#   38 GLU  HN           35 TYR  HA          4.50    (#   3117:25  Unique         3.38, 3.68 A)
 &rst
  ixpk= 3117, nxpk= 25, iat= 602, 545, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 VAL  MGX          25 ASP  HA          4.50    (#   3121:25  Unique         3.28, 5.32 A)
 &rst
  ixpk= 3121, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 393, 394, 395, 397, 398, 399,
 &end
#
#   98 MET  HN           96 LEU  HA          4.50    (#   3122:25  Unique         4.28, 4.40 A)
 &rst
  ixpk= 3122, nxpk= 25, iat=1526,1498, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 PRO  HA           96 LEU  HA          3.50    (#   3123:25  Unique         3.55, 3.57 A)
 &rst
  ixpk= 3123, nxpk= 25, iat=1563,1498, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 VAL  MGX          81 ASP  HA          4.50    (#   3125:25  Unique         4.85, 6.03 A)
 &rst
  ixpk= 3125, nxpk= 25, iat=  -1,1281, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   98 MET  HG-          98 MET  HA          2.80    (#   3126:25  Unique         2.73, 2.98 A)
 &rst
  ixpk= 3126, nxpk= 25, iat=  -1,1528, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1533,1534,
 &end
#
#   21 CYS  HA           18 ALA  HA          5.50    (#   3127:25  Unique         5.47, 5.52 A)
 &rst
  ixpk= 3127, nxpk= 25, iat= 343, 290, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 MET  HG-          95 ALA  HA          3.50    (#   3128:25  Unique         3.54, 4.39 A)
 &rst
  ixpk= 3128, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1533,1534,
 &end
#
#   71 GLN  HB+          71 GLN  HA          2.80    (#   3129:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 3129, nxpk= 25, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1126,1127,
 &end
#
#    0 AMB  25-2:3130     0 AMB  25-1:3130   3.50    (#   3130:25  Double Ambig)
 &rst
  ixpk= 3130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 874, 875, 876, 878, 879, 880,1591,1592,1593,1595,
      1596,1597,
 igr2= 112,1124,
 &end
#
#    0 AMB  25-2:3131    33 ALA  HA          4.50    (#   3131:25  Single Ambig)
 &rst
  ixpk= 3131, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 577, 543, 588,
 &end
#
#   31 LEU  MDY          31 LEU  HA          4.50    (#   3133:25  Unique         2.16, 3.98 A)
 &rst
  ixpk= 3133, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#    2 VAL  MGX           1 MET  HA          5.50    (#   3134:25  Unique         3.63, 5.69 A)
 &rst
  ixpk= 3134, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#    0 AMB  25-2:3135    30 PHE  HA          4.50    (#   3135:25  Single Ambig)
 &rst
  ixpk= 3135, nxpk= 25, iat=  -1, 470, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1700,1701,2133,2138,
 &end
#
#   72 HIS  HB-          71 GLN  HA          5.50    (#   3137:25  Unique         4.96, 5.27 A)
 &rst
  ixpk= 3137, nxpk= 25, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1143,1144,
 &end
#
#    0 AMB  25-2:3140    31 LEU  HA          4.50    (#   3140:25  Single Ambig)
 &rst
  ixpk= 3140, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1700,1701,2133,2138,
 &end
#
#    0 AMB  25-2:3141    31 LEU  HA          4.50    (#   3141:25  Single Ambig)
 &rst
  ixpk= 3141, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 476, 484, 551, 560,
 &end
#
#   31 LEU  HG           31 LEU  HA          4.50    (#   3142:25  Unique         2.21, 2.39 A)
 &rst
  ixpk= 3142, nxpk= 25, iat= 495, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ARG  HB-         127 ARG  HA          2.80    (#   3145:25  Unique         2.27, 2.51 A)
 &rst
  ixpk= 3145, nxpk= 25, iat=  -1,1973, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1975,1976,
 &end
#
#  102 LEU  MDX          72 HIS  HA          3.50    (#   3146:25  Unique         3.17, 5.55 A)
 &rst
  ixpk= 3146, nxpk= 25, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#   53 TRP  HE3           6 ARG  HA          2.80    (#   3148:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 3148, nxpk= 25, iat= 863,  88, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  137 TYR  HD          137 TYR  HA          3.50    (#   3149:25  Unique         2.08, 3.28 A)
 &rst
  ixpk= 3149, nxpk= 25, iat=  -1,2125, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2131,2140,
 &end
#
#    5 ILE  MG2           6 ARG  HA          4.50    (#   3150:25  Unique         3.63, 4.66 A)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  73,  74,  75,
 &end
#
#    0 AMB  25-2:3152     6 ARG  HA          4.50    (#   3152:25  Single Ambig)
 &rst
  ixpk= 3152, nxpk= 25, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 117, 118,  93,  94,  71,
 &end
#
#    6 ARG  HG-           6 ARG  HA          5.50    (#   3153:25  Unique         3.56, 3.77 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  93,  94,
 &end
#
#   73 MET  HA           68 LEU  HA          3.50    (#   3154:25  Unique         2.24, 2.58 A)
 &rst
  ixpk= 3154, nxpk= 25, iat=1158,1087, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 TYR  HE          113 ALA  HA          5.50    (#   3155:25  Unique         3.16, 5.02 A)
 &rst
  ixpk= 3155, nxpk= 25, iat=  -1,1753, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1814,1819,
 &end
#
#    0 AMB  25-2:3156    66 MET  HA          5.50    (#   3156:25  Single Ambig)
 &rst
  ixpk= 3156, nxpk= 25, iat=  -1,1051, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1037,1045,1039,1043,
 &end
#
#   76 LEU  HA           66 MET  HA          2.80    (#   3157:25  Unique         2.71, 2.80 A)
 &rst
  ixpk= 3157, nxpk= 25, iat=1197,1051, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 LEU  HB+          68 LEU  HA          2.80    (#   3158:25  Unique         2.35, 2.70 A)
 &rst
  ixpk= 3158, nxpk= 25, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1089,1090,
 &end
#
#   68 LEU  MDY          68 LEU  HA          2.80    (#   3159:25  Unique         2.43, 4.11 A)
 &rst
  ixpk= 3159, nxpk= 25, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  133 LEU  HB-         133 LEU  HA          2.80    (#   3160:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 3160, nxpk= 25, iat=  -1,2063, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2065,2066,
 &end
#
#    0 AMB  25-2:3161   101 GLU  HA          3.50    (#   3161:25  Single Ambig)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1,1569, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1560,1561,1557,1558,1586,1587,
 &end
#
#  133 LEU  HG          133 LEU  HA          3.50    (#   3162:25  Unique         2.80, 2.94 A)
 &rst
  ixpk= 3162, nxpk= 25, iat=2068,2063, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLU  HB-         101 GLU  HA          2.80    (#   3163:25  Unique         2.32, 2.68 A)
 &rst
  ixpk= 3163, nxpk= 25, iat=  -1,1569, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1571,1572,
 &end
#
#   52 LEU  MDX          67 LEU  HA          3.50    (#   3164:25  Unique         3.39, 4.99 A)
 &rst
  ixpk= 3164, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   67 LEU  HB-          67 LEU  HA          2.80    (#   3165:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   67 LEU  HB+          67 LEU  HA          2.80    (#   3166:25  Unique         2.39, 2.75 A)
 &rst
  ixpk= 3166, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   27 THR  HN           26 ALA  HA          4.50    (#   3167:25  Unique         3.53, 3.56 A)
 &rst
  ixpk= 3167, nxpk= 25, iat= 425, 417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3170   135 LYS  HA          4.50    (#   3170:25  Single Ambig)
 &rst
  ixpk= 3170, nxpk= 25, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2094,2095,2094,2095,
 &end
#
#  143 ALA  MB          142 LEU  HA          4.50    (#   3171:25  Unique         4.19, 4.88 A)
 &rst
  ixpk= 3171, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2233,2234,2235,
 &end
#
#    0 AMB  25-2:3174   140 LEU  HA          3.50    (#   3174:25  Single Ambig)
 &rst
  ixpk= 3174, nxpk= 25, iat=  -1,2179, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2177,1995,
 &end
#
#  139 LEU  HN          139 LEU  HA          3.50    (#   3175:25  Unique         2.93, 2.94 A)
 &rst
  ixpk= 3175, nxpk= 25, iat=2158,2160, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ARG  HA          140 LEU  HA          4.50    (#   3178:25  Unique         2.11, 2.21 A)
 &rst
  ixpk= 3178, nxpk= 25, iat=1973,2179, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  140 LEU  HB+         140 LEU  HA          3.50    (#   3180:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 3180, nxpk= 25, iat=  -1,2179, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2181,2182,
 &end
#
#    0 AMB  25-2:3181   140 LEU  HA          3.50    (#   3181:25  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,2179, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2181,2182,1978,1979,
 &end
#
#  142 LEU  HA          141 ASN  HA          5.50    (#   3182:25  Unique         4.39, 4.41 A)
 &rst
  ixpk= 3182, nxpk= 25, iat=2212,2198, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ASN  HB-         141 ASN  HA          5.50    (#   3183:25  Unique         3.35, 4.28 A)
 &rst
  ixpk= 3183, nxpk= 25, iat=  -1,2198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1633,1634,
 &end
#
#   62 PRO  HD+          61 GLN  HA          2.80    (#   3184:25  Unique         2.08, 2.19 A)
 &rst
  ixpk= 3184, nxpk= 25, iat=  -1, 977, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 993, 994,
 &end
#
#  131 ASP  HB-         131 ASP  HA          3.50    (#   3185:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 3185, nxpk= 25, iat=  -1,2039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2041,2042,
 &end
#
#   62 PRO  HD-          61 GLN  HA          3.50    (#   3186:25  Unique         2.08, 2.19 A)
 &rst
  ixpk= 3186, nxpk= 25, iat=  -1, 977, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 993, 994,
 &end
#
#    0 AMB  25-2:3187    61 GLN  HA          4.50    (#   3187:25  Single Ambig)
 &rst
  ixpk= 3187, nxpk= 25, iat=  -1, 977, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 982, 983, 982, 983,
 &end
#
#  104 THR  MG2         105 ASN  HA          5.50    (#   3188:25  Unique         3.61, 4.78 A)
 &rst
  ixpk= 3188, nxpk= 25, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1621,1622,1623,
 &end
#
#  122 PHE  HE          143 ALA  HA          5.50    (#   3189:25  Unique         3.32, 5.43 A)
 &rst
  ixpk= 3189, nxpk= 25, iat=  -1,2231, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1902,1906,
 &end
#
#  122 PHE  HD          143 ALA  HA          5.50    (#   3191:25  Unique         2.85, 5.00 A)
 &rst
  ixpk= 3191, nxpk= 25, iat=  -1,2231, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1900,1908,
 &end
#
#  125 THR  MG2         143 ALA  HA          5.50    (#   3192:25  Unique         4.91, 5.97 A)
 &rst
  ixpk= 3192, nxpk= 25, iat=  -1,2231, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1956,1957,1958,
 &end
#
#   56 VAL  HA           62 PRO  HD-         5.50    (#   3193:25  Unique         5.04, 5.36 A)
 &rst
  ixpk= 3193, nxpk= 25, iat= 896,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 993, 994,
 &end
#
#    0 AMB  25-2:3194    62 PRO  HD-         4.50    (#   3194:25  Single Ambig)
 &rst
  ixpk= 3194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 982, 983, 982, 983,
 igr2= 993, 994,
 &end
#
#   56 VAL  MGY          62 PRO  HD+         4.50    (#   3195:25  Unique         3.29, 5.88 A)
 &rst
  ixpk= 3195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 900, 901, 902, 904, 905, 906,
 igr2= 993, 994,
 &end
#
#    0 AMB  25-2:3196    48 PRO  HD-         4.50    (#   3196:25  Single Ambig)
 &rst
  ixpk= 3196, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 700, 755,
 igr2= 773, 774,
 &end
#
#   48 PRO  HA           48 PRO  HD+         5.50    (#   3197:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 3197, nxpk= 25, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 773, 774,
 &end
#
#    4 SER  HN           57 ASN  HA          5.50    (#   3199:25  Unique         3.42, 3.65 A)
 &rst
  ixpk= 3199, nxpk= 25, iat=  56, 912, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ASN  HD2+         57 ASN  HA          4.50    (#   3200:25  Unique         3.54, 4.50 A)
 &rst
  ixpk= 3200, nxpk= 25, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 919, 920,
 &end
#
#    0 AMB  25-2:3201    57 ASN  HA          4.50    (#   3201:25  Single Ambig)
 &rst
  ixpk= 3201, nxpk= 25, iat=  -1, 912, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=  27,  28,  29,  31,  32,  33,1012,1013,1014,1016,
      1017,1018,1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  25-2:3204   138 PRO  HD-         5.50    (#   3204:25  Single Ambig)
 &rst
  ixpk= 3204, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2127,2128,2127,2128,
 igr2=2145,2146,
 &end
#
#    0 AMB  25-2:3205     0 AMB  25-1:3205   2.80    (#   3205:25  Double Ambig)
 &rst
  ixpk= 3205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2148,2149,1269,1270,1269,1270,
 igr2=2145,2146,1266,1267,
 &end
#
#  138 PRO  HG-         138 PRO  HD-         2.80    (#   3206:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 3206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2148,2149,
 igr2=2145,2146,
 &end
#
#    0 AMB  25-2:3207     0 AMB  25-1:3207   3.50    (#   3207:25  Double Ambig)
 &rst
  ixpk= 3207, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 356, 357,2151,2152,
 igr2=1266,1267,2145,2146,
 &end
#
#  138 PRO  HB-         138 PRO  HD-         3.50    (#   3208:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3208, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2151,2152,
 igr2=2145,2146,
 &end
#
#   52 LEU  HN           50 ALA  HA          5.50    (#   3211:25  Unique         4.62, 4.67 A)
 &rst
  ixpk= 3211, nxpk= 25, iat= 825, 803, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3215    50 ALA  HA          5.50    (#   3215:25  Single Ambig)
 &rst
  ixpk= 3215, nxpk= 25, iat=  -1, 803, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 821, 735,
 &end
#
#  110 ASN  HB-         110 ASN  HA          2.80    (#   3216:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 3216, nxpk= 25, iat=  -1,1707, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1709,1710,
 &end
#
#   50 ALA  HN           51 PRO  HD-         5.50    (#   3217:25  Unique         4.64, 4.74 A)
 &rst
  ixpk= 3217, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 812, 813,
 &end
#
#   51 PRO  HB-          51 PRO  HD+         3.50    (#   3219:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3219, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 818, 819,
 igr2= 812, 813,
 &end
#
#   51 PRO  HB-          51 PRO  HD-         3.50    (#   3220:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3220, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 818, 819,
 igr2= 812, 813,
 &end
#
#  136 PRO  HB+         136 PRO  HD-         5.50    (#   3221:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2116,2117,
 igr2=2110,2111,
 &end
#
#  135 LYS  HB+         136 PRO  HD-         4.50    (#   3222:25  Unique         2.04, 3.38 A)
 &rst
  ixpk= 3222, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2091,2092,
 igr2=2110,2111,
 &end
#
#  135 LYS  HD-         136 PRO  HD-         5.50    (#   3223:25  Unique         3.89, 6.05 A)
 &rst
  ixpk= 3223, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2097,2098,
 igr2=2110,2111,
 &end
#
#  135 LYS  HB-         136 PRO  HD+         3.50    (#   3224:25  Unique         2.04, 3.38 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2091,2092,
 igr2=2110,2111,
 &end
#
#  136 PRO  HG+         136 PRO  HD-         4.50    (#   3225:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 3225, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2113,2114,
 igr2=2110,2111,
 &end
#
#  136 PRO  HG+         136 PRO  HD+         4.50    (#   3226:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2113,2114,
 igr2=2110,2111,
 &end
#
#    5 ILE  MG2          55 ALA  HA          5.50    (#   3227:25  Unique         2.98, 4.34 A)
 &rst
  ixpk= 3227, nxpk= 25, iat=  -1, 886, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  73,  74,  75,
 &end
#
#    5 ILE  HG1-         55 ALA  HA          4.50    (#   3228:25  Unique         4.25, 4.52 A)
 &rst
  ixpk= 3228, nxpk= 25, iat=  -1, 886, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  77,  78,
 &end
#
#    0 AMB  25-2:3230   100 PRO  HD-         3.50    (#   3230:25  Single Ambig)
 &rst
  ixpk= 3230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1129,1130,1574,1575,1571,1572,
 igr2=1554,1555,
 &end
#
#   12 GLU  HN           13 GLY  HA-         5.50    (#   3231:25  Unique         4.77, 4.86 A)
 &rst
  ixpk= 3231, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 218, 219,
 &end
#
#   16 LEU  HN           13 GLY  HA-         4.50    (#   3232:25  Unique         3.27, 3.90 A)
 &rst
  ixpk= 3232, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 218, 219,
 &end
#
#   15 GLU  HN           13 GLY  HA-         4.50    (#   3233:25  Unique         4.29, 4.65 A)
 &rst
  ixpk= 3233, nxpk= 25, iat= 238,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 218, 219,
 &end
#
#   72 HIS  HN           70 GLY  HA-         4.50    (#   3235:25  Unique         3.89, 4.71 A)
 &rst
  ixpk= 3235, nxpk= 25, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1117,1118,
 &end
#
#   72 HIS  HN           70 GLY  HA+         4.50    (#   3236:25  Unique         3.89, 4.71 A)
 &rst
  ixpk= 3236, nxpk= 25, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1117,1118,
 &end
#
#   71 GLN  HA           70 GLY  HA-         5.50    (#   3237:25  Unique         4.44, 4.64 A)
 &rst
  ixpk= 3237, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1117,1118,
 &end
#
#   71 GLN  HA           70 GLY  HA+         5.50    (#   3238:25  Unique         4.44, 4.64 A)
 &rst
  ixpk= 3238, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1117,1118,
 &end
#
#   71 GLN  HB-          70 GLY  HA+         5.50    (#   3239:25  Unique         4.42, 5.33 A)
 &rst
  ixpk= 3239, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1126,1127,
 igr2=1117,1118,
 &end
#
#    0 AMB  25-2:3240     0 AMB  25-1:3240   5.50    (#   3240:25  Double Ambig)
 &rst
  ixpk= 3240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1825,1761,
 igr2=1779,1780,1779,1780,
 &end
#
#    0 AMB  25-2:3241   115 GLY  HA-         5.50    (#   3241:25  Single Ambig)
 &rst
  ixpk= 3241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1825,1761,
 igr2=1779,1780,
 &end
#
#  116 PHE  HA          115 GLY  HA+         4.50    (#   3243:25  Unique         4.35, 4.56 A)
 &rst
  ixpk= 3243, nxpk= 25, iat=1786,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1779,1780,
 &end
#
#  116 PHE  HA          115 GLY  HA-         4.50    (#   3244:25  Unique         4.35, 4.56 A)
 &rst
  ixpk= 3244, nxpk= 25, iat=1786,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1779,1780,
 &end
#
#  114 VAL  HB          115 GLY  HA+         4.50    (#   3245:25  Unique         4.30, 4.40 A)
 &rst
  ixpk= 3245, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1779,1780,
 &end
#
#   74 ASP  HB+          67 LEU  HB+         5.50    (#   3246:25  Unique         1.96, 3.70 A)
 &rst
  ixpk= 3246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1177,1178,
 igr2=1070,1071,
 &end
#
#    0 AMB  25-2:3249    64 GLY  HA-         2.80    (#   3249:25  Single Ambig)
 &rst
  ixpk= 3249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 304, 305, 306,1240,1241,1242,
 igr2=1024,1025,
 &end
#
#    0 AMB  25-2:3251   139 LEU  HB-         5.50    (#   3251:25  Single Ambig)
 &rst
  ixpk= 3251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1643,1668,1669,
 igr2=2162,2163,
 &end
#
#    0 AMB  25-2:3252     0 AMB  25-1:3252   5.50    (#   3252:25  Double Ambig)
 &rst
  ixpk= 3252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2039,1645,
 igr2=2162,2163,2162,2163,
 &end
#
#  105 ASN  HB-         139 LEU  HB+         5.50    (#   3253:25  Unique         3.64, 5.07 A)
 &rst
  ixpk= 3253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1633,1634,
 igr2=2162,2163,
 &end
#
#  146 GLY  HN          121 GLY  HA-         3.50    (#   3255:25  Unique         2.42, 2.88 A)
 &rst
  ixpk= 3255, nxpk= 25, iat=2276,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1887,1888,
 &end
#
#    0 AMB  25-2:3258     0 AMB  25-1:3258   5.50    (#   3258:25  Double Ambig)
 &rst
  ixpk= 3258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,2266,2267,2268,2270,2271,2272,
 igr2=1887,1888,1887,1888,1887,1888,
 &end
#
#    0 AMB  25-2:3259   121 GLY  HA-         4.50    (#   3259:25  Single Ambig)
 &rst
  ixpk= 3259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,2266,2267,2268,2270,2271,2272,2266,2267,
      2268,2270,2271,2272,
 igr2=1887,1888,
 &end
#
#  125 THR  HN          126 GLY  HA+         4.50    (#   3260:25  Unique         4.00, 4.58 A)
 &rst
  ixpk= 3260, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1966,1967,
 &end
#
#  125 THR  HN          126 GLY  HA-         4.50    (#   3261:25  Unique         4.00, 4.58 A)
 &rst
  ixpk= 3261, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1966,1967,
 &end
#
#  141 ASN  HN          126 GLY  HA-         4.50    (#   3262:25  Unique         3.48, 4.17 A)
 &rst
  ixpk= 3262, nxpk= 25, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1966,1967,
 &end
#
#  127 ARG  HN          126 GLY  HA+         2.80    (#   3263:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 3263, nxpk= 25, iat=1971,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1966,1967,
 &end
#
#  141 ASN  HB-         126 GLY  HA+         5.50    (#   3264:25  Unique         2.00, 3.92 A)
 &rst
  ixpk= 3264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2200,2201,
 igr2=1966,1967,
 &end
#
#   99 ALA  MB          102 LEU  HB+         5.50    (#   3265:25  Unique         2.00, 3.09 A)
 &rst
  ixpk= 3265, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1547,1548,1549,
 igr2=1586,1587,
 &end
#
#  122 PHE  HD          142 LEU  HB+         5.50    (#   3266:25  Unique         2.43, 4.28 A)
 &rst
  ixpk= 3266, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1900,1908,
 igr2=2214,2215,
 &end
#
#  122 PHE  HB-         142 LEU  HB-         4.50    (#   3267:25  Unique         2.15, 3.12 A)
 &rst
  ixpk= 3267, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1896,1897,
 igr2=2214,2215,
 &end
#
#  122 PHE  HB-         142 LEU  HB+         4.50    (#   3268:25  Unique         2.15, 3.12 A)
 &rst
  ixpk= 3268, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1896,1897,
 igr2=2214,2215,
 &end
#
#  142 LEU  MDX         142 LEU  HB+         5.50    (#   3269:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=2214,2215,
 &end
#
#  144 TYR  HB+         102 LEU  HB-         4.50    (#   3270:25  Unique         4.98, 5.77 A)
 &rst
  ixpk= 3270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2243,2244,
 igr2=1586,1587,
 &end
#
#  102 LEU  MDX         102 LEU  HB-         3.50    (#   3271:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 3271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1586,1587,
 &end
#
#  102 LEU  MDX         102 LEU  HB+         2.80    (#   3272:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 3272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1586,1587,
 &end
#
#  121 GLY  HA+         146 GLY  HA-         2.80    (#   3274:25  Unique         1.98, 3.00 A)
 &rst
  ixpk= 3274, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1887,1888,
 igr2=2278,2279,
 &end
#
#  121 GLY  HA+         146 GLY  HA+         3.50    (#   3275:25  Unique         1.98, 3.00 A)
 &rst
  ixpk= 3275, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1887,1888,
 igr2=2278,2279,
 &end
#
#  145 VAL  MGY         146 GLY  HA-         4.50    (#   3276:25  Unique         3.55, 6.09 A)
 &rst
  ixpk= 3276, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2266,2267,2268,2270,2271,2272,
 igr2=2278,2279,
 &end
#
#  145 VAL  HB          146 GLY  HA-         5.50    (#   3277:25  Unique         4.33, 4.89 A)
 &rst
  ixpk= 3277, nxpk= 25, iat=2264,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2278,2279,
 &end
#
#   92 VAL  MGY           0 AMB  25-1:3278   4.50    (#   3278:25  Single Ambig)
 &rst
  ixpk= 3278, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1444,1445,1446,1448,1449,1450,
 igr2=1389,1390,1389,1390,
 &end
#
#    0 AMB  25-2:3279     0 AMB  25-1:3279   2.80    (#   3279:25  Double Ambig)
 &rst
  ixpk= 3279, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
 igr1=1272,1273,1272,1273,1442,
 igr2=1317,1318,1317,1318,1389,1390,1389,1390,
 &end
#
#   59 ARG  HA           59 ARG  HD+         4.50    (#   3280:25  Unique         2.33, 3.83 A)
 &rst
  ixpk= 3280, nxpk= 25, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 949, 950,
 &end
#
#    0 AMB  25-2:3281     0 AMB  25-1:3281   3.50    (#   3281:25  Double Ambig)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1275,1871,
 igr2=1317,1318,1317,1318,1389,1390,1389,1390,
 &end
#
#   89 ARG  HA            0 AMB  25-1:3282   2.80    (#   3282:25  Single Ambig)
 &rst
  ixpk= 3282, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1389,1390,1389,1390,
 &end
#
#   32 SER  HN           31 LEU  HB-         5.50    (#   3283:25  Unique         2.16, 3.86 A)
 &rst
  ixpk= 3283, nxpk= 25, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#   31 LEU  HA           31 LEU  HB+         4.50    (#   3284:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 3284, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   31 LEU  HG           31 LEU  HB-         3.50    (#   3286:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 3286, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   31 LEU  HG           31 LEU  HB+         3.50    (#   3287:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 3287, nxpk= 25, iat= 495,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   63 VAL  HA           79 ASP  HB-         3.50    (#   3288:25  Unique         2.91, 3.84 A)
 &rst
  ixpk= 3288, nxpk= 25, iat=1008,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1257,1258,
 &end
#
#   63 VAL  HA           79 ASP  HB+         3.50    (#   3289:25  Unique         2.91, 3.84 A)
 &rst
  ixpk= 3289, nxpk= 25, iat=1008,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1257,1258,
 &end
#
#  141 ASN  HN          140 LEU  HB-         5.50    (#   3291:25  Unique         2.92, 3.36 A)
 &rst
  ixpk= 3291, nxpk= 25, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2181,2182,
 &end
#
#  142 LEU  MDX         140 LEU  HB-         4.50    (#   3292:25  Unique         2.58, 4.80 A)
 &rst
  ixpk= 3292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=2181,2182,
 &end
#
#   54 VAL  MGY          65 PHE  HB-         4.50    (#   3296:25  Unique         3.06, 5.37 A)
 &rst
  ixpk= 3296, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2=1033,1034,
 &end
#
#   73 MET  HA           74 ASP  HB-         5.50    (#   3297:25  Unique         4.19, 4.81 A)
 &rst
  ixpk= 3297, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1177,1178,
 &end
#
#    0 AMB  25-2:3298     0 AMB  25-1:3298   5.50    (#   3298:25  Double Ambig)
 &rst
  ixpk= 3298, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1187,1197,
 igr2=1177,1178,1218,1219,1218,1219,
 &end
#
#   75 ALA  MB            0 AMB  25-1:3299   5.50    (#   3299:25  Single Ambig)
 &rst
  ixpk= 3299, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1189,1190,1191,
 igr2=1177,1178,1218,1219,
 &end
#
#   67 LEU  HB-          74 ASP  HB+         4.50    (#   3300:25  Unique         1.96, 3.70 A)
 &rst
  ixpk= 3300, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1070,1071,
 igr2=1177,1178,
 &end
#
#    6 ARG  HA            0 AMB  25-1:3302   5.50    (#   3302:25  Single Ambig)
 &rst
  ixpk= 3302, nxpk= 25, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  96,  97,  96,  97,
 &end
#
#   80 PRO  HD-          22 ARG  HD-         3.50    (#   3303:25  Unique         2.00, 4.58 A)
 &rst
  ixpk= 3303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2= 362, 363,
 &end
#
#   80 PRO  HD+          22 ARG  HD-         3.50    (#   3304:25  Unique         2.00, 4.58 A)
 &rst
  ixpk= 3304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2= 362, 363,
 &end
#
#   83 ARG  HA            0 AMB  25-1:3305   3.50    (#   3305:25  Single Ambig)
 &rst
  ixpk= 3305, nxpk= 25, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1317,1318,1317,1318,
 &end
#
#    6 ARG  HG-           0 AMB  25-1:3306   2.80    (#   3306:25  Single Ambig)
 &rst
  ixpk= 3306, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=  93,  94,
 igr2=  96,  97,  96,  97,
 &end
#
#    6 ARG  HB-           0 AMB  25-1:3307   2.80    (#   3307:25  Single Ambig)
 &rst
  ixpk= 3307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=  90,  91,
 igr2=  96,  97,  96,  97,
 &end
#
#    0 AMB  25-2:3308     0 AMB  25-1:3308   4.50    (#   3308:25  Double Ambig)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 636,1195,
 igr2= 621, 622,1199,1200,
 &end
#
#   20 TRP  HZ2          39 LEU  HB+         5.50    (#   3309:25  Unique         2.00, 2.63 A)
 &rst
  ixpk= 3309, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 621, 622,
 &end
#
#   20 TRP  HZ2          39 LEU  HB-         4.50    (#   3310:25  Unique         2.00, 2.63 A)
 &rst
  ixpk= 3310, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 621, 622,
 &end
#
#   76 LEU  HN           76 LEU  HB-         4.50    (#   3311:25  Unique         2.61, 2.96 A)
 &rst
  ixpk= 3311, nxpk= 25, iat=1195,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1199,1200,
 &end
#
#   65 PHE  HE           77 PHE  HB-         4.50    (#   3313:25  Unique         2.44, 4.02 A)
 &rst
  ixpk= 3313, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1039,1043,
 igr2=1218,1219,
 &end
#
#   65 PHE  HE           77 PHE  HB+         4.50    (#   3314:25  Unique         2.44, 4.02 A)
 &rst
  ixpk= 3314, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1039,1043,
 igr2=1218,1219,
 &end
#
#   77 PHE  HA           77 PHE  HB+         2.80    (#   3315:25  Unique         2.51, 2.78 A)
 &rst
  ixpk= 3315, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1218,1219,
 &end
#
#   19 ILE  MG2          77 PHE  HB-         3.50    (#   3316:25  Unique         3.09, 4.31 A)
 &rst
  ixpk= 3316, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 304, 305, 306,
 igr2=1218,1219,
 &end
#
#   46 PHE  HD           46 PHE  HB-         4.50    (#   3317:25  Unique         2.30, 3.04 A)
 &rst
  ixpk= 3317, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 741, 749,
 igr2= 737, 738,
 &end
#
#    0 AMB  25-2:3319   123 LYS  HE-         3.50    (#   3319:25  Single Ambig)
 &rst
  ixpk= 3319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 igr2=1925,1926,
 &end
#
#   97 SER  HN           96 LEU  HB+         5.50    (#   3320:25  Unique         3.15, 3.44 A)
 &rst
  ixpk= 3320, nxpk= 25, iat=1515,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1500,1501,
 &end
#
#   97 SER  HN           96 LEU  HB-         5.50    (#   3321:25  Unique         3.15, 3.44 A)
 &rst
  ixpk= 3321, nxpk= 25, iat=1515,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1500,1501,
 &end
#
#   96 LEU  HG           96 LEU  HB+         2.80    (#   3322:25  Unique         2.46, 2.74 A)
 &rst
  ixpk= 3322, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1500,1501,
 &end
#
#  102 LEU  MDY          96 LEU  HB+         3.50    (#   3323:25  Unique         4.19, 6.22 A)
 &rst
  ixpk= 3323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1500,1501,
 &end
#
#   92 VAL  MGY          96 LEU  HB-         4.50    (#   3324:25  Unique         3.09, 6.03 A)
 &rst
  ixpk= 3324, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1444,1445,1446,1448,1449,1450,
 igr2=1500,1501,
 &end
#
#  139 LEU  HB+         105 ASN  HB-         4.50    (#   3325:25  Unique         3.64, 5.07 A)
 &rst
  ixpk= 3325, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2162,2163,
 igr2=1633,1634,
 &end
#
#  139 LEU  HG          105 ASN  HB+         3.50    (#   3326:25  Unique         2.56, 3.50 A)
 &rst
  ixpk= 3326, nxpk= 25, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1633,1634,
 &end
#
#    0 AMB  25-2:3327   118 LYS  HE-         5.50    (#   3327:25  Single Ambig)
 &rst
  ixpk= 3327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1829,1830,1829,1830,
 igr2=1838,1839,
 &end
#
#  124 VAL  MGY         118 LYS  HE-         4.50    (#   3328:25  Unique         1.99, 4.28 A)
 &rst
  ixpk= 3328, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=1838,1839,
 &end
#
#   20 TRP  HH2          36 ARG  HD+         4.50    (#   3331:25  Unique         4.55, 5.15 A)
 &rst
  ixpk= 3331, nxpk= 25, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 574, 575,
 &end
#
#   24 VAL  MGX          36 ARG  HD+         5.50    (#   3332:25  Unique         2.00, 4.68 A)
 &rst
  ixpk= 3332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 393, 394, 395, 397, 398, 399,
 igr2= 574, 575,
 &end
#
#   31 LEU  MDY          36 ARG  HD-         5.50    (#   3333:25  Unique         2.80, 5.59 A)
 &rst
  ixpk= 3333, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 574, 575,
 &end
#
#   36 ARG  HB-          36 ARG  HD-         5.50    (#   3334:25  Unique         1.99, 3.35 A)
 &rst
  ixpk= 3334, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   36 ARG  HB-          36 ARG  HD+         4.50    (#   3335:25  Unique         1.99, 3.35 A)
 &rst
  ixpk= 3335, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   36 ARG  HB+          36 ARG  HD+         3.50    (#   3336:25  Unique         1.99, 3.35 A)
 &rst
  ixpk= 3336, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#   36 ARG  HB+          36 ARG  HD-         3.50    (#   3337:25  Unique         1.99, 3.35 A)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 568, 569,
 igr2= 574, 575,
 &end
#
#    7 ARG  HN            7 ARG  HD+         5.50    (#   3338:25  Unique         4.64, 4.80 A)
 &rst
  ixpk= 3338, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 120, 121,
 &end
#
#  142 LEU  MDY         122 PHE  HB-         5.50    (#   3340:25  Unique         2.53, 4.84 A)
 &rst
  ixpk= 3340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1896,1897,
 &end
#
#    0 AMB  25-2:3341    41 ASP  HB-         3.50    (#   3341:25  Single Ambig)
 &rst
  ixpk= 3341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 667, 668, 670,
 igr2= 655, 656,
 &end
#
#  125 THR  HN          141 ASN  HB-         5.50    (#   3342:25  Unique         3.67, 4.66 A)
 &rst
  ixpk= 3342, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2200,2201,
 &end
#
#    0 AMB  25-2:3343   141 ASN  HB-         5.50    (#   3343:25  Single Ambig)
 &rst
  ixpk= 3343, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1940,1941,1942,1944,1945,1946,1956,1957,1958,
 igr2=2200,2201,
 &end
#
#  126 GLY  HA+         141 ASN  HB-         4.50    (#   3344:25  Unique         2.00, 3.92 A)
 &rst
  ixpk= 3344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1966,1967,
 igr2=2200,2201,
 &end
#
#  122 PHE  HD          122 PHE  HB-         5.50    (#   3346:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 3346, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1900,1908,
 igr2=1896,1897,
 &end
#
#  138 PRO  HB-         131 ASP  HB-         5.50    (#   3347:25  Unique         5.15, 6.18 A)
 &rst
  ixpk= 3347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2151,2152,
 igr2=2041,2042,
 &end
#
#   47 LEU  MDY          16 LEU  HB-         3.50    (#   3348:25  Unique         2.58, 4.17 A)
 &rst
  ixpk= 3348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 762, 763, 764, 766, 767, 768,
 igr2= 257, 258,
 &end
#
#    0 AMB  25-2:3349     0 AMB  25-1:3349   4.50    (#   3349:25  Double Ambig)
 &rst
  ixpk= 3349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 igr2= 257, 258, 257, 258,
 &end
#
#   43 VAL  MGY          47 LEU  HB-         5.50    (#   3350:25  Unique         2.67, 5.58 A)
 &rst
  ixpk= 3350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 757, 758,
 &end
#
#    4 SER  HA            5 ILE  HB          5.50    (#   3351:25  Unique         4.69, 4.73 A)
 &rst
  ixpk= 3351, nxpk= 25, iat=  58,  71, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 ALA  HN           25 ASP  HB+         3.50    (#   3352:25  Unique         2.86, 3.46 A)
 &rst
  ixpk= 3352, nxpk= 25, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#    0 AMB  25-2:3353    25 ASP  HB-         4.50    (#   3353:25  Single Ambig)
 &rst
  ixpk= 3353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1= 419, 420, 421, 356, 357, 359, 360,
 igr2= 407, 408,
 &end
#
#  116 PHE  HD          116 PHE  HB-         5.50    (#   3354:25  Unique         2.33, 3.03 A)
 &rst
  ixpk= 3354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1792,1800,
 igr2=1788,1789,
 &end
#
#  109 GLN  HN          107 ASN  HB+         5.50    (#   3355:25  Unique         2.46, 3.47 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1663,1664,
 &end
#
#  110 ASN  HN          107 ASN  HB+         4.50    (#   3356:25  Unique         2.87, 3.82 A)
 &rst
  ixpk= 3356, nxpk= 25, iat=1705,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1663,1664,
 &end
#
#  110 ASN  HN          107 ASN  HB-         4.50    (#   3357:25  Unique         2.87, 3.82 A)
 &rst
  ixpk= 3357, nxpk= 25, iat=1705,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1663,1664,
 &end
#
#  107 ASN  HD2-        107 ASN  HB-         4.50    (#   3358:25  Unique         2.14, 3.30 A)
 &rst
  ixpk= 3358, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1668,1669,
 igr2=1663,1664,
 &end
#
#  107 ASN  HD2-        107 ASN  HB+         3.50    (#   3359:25  Unique         2.14, 3.30 A)
 &rst
  ixpk= 3359, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1668,1669,
 igr2=1663,1664,
 &end
#
#  107 ASN  HA          107 ASN  HB-         4.50    (#   3360:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 3360, nxpk= 25, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1663,1664,
 &end
#
#  107 ASN  HA          107 ASN  HB+         3.50    (#   3362:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 3362, nxpk= 25, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1663,1664,
 &end
#
#    0 AMB  25-2:3364     0 AMB  25-1:3364   3.50    (#   3364:25  Double Ambig)
 &rst
  ixpk= 3364, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1709,1710,1709,1710,
 igr2=1663,1664, 472, 473,
 &end
#
#    0 AMB  25-2:3366   144 TYR  HB-         5.50    (#   3366:25  Single Ambig)
 &rst
  ixpk= 3366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1582,2249,2254,
 igr2=2243,2244,
 &end
#
#  144 TYR  HD          144 TYR  HB-         4.50    (#   3367:25  Unique         2.30, 3.05 A)
 &rst
  ixpk= 3367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2247,2256,
 igr2=2243,2244,
 &end
#
#  122 PHE  HA          144 TYR  HB-         4.50    (#   3368:25  Unique         4.40, 4.88 A)
 &rst
  ixpk= 3368, nxpk= 25, iat=1894,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2243,2244,
 &end
#
#  102 LEU  MDY         144 TYR  HB-         3.50    (#   3369:25  Unique         3.92, 5.74 A)
 &rst
  ixpk= 3369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=2243,2244,
 &end
#
#    0 AMB  25-2:3370   144 TYR  HB-         4.50    (#   3370:25  Single Ambig)
 &rst
  ixpk= 3370, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=1503,2233,2234,2235,1607,1608,1609,
 igr2=2243,2244,
 &end
#
#    0 AMB  25-2:3372     0 AMB  25-1:3372   4.50    (#   3372:25  Double Ambig)
 &rst
  ixpk= 3372, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 939, 910,
 igr2= 914, 915, 914, 915,
 &end
#
#    1 MET  ME           57 ASN  HB-         5.50    (#   3374:25  Unique         2.09, 3.48 A)
 &rst
  ixpk= 3374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  15,  16,  17,
 igr2= 914, 915,
 &end
#
#  109 GLN  HE2+         30 PHE  HB+         5.50    (#   3375:25  Unique         2.18, 3.47 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1700,1701,
 igr2= 472, 473,
 &end
#
#   35 TYR  HD           35 TYR  HB+         4.50    (#   3376:25  Unique         2.30, 3.06 A)
 &rst
  ixpk= 3376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 551, 560,
 igr2= 547, 548,
 &end
#
#   67 LEU  HN           66 MET  HB+         4.50    (#   3377:25  Unique         4.30, 4.40 A)
 &rst
  ixpk= 3377, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1053,1054,
 &end
#
#   89 ARG  HG-          93 GLU  HG+         4.50    (#   3378:25  Unique         3.33, 4.54 A)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1386,1387,
 igr2=1461,1462,
 &end
#
#    0 AMB  25-2:3379     0 AMB  25-1:3379   3.50    (#   3379:25  Double Ambig)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 776, 777,2184,
 igr2= 793, 794,1680,1681,
 &end
#
#  113 ALA  MB          110 ASN  HB-         4.50    (#   3380:25  Unique         2.01, 4.61 A)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1755,1756,1757,
 igr2=1709,1710,
 &end
#
#   16 LEU  HN           15 GLU  HG+         4.50    (#   3381:25  Unique         4.31, 4.77 A)
 &rst
  ixpk= 3381, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 245, 246,
 &end
#
#   16 LEU  HN           15 GLU  HG-         4.50    (#   3382:25  Unique         4.31, 4.77 A)
 &rst
  ixpk= 3382, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 245, 246,
 &end
#
#   19 ILE  MD1          15 GLU  HG+         5.50    (#   3384:25  Unique         5.76, 7.26 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 311, 312, 313,
 igr2= 245, 246,
 &end
#
#   19 ILE  MD1          15 GLU  HG-         5.50    (#   3385:25  Unique         5.76, 7.26 A)
 &rst
  ixpk= 3385, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 311, 312, 313,
 igr2= 245, 246,
 &end
#
#    0 AMB  25-2:3386     0 AMB  25-1:3386   4.50    (#   3386:25  Double Ambig)
 &rst
  ixpk= 3386, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2021, 551, 560,
 igr2=2013,2014, 609, 610,
 &end
#
#  130 VAL  MGY         129 GLU  HG+         5.50    (#   3387:25  Unique         4.53, 6.59 A)
 &rst
  ixpk= 3387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2027,2028,2029,2031,2032,2033,
 igr2=2013,2014,
 &end
#
#   59 ARG  HN           58 GLU  HG+         4.50    (#   3388:25  Unique         4.20, 4.76 A)
 &rst
  ixpk= 3388, nxpk= 25, iat= 939,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 931, 932,
 &end
#
#   58 GLU  HN           58 GLU  HG+         5.50    (#   3389:25  Unique         4.29, 4.43 A)
 &rst
  ixpk= 3389, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 931, 932,
 &end
#
#   38 GLU  HN           38 GLU  HG-         2.80    (#   3390:25  Unique         2.04, 3.18 A)
 &rst
  ixpk= 3390, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 609, 610,
 &end
#
#    0 AMB  25-2:3391   109 GLN  HG-         4.50    (#   3391:25  Single Ambig)
 &rst
  ixpk= 3391, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2133,2138,1700,1701,
 igr2=1695,1696,
 &end
#
#  145 VAL  MGX           0 AMB  25-1:3393   2.80    (#   3393:25  Single Ambig)
 &rst
  ixpk= 3393, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2266,2267,2268,2270,2271,2272,
 igr2=1916,1917,1916,1917,
 &end
#
#  113 ALA  MB          106 VAL  HB          4.50    (#   3394:25  Unique         3.50, 4.59 A)
 &rst
  ixpk= 3394, nxpk= 25, iat=  -1,1647, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1755,1756,1757,
 &end
#
#   12 GLU  HA           12 GLU  HG-         3.50    (#   3395:25  Unique         2.77, 3.75 A)
 &rst
  ixpk= 3395, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 208, 209,
 &end
#
#    0 AMB  25-2:3396    12 GLU  HG-         3.50    (#   3396:25  Single Ambig)
 &rst
  ixpk= 3396, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 149, 150, 152, 153, 152, 153,
 igr2= 208, 209,
 &end
#
#   12 GLU  HB-          12 GLU  HG-         2.80    (#   3397:25  Unique         2.21, 2.67 A)
 &rst
  ixpk= 3397, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 205, 206,
 igr2= 208, 209,
 &end
#
#   56 VAL  HN           56 VAL  HB          5.50    (#   3398:25  Unique         3.65, 3.67 A)
 &rst
  ixpk= 3398, nxpk= 25, iat= 894, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3400     0 AMB  25-1:3400   4.50    (#   3400:25  Double Ambig)
 &rst
  ixpk= 3400, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 977,2039,
 igr2= 898,2025,
 &end
#
#   27 THR  MG2         112 GLN  HG+         5.50    (#   3401:25  Unique         2.70, 5.52 A)
 &rst
  ixpk= 3401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 431, 432, 433,
 igr2=1741,1742,
 &end
#
#   71 GLN  HE2-         71 GLN  HG-         5.50    (#   3402:25  Unique         2.14, 3.36 A)
 &rst
  ixpk= 3402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1134,1135,
 igr2=1129,1130,
 &end
#
#    0 AMB  25-2:3403    71 GLN  HG-         5.50    (#   3403:25  Single Ambig)
 &rst
  ixpk= 3403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1139,1543,
 igr2=1129,1130,
 &end
#
#  102 LEU  MDX          73 MET  HB+         3.50    (#   3404:25  Unique         2.04, 4.33 A)
 &rst
  ixpk= 3404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1160,1161,
 &end
#
#    0 AMB  25-2:3405    54 VAL  HB          4.50    (#   3405:25  Single Ambig)
 &rst
  ixpk= 3405, nxpk= 25, iat=  -1, 872, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 102,1031,
 &end
#
#  104 THR  HB           73 MET  HB+         4.50    (#   3407:25  Unique         2.14, 2.69 A)
 &rst
  ixpk= 3407, nxpk= 25, iat=1619,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1160,1161,
 &end
#
#  104 THR  HB           73 MET  HB-         4.50    (#   3408:25  Unique         2.14, 2.69 A)
 &rst
  ixpk= 3408, nxpk= 25, iat=1619,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1160,1161,
 &end
#
#   98 MET  ME           98 MET  HB+         3.50    (#   3409:25  Unique         2.05, 3.35 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1537,1538,1539,
 igr2=1530,1531,
 &end
#
#   98 MET  ME           98 MET  HB-         3.50    (#   3410:25  Unique         2.05, 3.35 A)
 &rst
  ixpk= 3410, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1537,1538,1539,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:3411    72 HIS  HB-         5.50    (#   3411:25  Single Ambig)
 &rst
  ixpk= 3411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1122,1601,
 igr2=1143,1144,
 &end
#
#   79 ASP  HB+          63 VAL  HB          4.50    (#   3414:25  Unique         2.00, 3.01 A)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1,1010, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1257,1258,
 &end
#
#    6 ARG  HG-           6 ARG  HB-         4.50    (#   3415:25  Unique         2.21, 2.71 A)
 &rst
  ixpk= 3415, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#  125 THR  HN          124 VAL  HB          5.50    (#   3417:25  Unique         4.20, 4.36 A)
 &rst
  ixpk= 3417, nxpk= 25, iat=1950,1938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3419     0 AMB  25-1:3419   5.50    (#   3419:25  Double Ambig)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1934,  56,
 igr2=1829,1830,1829,1830,  25,
 &end
#
#   54 VAL  HN           53 TRP  HB-         4.50    (#   3420:25  Unique         2.31, 2.88 A)
 &rst
  ixpk= 3420, nxpk= 25, iat= 868,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 848, 849,
 &end
#
#   53 TRP  HE3          53 TRP  HB+         5.50    (#   3421:25  Unique         2.43, 3.21 A)
 &rst
  ixpk= 3421, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 848, 849,
 &end
#
#   53 TRP  HE3          53 TRP  HB-         4.50    (#   3422:25  Unique         2.43, 3.21 A)
 &rst
  ixpk= 3422, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 848, 849,
 &end
#
#   53 TRP  HD1          53 TRP  HB-         5.50    (#   3423:25  Unique         2.79, 3.34 A)
 &rst
  ixpk= 3423, nxpk= 25, iat= 852,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 848, 849,
 &end
#
#    0 AMB  25-2:3424     0 AMB  25-1:3424   4.50    (#   3424:25  Double Ambig)
 &rst
  ixpk= 3424, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1=1428,1429,1430,1432,1433,1434, 874, 875, 876, 878,
       879, 880, 834, 835, 836, 838, 839, 840,
 igr2= 848, 849, 848, 849, 848, 849,
 &end
#
#    0 AMB  25-2:3426    87 VAL  HB          3.50    (#   3426:25  Single Ambig)
 &rst
  ixpk= 3426, nxpk= 25, iat=  -1,1360, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1358,1374,1375,
 &end
#
#   90 VAL  MGX          90 VAL  HB          2.80    (#   3427:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 3427, nxpk= 25, iat=  -1,1407, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#  140 LEU  HG          108 GLU  HB+         3.50    (#   3428:25  Unique         2.92, 3.88 A)
 &rst
  ixpk= 3428, nxpk= 25, iat=2184,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1677,1678,
 &end
#
#   95 ALA  HA           98 MET  HG-         5.50    (#   3430:25  Unique         3.54, 4.39 A)
 &rst
  ixpk= 3430, nxpk= 25, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1533,1534,
 &end
#
#   48 PRO  HG-          48 PRO  HB-         2.80    (#   3431:25  Unique         2.32, 2.58 A)
 &rst
  ixpk= 3431, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 776, 777,
 igr2= 779, 780,
 &end
#
#   66 MET  ME           94 HIS  HB+         4.50    (#   3433:25  Unique         1.98, 3.20 A)
 &rst
  ixpk= 3433, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1060,1061,1062,
 igr2=1473,1474,
 &end
#
#    0 AMB  25-2:3434    43 VAL  HB          4.50    (#   3434:25  Single Ambig)
 &rst
  ixpk= 3434, nxpk= 25, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 621, 622, 760,
 &end
#
#    3 ILE  MD1           1 MET  HG-         3.50    (#   3435:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 3435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  50,  51,  52,
 igr2=  11,  12,
 &end
#
#    3 ILE  HG1+          1 MET  HG-         4.50    (#   3436:25  Unique         2.97, 4.62 A)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  47,  48,
 igr2=  11,  12,
 &end
#
#   82 VAL  HN           82 VAL  HB          4.50    (#   3438:25  Unique         3.62, 3.66 A)
 &rst
  ixpk= 3438, nxpk= 25, iat=1291,1295, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 ILE  MD1           1 MET  HG+         4.50    (#   3439:25  Unique         2.06, 3.79 A)
 &rst
  ixpk= 3439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  50,  51,  52,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG+         5.50    (#   3440:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 3440, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG-         4.50    (#   3441:25  Unique         2.40, 3.07 A)
 &rst
  ixpk= 3441, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   23 SER  HN           24 VAL  HB          4.50    (#   3443:25  Unique         4.50, 4.57 A)
 &rst
  ixpk= 3443, nxpk= 25, iat= 376, 391, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 ALA  HN           49 GLU  HB-         4.50    (#   3445:25  Unique         3.82, 4.18 A)
 &rst
  ixpk= 3445, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 790, 791,
 &end
#
#   50 ALA  HN           49 GLU  HB+         5.50    (#   3446:25  Unique         3.82, 4.18 A)
 &rst
  ixpk= 3446, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 790, 791,
 &end
#
#    8 SER  HN            7 ARG  HB-         4.50    (#   3448:25  Unique         2.91, 3.42 A)
 &rst
  ixpk= 3448, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 114, 115,
 &end
#
#    8 SER  HN            7 ARG  HB+         4.50    (#   3449:25  Unique         2.91, 3.42 A)
 &rst
  ixpk= 3449, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 114, 115,
 &end
#
#  118 LYS  HA          118 LYS  HD-         4.50    (#   3450:25  Unique         3.33, 3.92 A)
 &rst
  ixpk= 3450, nxpk= 25, iat=1827,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#  129 GLU  HA          129 GLU  HB+         2.80    (#   3451:25  Unique         2.40, 2.74 A)
 &rst
  ixpk= 3451, nxpk= 25, iat=2008,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2010,2011,
 &end
#
#   44 ARG  HE            0 AMB  25-1:3452   5.50    (#   3452:25  Single Ambig)
 &rst
  ixpk= 3452, nxpk= 25, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 702, 703, 702, 703,
 &end
#
#  109 GLN  HN          109 GLN  HB+         4.50    (#   3453:25  Unique         2.26, 3.01 A)
 &rst
  ixpk= 3453, nxpk= 25, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1692,1693,
 &end
#
#   90 VAL  HN            0 AMB  25-1:3455   2.80    (#   3455:25  Single Ambig)
 &rst
  ixpk= 3455, nxpk= 25, iat=1403,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1383,1384,1383,1384,
 &end
#
#   90 VAL  MGX           0 AMB  25-1:3456   5.50    (#   3456:25  Single Ambig)
 &rst
  ixpk= 3456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1409,1410,1411,1413,1414,1415,
 igr2=1383,1384,1383,1384,
 &end
#
#    0 AMB  25-2:3457     0 AMB  25-1:3457   4.50    (#   3457:25  Double Ambig)
 &rst
  ixpk= 3457, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1700,1701,2133,2138,
 igr2=1692,1693,1692,1693,
 &end
#
#    0 AMB  25-2:3459     0 AMB  25-1:3459   4.50    (#   3459:25  Double Ambig)
 &rst
  ixpk= 3459, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 577, 588,
 igr2= 568, 569, 568, 569,
 &end
#
#   44 ARG  HA           44 ARG  HB+         3.50    (#   3460:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 3460, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 702, 703,
 &end
#
#    3 ILE  MD1          85 CYS  HB-         4.50    (#   3462:25  Unique         4.60, 6.26 A)
 &rst
  ixpk= 3462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  50,  51,  52,
 igr2=1342,1343,
 &end
#
#    3 ILE  MD1          85 CYS  HB+         5.50    (#   3463:25  Unique         4.60, 6.26 A)
 &rst
  ixpk= 3463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  50,  51,  52,
 igr2=1342,1343,
 &end
#
#   77 PHE  HE           20 TRP  HB-         5.50    (#   3466:25  Unique         5.63, 6.60 A)
 &rst
  ixpk= 3466, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1224,1228,
 igr2= 321, 322,
 &end
#
#   12 GLU  HN            0 AMB  25-1:3468   4.50    (#   3468:25  Single Ambig)
 &rst
  ixpk= 3468, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 190, 191, 190, 191,
 &end
#
#    0 AMB  25-2:3469    76 LEU  HG          5.50    (#   3469:25  Single Ambig)
 &rst
  ixpk= 3469, nxpk= 25, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1053,1054,1053,1054,
 &end
#
#   91 LEU  MDY          76 LEU  HG          4.50    (#   3470:25  Unique         3.07, 4.70 A)
 &rst
  ixpk= 3470, nxpk= 25, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  25-2:3471    76 LEU  HG          5.50    (#   3471:25  Single Ambig)
 &rst
  ixpk= 3471, nxpk= 25, iat=  -1,1202, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1423,1424,1167,1168,1169,
 &end
#
#   60 ASP  HN            0 AMB  25-1:3472   4.50    (#   3472:25  Single Ambig)
 &rst
  ixpk= 3472, nxpk= 25, iat= 963,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 946, 947, 946, 947,
 &end
#
#  144 TYR  HB-         102 LEU  MDY         3.50    (#   3473:25  Unique         3.92, 5.74 A)
 &rst
  ixpk= 3473, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2243,2244,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  135 LYS  HA          135 LYS  HD-         5.50    (#   3474:25  Unique         4.34, 4.98 A)
 &rst
  ixpk= 3474, nxpk= 25, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2097,2098,
 &end
#
#  135 LYS  HA          135 LYS  HD+         4.50    (#   3475:25  Unique         4.34, 4.98 A)
 &rst
  ixpk= 3475, nxpk= 25, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2097,2098,
 &end
#
#  127 ARG  HA          127 ARG  HG+         4.50    (#   3476:25  Unique         2.44, 3.54 A)
 &rst
  ixpk= 3476, nxpk= 25, iat=1973,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1978,1979,
 &end
#
#  127 ARG  HA          127 ARG  HG-         5.50    (#   3477:25  Unique         2.44, 3.54 A)
 &rst
  ixpk= 3477, nxpk= 25, iat=1973,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1978,1979,
 &end
#
#  127 ARG  HD-         127 ARG  HG+         4.50    (#   3478:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1981,1982,
 igr2=1978,1979,
 &end
#
#  127 ARG  HD-         127 ARG  HG-         4.50    (#   3479:25  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1981,1982,
 igr2=1978,1979,
 &end
#
#    3 ILE  HA            3 ILE  HG1+        5.50    (#   3480:25  Unique         3.09, 3.45 A)
 &rst
  ixpk= 3480, nxpk= 25, iat=  39,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  47,  48,
 &end
#
#    4 SER  HA            5 ILE  HG1-        5.50    (#   3481:25  Unique         3.22, 4.14 A)
 &rst
  ixpk= 3481, nxpk= 25, iat=  58,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  77,  78,
 &end
#
#   36 ARG  HE            0 AMB  25-1:3482   5.50    (#   3482:25  Single Ambig)
 &rst
  ixpk= 3482, nxpk= 25, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 571, 572, 571, 572,
 &end
#
#   24 VAL  MGX          28 HIS  HB+         5.50    (#   3483:25  Unique         2.00, 4.28 A)
 &rst
  ixpk= 3483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 393, 394, 395, 397, 398, 399,
 igr2= 443, 444,
 &end
#
#   31 LEU  MDY          28 HIS  HB+         5.50    (#   3484:25  Unique         2.00, 5.12 A)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 443, 444,
 &end
#
#    4 SER  HA            5 ILE  HG1+        4.50    (#   3485:25  Unique         3.22, 4.14 A)
 &rst
  ixpk= 3485, nxpk= 25, iat=  58,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  77,  78,
 &end
#
#    0 AMB  25-2:3486    78 ILE  HG1-        4.50    (#   3486:25  Single Ambig)
 &rst
  ixpk= 3486, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1236,1216,
 igr2=1244,1245,
 &end
#
#   39 LEU  HA           39 LEU  HG          4.50    (#   3487:25  Unique         2.31, 2.76 A)
 &rst
  ixpk= 3487, nxpk= 25, iat= 619, 624, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 ARG  HB+           7 ARG  HG-         2.80    (#   3488:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 3488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 114, 115,
 igr2= 117, 118,
 &end
#
#  142 LEU  HA          142 LEU  MDY         5.50    (#   3489:25  Unique         2.37, 4.17 A)
 &rst
  ixpk= 3489, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  117 TYR  HE          142 LEU  MDY         4.50    (#   3490:25  Unique         3.55, 6.69 A)
 &rst
  ixpk= 3490, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1814,1819,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:3492   142 LEU  MDY         4.50    (#   3492:25  Single Ambig)
 &rst
  ixpk= 3492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2210,1912,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#   65 PHE  HD           52 LEU  MDY         5.50    (#   3493:25  Unique         2.00, 4.69 A)
 &rst
  ixpk= 3493, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1037,1045,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   65 PHE  HB+          52 LEU  MDY         5.50    (#   3494:25  Unique         1.98, 3.61 A)
 &rst
  ixpk= 3494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1033,1034,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#    8 SER  HB-          52 LEU  MDY         5.50    (#   3495:25  Unique         1.99, 4.61 A)
 &rst
  ixpk= 3495, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 138, 139,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   67 LEU  HG           67 LEU  MDY         2.80    (#   3496:25  Unique         2.21, 2.63 A)
 &rst
  ixpk= 3496, nxpk= 25, iat=1073,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   75 ALA  MB           67 LEU  MDY         3.50    (#   3497:25  Unique         2.41, 5.97 A)
 &rst
  ixpk= 3497, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1189,1190,1191,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   67 LEU  HB-          67 LEU  MDY         2.80    (#   3498:25  Unique         2.23, 3.31 A)
 &rst
  ixpk= 3498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1070,1071,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#  105 ASN  HD2+        139 LEU  HG          4.50    (#   3500:25  Unique         3.42, 4.74 A)
 &rst
  ixpk= 3500, nxpk= 25, iat=  -1,2165, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1638,1639,
 &end
#
#    0 AMB  25-2:3501     0 AMB  25-1:3501   5.50    (#   3501:25  Double Ambig)
 &rst
  ixpk= 3501, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
 igr1=1999,2000,1024,1025,1619,
 igr2=2186,2187,2188,2190,2191,2192,1204,1205,1206,1208,
      1209,1210,1094,1095,1096,1098,1099,1100,
 &end
#
#   96 LEU  HB-          96 LEU  HG          2.80    (#   3502:25  Unique         2.46, 2.74 A)
 &rst
  ixpk= 3502, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1500,1501,
 &end
#
#   92 VAL  HN           76 LEU  MDX         5.50    (#   3503:25  Unique         3.33, 4.66 A)
 &rst
  ixpk= 3503, nxpk= 25, iat=1438,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#  117 TYR  HE           76 LEU  MDX         5.50    (#   3504:25  Unique         5.12, 7.13 A)
 &rst
  ixpk= 3504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1814,1819,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   66 MET  HB+          76 LEU  MDX         4.50    (#   3507:25  Unique         2.92, 5.38 A)
 &rst
  ixpk= 3507, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1053,1054,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   73 MET  HG+          76 LEU  MDX         4.50    (#   3508:25  Unique         3.24, 5.57 A)
 &rst
  ixpk= 3508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1163,1164,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#   55 ALA  HN           91 LEU  MDY         4.50    (#   3509:25  Unique         3.33, 4.11 A)
 &rst
  ixpk= 3509, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#  118 LYS  HN          118 LYS  HG-         5.50    (#   3511:25  Unique         3.51, 4.06 A)
 &rst
  ixpk= 3511, nxpk= 25, iat=1825,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1832,1833,
 &end
#
#   30 PHE  HN           31 LEU  MDY         5.50    (#   3512:25  Unique         3.66, 6.56 A)
 &rst
  ixpk= 3512, nxpk= 25, iat= 468,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HA           31 LEU  MDY         5.50    (#   3513:25  Unique         2.16, 3.98 A)
 &rst
  ixpk= 3513, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   36 ARG  HA           31 LEU  MDY         5.50    (#   3514:25  Unique         2.64, 4.76 A)
 &rst
  ixpk= 3514, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  140 LEU  HB+         142 LEU  MDX         3.50    (#   3516:25  Unique         2.58, 4.80 A)
 &rst
  ixpk= 3516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2181,2182,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:3518    39 LEU  MDY         4.50    (#   3518:25  Single Ambig)
 &rst
  ixpk= 3518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 553, 558, 332,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#    0 AMB  25-2:3519    39 LEU  MDY         5.50    (#   3519:25  Single Ambig)
 &rst
  ixpk= 3519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1= 688, 689, 690, 692, 693, 694, 393, 394, 395, 397,
       398, 399,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   43 VAL  MGX          47 LEU  MDY         5.50    (#   3520:25  Unique         2.02, 5.42 A)
 &rst
  ixpk= 3520, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   47 LEU  HN           47 LEU  MDY         5.50    (#   3521:25  Unique         4.12, 4.69 A)
 &rst
  ixpk= 3521, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   20 TRP  HD1          47 LEU  MDY         5.50    (#   3522:25  Unique         4.02, 5.88 A)
 &rst
  ixpk= 3522, nxpk= 25, iat= 325,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  25-2:3524    47 LEU  MDY         4.50    (#   3524:25  Single Ambig)
 &rst
  ixpk= 3524, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1039,1043,1037,1045,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   71 GLN  HA          102 LEU  MDX         5.50    (#   3525:25  Unique         4.01, 5.63 A)
 &rst
  ixpk= 3525, nxpk= 25, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:3526   102 LEU  MDX         5.50    (#   3526:25  Single Ambig)
 &rst
  ixpk= 3526, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1488,1440,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:3527   102 LEU  MDX         5.50    (#   3527:25  Single Ambig)
 &rst
  ixpk= 3527, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=2243,2244,1126,1127,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  144 TYR  HE           96 LEU  MDX         5.50    (#   3528:25  Unique         2.00, 4.49 A)
 &rst
  ixpk= 3528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2249,2254,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   72 HIS  HD2          68 LEU  MDX         5.50    (#   3529:25  Unique         4.93, 7.16 A)
 &rst
  ixpk= 3529, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   72 HIS  HN           68 LEU  MDX         5.50    (#   3530:25  Unique         1.94, 4.01 A)
 &rst
  ixpk= 3530, nxpk= 25, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#  111 GLU  HN          114 VAL  MGX         5.50    (#   3531:25  Unique         4.21, 6.38 A)
 &rst
  ixpk= 3531, nxpk= 25, iat=1719,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  114 VAL  HB          114 VAL  MGX         2.80    (#   3533:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 3533, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#    0 AMB  25-2:3534    92 VAL  MGX         4.50    (#   3534:25  Single Ambig)
 &rst
  ixpk= 3534, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1458,1459,1163,1164,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#  142 LEU  MDY         114 VAL  MGX         5.50    (#   3536:25  Unique         4.06, 6.56 A)
 &rst
  ixpk= 3536, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#    0 AMB  25-2:3537    92 VAL  MGX         5.50    (#   3537:25  Single Ambig)
 &rst
  ixpk= 3537, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#  142 LEU  MDX         114 VAL  MGX         5.50    (#   3539:25  Unique         4.06, 6.56 A)
 &rst
  ixpk= 3539, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#   43 VAL  MGX          47 LEU  MDX         5.50    (#   3540:25  Unique         2.02, 5.42 A)
 &rst
  ixpk= 3540, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   47 LEU  HN           47 LEU  MDX         5.50    (#   3541:25  Unique         4.12, 4.69 A)
 &rst
  ixpk= 3541, nxpk= 25, iat= 753,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   52 LEU  MDX          75 ALA  MB          5.50    (#   3547:25  Unique         4.26, 7.43 A)
 &rst
  ixpk= 3547, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2=1189,1190,1191,
 &end
#
#   42 LEU  HN           42 LEU  MDY         5.50    (#   3548:25  Unique         3.35, 4.56 A)
 &rst
  ixpk= 3548, nxpk= 25, iat= 663,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 672, 673, 674, 676, 677, 678,
 &end
#
#  105 ASN  HD2-          0 AMB  25-1:3549   5.50    (#   3549:25  Single Ambig)
 &rst
  ixpk= 3549, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1638,1639,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#  107 ASN  HD2-          0 AMB  25-1:3550   5.50    (#   3550:25  Single Ambig)
 &rst
  ixpk= 3550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1668,1669,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  25-2:3552   133 LEU  MDY         5.50    (#   3552:25  Single Ambig)
 &rst
  ixpk= 3552, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=2100,2101,2100,2101,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#  133 LEU  HB-         133 LEU  MDY         2.80    (#   3553:25  Unique         2.12, 3.22 A)
 &rst
  ixpk= 3553, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2065,2066,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#  144 TYR  HB-          96 LEU  MDY         3.50    (#   3556:25  Unique         2.50, 4.85 A)
 &rst
  ixpk= 3556, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2243,2244,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#    8 SER  HA           54 VAL  MGY         4.50    (#   3557:25  Unique         2.31, 3.72 A)
 &rst
  ixpk= 3557, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#  103 THR  HA          143 ALA  MB          3.50    (#   3558:25  Unique         3.81, 4.37 A)
 &rst
  ixpk= 3558, nxpk= 25, iat=1603,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=2233,2234,2235,
 &end
#
#   65 PHE  HB+          16 LEU  MDX         4.50    (#   3562:25  Unique         2.85, 4.36 A)
 &rst
  ixpk= 3562, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1033,1034,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   54 VAL  MGY          16 LEU  MDX         2.80    (#   3563:25  Unique         1.99, 4.69 A)
 &rst
  ixpk= 3563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   86 GLY  HA+          90 VAL  MGX         5.50    (#   3564:25  Unique         4.00, 6.73 A)
 &rst
  ixpk= 3564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1351,1352,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#  104 THR  MG2         106 VAL  MGY         5.50    (#   3565:25  Unique         4.66, 6.89 A)
 &rst
  ixpk= 3565, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1621,1622,1623,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  25-2:3566    90 VAL  MGX         3.50    (#   3566:25  Single Ambig)
 &rst
  ixpk= 3566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1383,1384,1383,1384,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#  107 ASN  HN          106 VAL  MGX         5.50    (#   3567:25  Unique         2.00, 3.94 A)
 &rst
  ixpk= 3567, nxpk= 25, iat=1659,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  25-2:3568    17 VAL  MGY         4.50    (#   3568:25  Single Ambig)
 &rst
  ixpk= 3568, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 753, 682,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#  117 TYR  HE          106 VAL  MGX         5.50    (#   3569:25  Unique         4.14, 5.89 A)
 &rst
  ixpk= 3569, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1814,1819,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  142 LEU  MDY           0 AMB  25-1:3571   4.50    (#   3571:25  Single Ambig)
 &rst
  ixpk= 3571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1940,1941,1942,1944,1945,1946,1649,1650,1651,1653,
      1654,1655,
 &end
#
#  140 LEU  HB+         106 VAL  MGX         2.80    (#   3573:25  Unique         2.01, 5.07 A)
 &rst
  ixpk= 3573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2181,2182,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  123 LYS  HD-         125 THR  MG2         3.50    (#   3574:25  Unique         2.15, 4.47 A)
 &rst
  ixpk= 3574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1922,1923,
 igr2=1956,1957,1958,
 &end
#
#   91 LEU  HN           87 VAL  MGY         5.50    (#   3575:25  Unique         3.01, 5.27 A)
 &rst
  ixpk= 3575, nxpk= 25, iat=1419,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   56 VAL  HN           87 VAL  MGY         5.50    (#   3576:25  Unique         6.26, 7.63 A)
 &rst
  ixpk= 3576, nxpk= 25, iat= 894,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  25-2:3578   124 VAL  MGY         5.50    (#   3578:25  Single Ambig)
 &rst
  ixpk= 3578, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1912,2229,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  142 LEU  HA          124 VAL  MGY         5.50    (#   3579:25  Unique         3.77, 4.99 A)
 &rst
  ixpk= 3579, nxpk= 25, iat=2212,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  118 LYS  HE-         124 VAL  MGY         4.50    (#   3580:25  Unique         1.99, 4.28 A)
 &rst
  ixpk= 3580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1838,1839,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  142 LEU  MDY         124 VAL  MGY         5.50    (#   3581:25  Unique         2.00, 4.77 A)
 &rst
  ixpk= 3581, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#    0 AMB  25-2:3582    31 LEU  MDX         5.50    (#   3582:25  Single Ambig)
 &rst
  ixpk= 3582, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 547, 548, 472, 473,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   28 HIS  HB-          31 LEU  MDX         5.50    (#   3583:25  Unique         2.00, 5.12 A)
 &rst
  ixpk= 3583, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 443, 444,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    9 ARG  HN           54 VAL  MGX         5.50    (#   3584:25  Unique         4.34, 5.58 A)
 &rst
  ixpk= 3584, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   63 VAL  HN           54 VAL  MGX         5.50    (#   3585:25  Unique         4.90, 6.81 A)
 &rst
  ixpk= 3585, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   56 VAL  HA           54 VAL  MGX         5.50    (#   3586:25  Unique         5.95, 7.10 A)
 &rst
  ixpk= 3586, nxpk= 25, iat= 896,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    8 SER  HB+          54 VAL  MGX         4.50    (#   3587:25  Unique         2.22, 4.11 A)
 &rst
  ixpk= 3587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 138, 139,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   56 VAL  HA           63 VAL  MGY         3.50    (#   3589:25  Unique         2.90, 4.60 A)
 &rst
  ixpk= 3589, nxpk= 25, iat= 896,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   83 ARG  HB+          27 THR  MG2         5.50    (#   3590:25  Unique         6.31, 7.55 A)
 &rst
  ixpk= 3590, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1311,1312,
 igr2= 431, 432, 433,
 &end
#
#  112 GLN  HG+          27 THR  MG2         5.50    (#   3591:25  Unique         2.70, 5.52 A)
 &rst
  ixpk= 3591, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1741,1742,
 igr2= 431, 432, 433,
 &end
#
#  112 GLN  HG-          27 THR  MG2         4.50    (#   3592:25  Unique         2.70, 5.52 A)
 &rst
  ixpk= 3592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1741,1742,
 igr2= 431, 432, 433,
 &end
#
#    0 AMB  25-2:3593   120 VAL  MGY         3.50    (#   3593:25  Single Ambig)
 &rst
  ixpk= 3593, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1900,1908,1885,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#    0 AMB  25-2:3594   130 VAL  MGY         4.50    (#   3594:25  Single Ambig)
 &rst
  ixpk= 3594, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=2013,2014,2091,2092,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#    0 AMB  25-2:3595   120 VAL  MGY         5.50    (#   3595:25  Single Ambig)
 &rst
  ixpk= 3595, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.22, r4=11.97,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#   60 ASP  HN           56 VAL  MGY         5.50    (#   3596:25  Unique         4.58, 5.61 A)
 &rst
  ixpk= 3596, nxpk= 25, iat= 963,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   61 GLN  HN           56 VAL  MGY         5.50    (#   3598:25  Unique         3.93, 4.93 A)
 &rst
  ixpk= 3598, nxpk= 25, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   57 ASN  HN           56 VAL  MGY         3.50    (#   3599:25  Unique         3.91, 4.48 A)
 &rst
  ixpk= 3599, nxpk= 25, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  25-2:3600    43 VAL  MGX         5.50    (#   3600:25  Single Ambig)
 &rst
  ixpk= 3600, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 722,1224,1228,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   46 PHE  HD           43 VAL  MGX         4.50    (#   3601:25  Unique         5.82, 7.97 A)
 &rst
  ixpk= 3601, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 741, 749,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   20 TRP  HZ2          43 VAL  MGX         4.50    (#   3602:25  Unique         2.92, 4.88 A)
 &rst
  ixpk= 3602, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   20 TRP  HH2          43 VAL  MGX         5.50    (#   3603:25  Unique         3.26, 5.43 A)
 &rst
  ixpk= 3603, nxpk= 25, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   57 ASN  HA           56 VAL  MGY         4.50    (#   3604:25  Unique         4.21, 5.93 A)
 &rst
  ixpk= 3604, nxpk= 25, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  25-2:3605    43 VAL  MGX         4.50    (#   3605:25  Single Ambig)
 &rst
  ixpk= 3605, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 737, 738, 345, 346,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:3606    56 VAL  MGY         2.80    (#   3606:25  Single Ambig)
 &rst
  ixpk= 3606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 999,1000, 996, 997,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    2 VAL  HB            2 VAL  MGY         2.80    (#   3607:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 3607, nxpk= 25, iat=  25,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#  119 LYS  HN          120 VAL  MGX         4.50    (#   3608:25  Unique         4.11, 6.19 A)
 &rst
  ixpk= 3608, nxpk= 25, iat=1847,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  117 TYR  HD          120 VAL  MGX         5.50    (#   3609:25  Unique         4.56, 7.26 A)
 &rst
  ixpk= 3609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1812,1821,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#   46 PHE  HB+          43 VAL  MGY         5.50    (#   3610:25  Unique         4.60, 5.96 A)
 &rst
  ixpk= 3610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 737, 738,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   20 TRP  HB-          43 VAL  MGY         5.50    (#   3611:25  Unique         3.16, 4.89 A)
 &rst
  ixpk= 3611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 321, 322,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:3612   120 VAL  MGX         5.50    (#   3612:25  Single Ambig)
 &rst
  ixpk= 3612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1389,1390,1389,1390,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#   89 ARG  HG+         120 VAL  MGY         2.80    (#   3613:25  Unique         3.15, 4.96 A)
 &rst
  ixpk= 3613, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1386,1387,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#    0 AMB  25-2:3614    82 VAL  MGY         5.50    (#   3614:25  Single Ambig)
 &rst
  ixpk= 3614, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1307, 919, 920,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   64 GLY  HA+          55 ALA  MB          3.50    (#   3615:25  Unique         2.94, 4.79 A)
 &rst
  ixpk= 3615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1024,1025,
 igr2= 888, 889, 890,
 &end
#
#   64 GLY  HA-          55 ALA  MB          5.50    (#   3616:25  Unique         2.94, 4.79 A)
 &rst
  ixpk= 3616, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1024,1025,
 igr2= 888, 889, 890,
 &end
#
#    0 AMB  25-2:3617     0 AMB  25-1:3617   4.50    (#   3617:25  Double Ambig)
 &rst
  ixpk= 3617, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1887,1888,2278,2279,1488,
 igr2=2287,2288,2289,1547,1548,1549,
 &end
#
#   23 SER  HN           24 VAL  MGX         5.50    (#   3618:25  Unique         3.68, 5.88 A)
 &rst
  ixpk= 3618, nxpk= 25, iat= 376,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   31 LEU  MDX          24 VAL  MGX         5.50    (#   3620:25  Unique         2.00, 5.06 A)
 &rst
  ixpk= 3620, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#  116 PHE  HN          113 ALA  MB          4.50    (#   3621:25  Unique         5.05, 5.35 A)
 &rst
  ixpk= 3621, nxpk= 25, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1755,1756,1757,
 &end
#
#  117 TYR  HE          113 ALA  MB          4.50    (#   3622:25  Unique         2.70, 4.84 A)
 &rst
  ixpk= 3622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1814,1819,
 igr2=1755,1756,1757,
 &end
#
#    0 AMB  25-2:3623   113 ALA  MB          5.50    (#   3623:25  Single Ambig)
 &rst
  ixpk= 3623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1806,1779,1780,
 igr2=1755,1756,1757,
 &end
#
#  110 ASN  HB-         113 ALA  MB          4.50    (#   3624:25  Unique         2.01, 4.61 A)
 &rst
  ixpk= 3624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1709,1710,
 igr2=1755,1756,1757,
 &end
#
#  101 GLU  HN           99 ALA  MB          3.50    (#   3625:25  Unique         3.66, 4.55 A)
 &rst
  ixpk= 3625, nxpk= 25, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1547,1548,1549,
 &end
#
#    0 AMB  25-2:3626    99 ALA  MB          4.50    (#   3626:25  Single Ambig)
 &rst
  ixpk= 3626, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1528,1563,
 igr2=1547,1548,1549,
 &end
#
#   68 LEU  MDX          95 ALA  MB          2.80    (#   3627:25  Unique         1.99, 3.90 A)
 &rst
  ixpk= 3627, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1490,1491,1492,
 &end
#
#   98 MET  HN           95 ALA  MB          5.50    (#   3628:25  Unique         5.11, 5.53 A)
 &rst
  ixpk= 3628, nxpk= 25, iat=1526,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1490,1491,1492,
 &end
#
#    0 AMB  25-2:3629    95 ALA  MB          5.50    (#   3629:25  Single Ambig)
 &rst
  ixpk= 3629, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1543,1139,
 igr2=1490,1491,1492,
 &end
#
#   57 ASN  HN           63 VAL  MGX         5.50    (#   3630:25  Unique         3.22, 4.95 A)
 &rst
  ixpk= 3630, nxpk= 25, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    3 ILE  HN            3 ILE  MG2         5.50    (#   3631:25  Unique         4.55, 4.75 A)
 &rst
  ixpk= 3631, nxpk= 25, iat=  37,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  43,  44,  45,
 &end
#
#   55 ALA  HA            3 ILE  MG2         4.50    (#   3632:25  Unique         4.33, 4.80 A)
 &rst
  ixpk= 3632, nxpk= 25, iat= 886,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  43,  44,  45,
 &end
#
#    4 SER  HA            3 ILE  MG2         5.50    (#   3633:25  Unique         3.52, 4.51 A)
 &rst
  ixpk= 3633, nxpk= 25, iat=  58,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  43,  44,  45,
 &end
#
#   57 ASN  HB-          63 VAL  MGX         5.50    (#   3634:25  Unique         3.18, 5.22 A)
 &rst
  ixpk= 3634, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 914, 915,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   46 PHE  HD           50 ALA  MB          4.50    (#   3635:25  Unique         2.70, 5.69 A)
 &rst
  ixpk= 3635, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 741, 749,
 igr2= 805, 806, 807,
 &end
#
#   51 PRO  HA           50 ALA  MB          5.50    (#   3636:25  Unique         4.89, 5.56 A)
 &rst
  ixpk= 3636, nxpk= 25, iat= 821,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 805, 806, 807,
 &end
#
#    0 AMB  25-2:3637    56 VAL  MGX         4.50    (#   3637:25  Single Ambig)
 &rst
  ixpk= 3637, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  96,  97,  96,  97,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   53 TRP  HE1          66 MET  ME          5.50    (#   3639:25  Unique         3.59, 4.53 A)
 &rst
  ixpk= 3639, nxpk= 25, iat= 854,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1060,1061,1062,
 &end
#
#    5 ILE  MD1          66 MET  ME          5.50    (#   3641:25  Unique         5.13, 6.69 A)
 &rst
  ixpk= 3641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  80,  81,  82,
 igr2=1060,1061,1062,
 &end
#
#   91 LEU  MDY          66 MET  ME          5.50    (#   3642:25  Unique         3.35, 6.45 A)
 &rst
  ixpk= 3642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=1060,1061,1062,
 &end
#
#   78 ILE  MD1          78 ILE  MG2         2.80    (#   3643:25  Unique         2.14, 3.56 A)
 &rst
  ixpk= 3643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1247,1248,1249,
 igr2=1240,1241,1242,
 &end
#
#  136 PRO  HA          130 VAL  MGX         5.50    (#   3644:25  Unique         2.91, 5.13 A)
 &rst
  ixpk= 3644, nxpk= 25, iat=2119,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  104 THR  HA          104 THR  MG2         4.50    (#   3647:25  Unique         3.54, 3.90 A)
 &rst
  ixpk= 3647, nxpk= 25, iat=1617,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1621,1622,1623,
 &end
#
#   73 MET  HA           73 MET  ME          5.50    (#   3648:25  Unique         5.10, 5.64 A)
 &rst
  ixpk= 3648, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1167,1168,1169,
 &end
#
#   73 MET  HG-          73 MET  ME          2.80    (#   3649:25  Unique         2.30, 3.50 A)
 &rst
  ixpk= 3649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1163,1164,
 igr2=1167,1168,1169,
 &end
#
#   20 TRP  HA           19 ILE  MG2         5.50    (#   3651:25  Unique         3.09, 4.12 A)
 &rst
  ixpk= 3651, nxpk= 25, iat= 319,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 304, 305, 306,
 &end
#
#   79 ASP  HA           19 ILE  MD1         5.50    (#   3652:25  Unique         5.85, 6.39 A)
 &rst
  ixpk= 3652, nxpk= 25, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 311, 312, 313,
 &end
#
#   62 PRO  HA           19 ILE  MD1         5.50    (#   3653:25  Unique         4.26, 5.10 A)
 &rst
  ixpk= 3653, nxpk= 25, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 311, 312, 313,
 &end
#
#   76 LEU  HA           78 ILE  MD1         5.50    (#   3654:25  Unique         5.96, 6.82 A)
 &rst
  ixpk= 3654, nxpk= 25, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1247,1248,1249,
 &end
#
#    0 AMB  25-2:3655     5 ILE  MD1         5.50    (#   3655:25  Single Ambig)
 &rst
  ixpk= 3655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1469,1022,
 igr2=  80,  81,  82,
 &end
#
#    2 VAL  MGY           2 VAL  HA          2.80    (#   3657:25  Unique         2.23, 3.17 A)
 &rst
  ixpk= 3657, nxpk= 25, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#    0 AMB  25-2:3658     0 AMB  25-1:3658   2.80    (#   3658:25  Double Ambig)
 &rst
  ixpk= 3658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  27,  28,  29,  31,  32,  33, 900, 901, 902, 904,
       905, 906,
 igr2=  25, 999,1000,
 &end
#
#   45 SER  HB+          45 SER  HA          2.80    (#   3659:25  Unique         2.52, 2.79 A)
 &rst
  ixpk= 3659, nxpk= 25, iat=  -1, 724, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 726, 727,
 &end
#
#    0 AMB  25-2:3660     0 AMB  25-1:3660   2.80    (#   3660:25  Double Ambig)
 &rst
  ixpk= 3660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 245, 246, 609, 610, 606, 607,
 igr2= 240, 604,
 &end
#
#   17 VAL  HB           14 GLU  HA          2.80    (#   3661:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 3661, nxpk= 25, iat= 276, 225, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   22 ARG  HB+          22 ARG  HA          2.80    (#   3662:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 3662, nxpk= 25, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 356, 357,
 &end
#
#   38 GLU  HG+          38 GLU  HA          2.80    (#   3663:25  Unique         2.32, 2.98 A)
 &rst
  ixpk= 3663, nxpk= 25, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 609, 610,
 &end
#
#   56 VAL  MGX          56 VAL  HA          3.50    (#   3664:25  Unique         2.23, 3.45 A)
 &rst
  ixpk= 3664, nxpk= 25, iat=  -1, 896, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#   38 GLU  HB-          35 TYR  HA          2.80    (#   3665:25  Unique         2.58, 3.57 A)
 &rst
  ixpk= 3665, nxpk= 25, iat=  -1, 545, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 606, 607,
 &end
#
#   98 MET  HB-          95 ALA  HA          3.50    (#   3666:25  Unique         3.63, 4.47 A)
 &rst
  ixpk= 3666, nxpk= 25, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1530,1531,
 &end
#
#   52 LEU  HG           52 LEU  HA          4.50    (#   3668:25  Unique         3.67, 3.67 A)
 &rst
  ixpk= 3668, nxpk= 25, iat= 832, 827, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 PRO  HA           13 GLY  HA-         2.80    (#   3669:25  Unique         1.94, 2.43 A)
 &rst
  ixpk= 3669, nxpk= 25, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 218, 219,
 &end
#
#   94 HIS  HN           93 GLU  HB-         3.50    (#   3670:25  Unique         2.74, 3.09 A)
 &rst
  ixpk= 3670, nxpk= 25, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1458,1459,
 &end
#
#   38 GLU  HN           37 THR  MG2         3.50    (#   3672:25  Unique         2.56, 3.55 A)
 &rst
  ixpk= 3672, nxpk= 25, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 594, 595, 596,
 &end
#
#   90 VAL  HN           90 VAL  MGY         2.80    (#   3673:25  Unique         1.94, 3.73 A)
 &rst
  ixpk= 3673, nxpk= 25, iat=1403,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#   82 VAL  HN           82 VAL  MGX         2.80    (#   3674:25  Unique         1.94, 3.26 A)
 &rst
  ixpk= 3674, nxpk= 25, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   57 ASN  HN           63 VAL  MGY         3.50    (#   3675:25  Unique         3.22, 4.95 A)
 &rst
  ixpk= 3675, nxpk= 25, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#  114 VAL  HN          114 VAL  MGY         2.80    (#   3676:25  Unique         2.02, 3.76 A)
 &rst
  ixpk= 3676, nxpk= 25, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  105 ASN  HN          104 THR  MG2         4.50    (#   3677:25  Unique         2.69, 3.91 A)
 &rst
  ixpk= 3677, nxpk= 25, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1621,1622,1623,
 &end
#
#  117 TYR  HD            0 AMB  25-1:3679   4.50    (#   3679:25  Single Ambig)
 &rst
  ixpk= 3679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1812,1821,
 igr2=1808,1809,1808,1809,
 &end
#
#  127 ARG  HB+         127 ARG  HD-         3.50    (#   3681:25  Unique         2.38, 3.01 A)
 &rst
  ixpk= 3681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1975,1976,
 igr2=1981,1982,
 &end
#
#  123 LYS  HG-         123 LYS  HE-         3.50    (#   3682:25  Unique         2.11, 3.12 A)
 &rst
  ixpk= 3682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1919,1920,
 igr2=1925,1926,
 &end
#
#    0 AMB  25-2:3683     0 AMB  25-1:3683   2.80    (#   3683:25  Double Ambig)
 &rst
  ixpk= 3683, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1919,1920,1919,1920,
 igr2=1916,1917,1916,1917,
 &end
#
#   82 VAL  MGY          82 VAL  HB          2.80    (#   3685:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 3685, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#  142 LEU  HB-         124 VAL  MGY         2.80    (#   3689:25  Unique         3.00, 5.65 A)
 &rst
  ixpk= 3689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2214,2215,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#   17 VAL  HA           43 VAL  MGY         2.80    (#   3690:25  Unique         2.99, 5.11 A)
 &rst
  ixpk= 3690, nxpk= 25, iat= 274,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#  102 LEU  HA           99 ALA  MB          2.80    (#   3693:25  Unique         3.05, 4.00 A)
 &rst
  ixpk= 3693, nxpk= 25, iat=1584,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1547,1548,1549,
 &end
#
#   71 GLN  HG+          99 ALA  MB          3.50    (#   3694:25  Unique         1.96, 3.36 A)
 &rst
  ixpk= 3694, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1129,1130,
 igr2=1547,1548,1549,
 &end
#
#   82 VAL  MGY           1 MET  ME          2.80    (#   3696:25  Unique         2.02, 5.01 A)
 &rst
  ixpk= 3696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1297,1298,1299,1301,1302,1303,
 igr2=  15,  16,  17,
 &end
#
#   19 ILE  HG1+         19 ILE  MG2         4.50    (#   3697:25  Unique         2.21, 3.31 A)
 &rst
  ixpk= 3697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 308, 309,
 igr2= 304, 305, 306,
 &end
#
#   98 MET  HB-          98 MET  ME          2.80    (#   3698:25  Unique         2.05, 3.35 A)
 &rst
  ixpk= 3698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1530,1531,
 igr2=1537,1538,1539,
 &end
#
#    5 ILE  HG1-          5 ILE  MD1         2.80    (#   3699:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 3699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  77,  78,
 igr2=  80,  81,  82,
 &end
#
#   91 LEU  MDX           5 ILE  MD1         2.80    (#   3700:25  Unique         1.99, 4.54 A)
 &rst
  ixpk= 3700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1428,1429,1430,1432,1433,1434,
 igr2=  80,  81,  82,
 &end
#
#   30 PHE  HD           30 PHE  HB-         3.50    (#   3701:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 3701, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 476, 484,
 igr2= 472, 473,
 &end
#
#   38 GLU  HN           37 THR  HB          2.80    (#   3702:25  Unique         2.43, 2.57 A)
 &rst
  ixpk= 3702, nxpk= 25, iat= 602, 592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 THR  HN          104 THR  HA          2.80    (#   3703:25  Unique         2.93, 2.94 A)
 &rst
  ixpk= 3703, nxpk= 25, iat=1615,1617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  132 ASP  HB-         132 ASP  HA          2.80    (#   3704:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 3704, nxpk= 25, iat=  -1,2051, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2053,2054,
 &end
#
#    0 AMB  25-2:3708    55 ALA  HA          2.80    (#   3708:25  Single Ambig)
 &rst
  ixpk= 3708, nxpk= 25, iat=  -1, 886, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1428,1429,1430,1432,1433,1434,  43,  44,  45,
 &end
#
#   59 ARG  HB+          59 ARG  HD+         2.80    (#   3709:25  Unique         2.17, 3.03 A)
 &rst
  ixpk= 3709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 943, 944,
 igr2= 949, 950,
 &end
#
#    0 AMB  25-2:3713    26 ALA  MB          2.80    (#   3713:25  Single Ambig)
 &rst
  ixpk= 3713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1269,1270,1269,1270,
 igr2= 419, 420, 421,
 &end
#
#   22 ARG  HG+          22 ARG  HA          3.50    (#   3714:25  Unique         2.29, 3.15 A)
 &rst
  ixpk= 3714, nxpk= 25, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 359, 360,
 &end
#
#  117 TYR  HA          120 VAL  MGY         3.50    (#   3715:25  Unique         2.27, 4.69 A)
 &rst
  ixpk= 3715, nxpk= 25, iat=1806,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#    3 ILE  HB            3 ILE  HG1+        3.50    (#   3716:25  Unique         2.42, 2.46 A)
 &rst
  ixpk= 3716, nxpk= 25, iat=  41,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  47,  48,
 &end
#
#    0 AMB  25-2:3717     3 ILE  HB          3.50    (#   3717:25  Single Ambig)
 &rst
  ixpk= 3717, nxpk= 25, iat=  -1,  41, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  50,  51,  52,1362,1363,1364,1366,1367,1368,
 &end
#
#    4 SER  HN            3 ILE  HA          2.80    (#   3718:25  Unique         2.31, 2.32 A)
 &rst
  ixpk= 3718, nxpk= 25, iat=  56,  39, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 ILE  HN            3 ILE  HA          4.50    (#   3719:25  Unique         2.94, 2.94 A)
 &rst
  ixpk= 3719, nxpk= 25, iat=  37,  39, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 SER  HN            3 ILE  MD1         5.50    (#   3720:25  Unique         3.65, 4.65 A)
 &rst
  ixpk= 3720, nxpk= 25, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  50,  51,  52,
 &end
#
#    3 ILE  HN            3 ILE  MD1         5.50    (#   3721:25  Unique         4.16, 4.61 A)
 &rst
  ixpk= 3721, nxpk= 25, iat=  37,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  50,  51,  52,
 &end
#
#    0 AMB  25-2:3722     3 ILE  MG2         2.80    (#   3722:25  Single Ambig)
 &rst
  ixpk= 3722, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=  50,  51,  52,1362,1363,1364,1366,1367,1368,
 igr2=  43,  44,  45,
 &end
#
#    3 ILE  HG1+          3 ILE  MG2         2.80    (#   3723:25  Unique         2.42, 3.51 A)
 &rst
  ixpk= 3723, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  47,  48,
 igr2=  43,  44,  45,
 &end
#
#   91 LEU  HN            5 ILE  MD1         7.00    (#   3724:25  Unique         4.14, 5.09 A)
 &rst
  ixpk= 3724, nxpk= 25, iat=1419,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=  80,  81,  82,
 &end
#
#   90 VAL  HB            5 ILE  MD1         5.50    (#   3725:25  Unique         4.20, 5.01 A)
 &rst
  ixpk= 3725, nxpk= 25, iat=1407,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  80,  81,  82,
 &end
#
#    0 AMB  25-2:3726     6 ARG  HA          4.50    (#   3726:25  Single Ambig)
 &rst
  ixpk= 3726, nxpk= 25, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  96,  97,  96,  97,
 &end
#
#    7 ARG  HN            0 AMB  25-1:3729   5.50    (#   3729:25  Single Ambig)
 &rst
  ixpk= 3729, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  96,  97,  96,  97,
 &end
#
#    6 ARG  HE            6 ARG  HG-         5.50    (#   3730:25  Unique         2.31, 3.06 A)
 &rst
  ixpk= 3730, nxpk= 25, iat=  99,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  93,  94,
 &end
#
#    6 ARG  HA            6 ARG  HG+         7.00    (#   3731:25  Unique         3.56, 3.77 A)
 &rst
  ixpk= 3731, nxpk= 25, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=  93,  94,
 &end
#
#    6 ARG  HA            6 ARG  HG-         7.00    (#   3732:25  Unique         3.56, 3.77 A)
 &rst
  ixpk= 3732, nxpk= 25, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=  93,  94,
 &end
#
#    6 ARG  HG-           6 ARG  HB+         3.50    (#   3733:25  Unique         2.21, 2.71 A)
 &rst
  ixpk= 3733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  93,  94,
 igr2=  90,  91,
 &end
#
#    7 ARG  HG+           7 ARG  HA          2.80    (#   3734:25  Unique         2.64, 3.22 A)
 &rst
  ixpk= 3734, nxpk= 25, iat=  -1, 112, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 117, 118,
 &end
#
#    7 ARG  HG-           7 ARG  HA          2.80    (#   3735:25  Unique         2.64, 3.22 A)
 &rst
  ixpk= 3735, nxpk= 25, iat=  -1, 112, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 117, 118,
 &end
#
#    7 ARG  HA            7 ARG  HB-         3.50    (#   3736:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 3736, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 114, 115,
 &end
#
#    7 ARG  HD-           7 ARG  HG+         2.80    (#   3737:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 3737, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 120, 121,
 igr2= 117, 118,
 &end
#
#    7 ARG  HN            7 ARG  HD-         5.50    (#   3738:25  Unique         4.64, 4.80 A)
 &rst
  ixpk= 3738, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 120, 121,
 &end
#
#    0 AMB  25-2:3739     0 AMB  25-1:3739   7.00    (#   3739:25  Double Ambig)
 &rst
  ixpk= 3739, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 829, 830, 757, 758,
 igr2= 138, 139, 138, 139,
 &end
#
#   52 LEU  MDY           8 SER  HB-         5.50    (#   3740:25  Unique         1.99, 4.61 A)
 &rst
  ixpk= 3740, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 138, 139,
 &end
#
#   52 LEU  MDY           8 SER  HB+         7.00    (#   3741:25  Unique         1.99, 4.61 A)
 &rst
  ixpk= 3741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2= 138, 139,
 &end
#
#    9 ARG  HD-           0 AMB  25-1:3742   2.80    (#   3742:25  Single Ambig)
 &rst
  ixpk= 3742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 155, 156,
 igr2= 152, 153, 152, 153,
 &end
#
#    0 AMB  25-2:3743     0 AMB  25-1:3743   2.80    (#   3743:25  Double Ambig)
 &rst
  ixpk= 3743, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 155, 156, 155, 156,
 igr2= 152, 153, 152, 153,
 &end
#
#    9 ARG  HN            9 ARG  HD+         7.00    (#   3744:25  Unique         4.22, 4.93 A)
 &rst
  ixpk= 3744, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 155, 156,
 &end
#
#    9 ARG  HN            9 ARG  HD-         5.50    (#   3745:25  Unique         4.22, 4.93 A)
 &rst
  ixpk= 3745, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 155, 156,
 &end
#
#   11 GLU  HN           10 HIS  HB+         7.00    (#   3746:25  Unique         3.03, 4.03 A)
 &rst
  ixpk= 3746, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 173, 174,
 &end
#
#   11 GLU  HN           10 HIS  HB-         7.00    (#   3747:25  Unique         3.03, 4.03 A)
 &rst
  ixpk= 3747, nxpk= 25, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 173, 174,
 &end
#
#   12 GLU  HN           10 HIS  HA          7.00    (#   3748:25  Unique         4.51, 4.60 A)
 &rst
  ixpk= 3748, nxpk= 25, iat= 201, 171, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   13 GLY  HN           10 HIS  HA          5.50    (#   3749:25  Unique         4.13, 4.24 A)
 &rst
  ixpk= 3749, nxpk= 25, iat= 216, 171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 GLY  HA-          10 HIS  HA          5.50    (#   3751:25  Unique         4.61, 5.22 A)
 &rst
  ixpk= 3751, nxpk= 25, iat=  -1, 171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 218, 219,
 &end
#
#   12 GLU  HN            9 ARG  HB-         7.00    (#   3752:25  Unique         2.00, 2.65 A)
 &rst
  ixpk= 3752, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 149, 150,
 &end
#
#   12 GLU  HN            9 ARG  HB+         7.00    (#   3753:25  Unique         2.00, 2.65 A)
 &rst
  ixpk= 3753, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 149, 150,
 &end
#
#    9 ARG  HN           12 GLU  HB+         5.50    (#   3754:25  Unique         1.94, 4.26 A)
 &rst
  ixpk= 3754, nxpk= 25, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 205, 206,
 &end
#
#   12 GLU  HN           13 GLY  HA+         5.50    (#   3755:25  Unique         4.77, 4.86 A)
 &rst
  ixpk= 3755, nxpk= 25, iat= 201,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 218, 219,
 &end
#
#   16 LEU  HN           13 GLY  HA+         5.50    (#   3756:25  Unique         3.27, 3.90 A)
 &rst
  ixpk= 3756, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 218, 219,
 &end
#
#    0 AMB  25-2:3758    13 GLY  HA-         5.50    (#   3758:25  Single Ambig)
 &rst
  ixpk= 3758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 776, 777, 149, 150,
 igr2= 218, 219,
 &end
#
#   47 LEU  MDY          13 GLY  HA+         7.00    (#   3759:25  Unique         5.38, 6.78 A)
 &rst
  ixpk= 3759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 762, 763, 764, 766, 767, 768,
 igr2= 218, 219,
 &end
#
#   58 GLU  HN           58 GLU  HG-         4.50    (#   3760:25  Unique         4.29, 4.43 A)
 &rst
  ixpk= 3760, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 931, 932,
 &end
#
#   12 GLU  HA           15 GLU  HG+         5.50    (#   3761:25  Unique         3.48, 4.42 A)
 &rst
  ixpk= 3761, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 245, 246,
 &end
#
#   12 GLU  HA           15 GLU  HG-         7.00    (#   3762:25  Unique         3.48, 4.42 A)
 &rst
  ixpk= 3762, nxpk= 25, iat= 203,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 245, 246,
 &end
#
#    0 AMB  25-2:3763     0 AMB  25-1:3763   5.50    (#   3763:25  Double Ambig)
 &rst
  ixpk= 3763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 245, 246, 245, 246,
 &end
#
#  142 LEU  MDX           0 AMB  25-1:3764   5.50    (#   3764:25  Single Ambig)
 &rst
  ixpk= 3764, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1808,1809,1808,1809,
 &end
#
#    0 AMB  25-2:3765    15 GLU  HG-         5.50    (#   3765:25  Single Ambig)
 &rst
  ixpk= 3765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 245, 246,
 &end
#
#    0 AMB  25-2:3766     0 AMB  25-1:3766   5.50    (#   3766:25  Double Ambig)
 &rst
  ixpk= 3766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2= 242, 243, 242, 243,
 &end
#
#   16 LEU  MDX          15 GLU  HB-         4.50    (#   3767:25  Unique         2.51, 5.23 A)
 &rst
  ixpk= 3767, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 262, 263, 264, 266, 267, 268,
 igr2= 242, 243,
 &end
#
#   17 VAL  HN           16 LEU  HB-         5.50    (#   3768:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 3768, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 257, 258,
 &end
#
#   17 VAL  HN           16 LEU  HB+         3.50    (#   3769:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 3769, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 257, 258,
 &end
#
#    0 AMB  25-2:3771    16 LEU  MDX         5.50    (#   3771:25  Single Ambig)
 &rst
  ixpk= 3771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 884, 317,
 igr2= 262, 263, 264, 266, 267, 268,
 &end
#
#   17 VAL  HN           17 VAL  MGY         3.50    (#   3772:25  Unique         2.01, 3.77 A)
 &rst
  ixpk= 3772, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 278, 279, 280, 282, 283, 284,
 &end
#
#   17 VAL  HA           17 VAL  HB          3.50    (#   3773:25  Unique         3.02, 3.02 A)
 &rst
  ixpk= 3773, nxpk= 25, iat= 274, 276, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3774    18 ALA  HA          5.50    (#   3774:25  Single Ambig)
 &rst
  ixpk= 3774, nxpk= 25, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 276, 302, 643, 644,
 &end
#
#   22 ARG  HD-          19 ILE  HA          7.00    (#   3775:25  Unique         3.21, 4.80 A)
 &rst
  ixpk= 3775, nxpk= 25, iat=  -1, 300, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 362, 363,
 &end
#
#   19 ILE  HB           19 ILE  HG1-        4.50    (#   3779:25  Unique         2.68, 2.84 A)
 &rst
  ixpk= 3779, nxpk= 25, iat= 302,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 308, 309,
 &end
#
#    0 AMB  25-2:3781    20 TRP  HB-         4.50    (#   3781:25  Single Ambig)
 &rst
  ixpk= 3781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 igr2= 321, 322,
 &end
#
#   21 CYS  HN           20 TRP  HA          5.50    (#   3782:25  Unique         3.51, 3.52 A)
 &rst
  ixpk= 3782, nxpk= 25, iat= 341, 319, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 SER  HN           20 TRP  HA          7.00    (#   3783:25  Unique         3.21, 3.52 A)
 &rst
  ixpk= 3783, nxpk= 25, iat= 376, 319, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   18 ALA  HA           21 CYS  HA          5.50    (#   3784:25  Unique         5.47, 5.52 A)
 &rst
  ixpk= 3784, nxpk= 25, iat= 290, 343, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ARG  HN           22 ARG  HB+         5.50    (#   3785:25  Unique         2.18, 2.97 A)
 &rst
  ixpk= 3785, nxpk= 25, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 356, 357,
 &end
#
#   22 ARG  HN           22 ARG  HB-         5.50    (#   3786:25  Unique         2.18, 2.97 A)
 &rst
  ixpk= 3786, nxpk= 25, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 356, 357,
 &end
#
#   22 ARG  HN           22 ARG  HG-         5.50    (#   3787:25  Unique         2.33, 3.15 A)
 &rst
  ixpk= 3787, nxpk= 25, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 359, 360,
 &end
#
#   22 ARG  HD-          22 ARG  HG-         2.80    (#   3788:25  Unique         2.26, 2.61 A)
 &rst
  ixpk= 3788, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 362, 363,
 igr2= 359, 360,
 &end
#
#   22 ARG  HN           22 ARG  HG+         3.50    (#   3789:25  Unique         2.33, 3.15 A)
 &rst
  ixpk= 3789, nxpk= 25, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 359, 360,
 &end
#
#   22 ARG  HA           22 ARG  HG+         3.50    (#   3790:25  Unique         2.29, 3.15 A)
 &rst
  ixpk= 3790, nxpk= 25, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 359, 360,
 &end
#
#   22 ARG  HA           22 ARG  HG-         3.50    (#   3791:25  Unique         2.29, 3.15 A)
 &rst
  ixpk= 3791, nxpk= 25, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 359, 360,
 &end
#
#   30 PHE  HD           30 PHE  HB+         5.50    (#   3792:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 3792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 476, 484,
 igr2= 472, 473,
 &end
#
#   31 LEU  HB+          31 LEU  HA          2.80    (#   3793:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 3793, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 492, 493,
 &end
#
#   35 TYR  HD           31 LEU  MDY         5.50    (#   3794:25  Unique         1.99, 6.07 A)
 &rst
  ixpk= 3794, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 551, 560,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#  109 GLN  HE2-         31 LEU  MDY         7.00    (#   3795:25  Unique         1.96, 4.98 A)
 &rst
  ixpk= 3795, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1700,1701,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   28 HIS  HB+          31 LEU  MDX         5.50    (#   3798:25  Unique         2.00, 5.12 A)
 &rst
  ixpk= 3798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 443, 444,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   36 ARG  HB+          31 LEU  MDY         5.50    (#   3800:25  Unique         3.20, 6.22 A)
 &rst
  ixpk= 3800, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 568, 569,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HB+          31 LEU  MDY         2.80    (#   3801:25  Unique         2.00, 3.24 A)
 &rst
  ixpk= 3801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 492, 493,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#    1 MET  HB-           1 MET  HA          3.50    (#   3802:25  Unique         2.37, 2.67 A)
 &rst
  ixpk= 3802, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=   8,   9,
 &end
#
#    3 ILE  HG1+          1 MET  HG+         7.00    (#   3803:25  Unique         2.97, 4.62 A)
 &rst
  ixpk= 3803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=  47,  48,
 igr2=  11,  12,
 &end
#
#    3 ILE  HG1-          1 MET  HG+         7.00    (#   3804:25  Unique         2.97, 4.62 A)
 &rst
  ixpk= 3804, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=  47,  48,
 igr2=  11,  12,
 &end
#
#   36 ARG  HN           33 ALA  MB          7.00    (#   3805:25  Unique         4.79, 5.37 A)
 &rst
  ixpk= 3805, nxpk= 25, iat= 564,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 522, 523, 524,
 &end
#
#    0 AMB  25-2:3806    34 GLU  HA          3.50    (#   3806:25  Single Ambig)
 &rst
  ixpk= 3806, nxpk= 25, iat=  -1, 530, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 588, 543,
 &end
#
#    0 AMB  25-2:3807     0 AMB  25-1:3807   2.80    (#   3807:25  Double Ambig)
 &rst
  ixpk= 3807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 577, 543,1469, 588,
 igr2= 568, 569, 532, 533,1458,1459,
 &end
#
#   38 GLU  HN           37 THR  HA          4.50    (#   3814:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 3814, nxpk= 25, iat= 602, 590, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASP  HN           37 THR  MG2         7.00    (#   3815:25  Unique         4.37, 5.39 A)
 &rst
  ixpk= 3815, nxpk= 25, iat= 651,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 594, 595, 596,
 &end
#
#   76 LEU  HA           91 LEU  MDX         7.00    (#   3816:25  Unique         4.61, 6.08 A)
 &rst
  ixpk= 3816, nxpk= 25, iat=1197,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   66 MET  HN           91 LEU  MDX         7.00    (#   3817:25  Unique         3.18, 4.60 A)
 &rst
  ixpk= 3817, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   40 GLU  HN           39 LEU  MDY         7.00    (#   3818:25  Unique         4.15, 5.53 A)
 &rst
  ixpk= 3818, nxpk= 25, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 626, 627, 628, 630, 631, 632,
 &end
#
#   19 ILE  MD1          16 LEU  HA          2.80    (#   3819:25  Unique         2.00, 2.76 A)
 &rst
  ixpk= 3819, nxpk= 25, iat=  -1, 255, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 311, 312, 313,
 &end
#
#   42 LEU  MDY          42 LEU  HG          2.80    (#   3820:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 3820, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 672, 673, 674, 676, 677, 678,
 &end
#
#  139 LEU  HB-           0 AMB  25-1:3821   2.80    (#   3821:25  Single Ambig)
 &rst
  ixpk= 3821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2162,2163,
 igr2=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  25-2:3822    43 VAL  MGY         5.50    (#   3822:25  Single Ambig)
 &rst
  ixpk= 3822, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 722,1224,1228,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:3825    43 VAL  MGY         7.00    (#   3825:25  Single Ambig)
 &rst
  ixpk= 3825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.61, r4=14.36,
 igr1= 276, 643, 644, 643, 644, 640, 641, 640, 641,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   46 PHE  HN           43 VAL  MGY         7.00    (#   3826:25  Unique         4.47, 5.98 A)
 &rst
  ixpk= 3826, nxpk= 25, iat= 733,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  25-2:3827    43 VAL  MGY         7.00    (#   3827:25  Single Ambig)
 &rst
  ixpk= 3827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 663, 651,
 igr2= 688, 689, 690, 692, 693, 694,
 &end
#
#   44 ARG  HA           43 VAL  HB          7.00    (#   3828:25  Unique         4.27, 4.30 A)
 &rst
  ixpk= 3828, nxpk= 25, iat= 700, 686, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   42 LEU  HG           43 VAL  HA          5.50    (#   3829:25  Unique         3.63, 3.64 A)
 &rst
  ixpk= 3829, nxpk= 25, iat= 670, 684, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 PHE  HN           44 ARG  HA          5.50    (#   3830:25  Unique         3.71, 3.72 A)
 &rst
  ixpk= 3830, nxpk= 25, iat= 733, 700, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3831    44 ARG  HA          4.50    (#   3831:25  Single Ambig)
 &rst
  ixpk= 3831, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 753, 682,
 &end
#
#   44 ARG  HE           44 ARG  HB-         4.50    (#   3832:25  Unique         2.22, 3.96 A)
 &rst
  ixpk= 3832, nxpk= 25, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 702, 703,
 &end
#
#   44 ARG  HN           44 ARG  HB-         3.50    (#   3833:25  Unique         2.08, 2.72 A)
 &rst
  ixpk= 3833, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 702, 703,
 &end
#
#   46 PHE  HD           46 PHE  HA          4.50    (#   3836:25  Unique         2.80, 3.35 A)
 &rst
  ixpk= 3836, nxpk= 25, iat=  -1, 735, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 741, 749,
 &end
#
#    0 AMB  25-2:3837     0 AMB  25-1:3837   2.80    (#   3837:25  Double Ambig)
 &rst
  ixpk= 3837, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1342,1343, 737, 738,
 igr2=1340, 735,
 &end
#
#   47 LEU  MDY          47 LEU  HB+         2.80    (#   3838:25  Unique         2.34, 3.29 A)
 &rst
  ixpk= 3838, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 762, 763, 764, 766, 767, 768,
 igr2= 757, 758,
 &end
#
#   24 VAL  MGX          31 LEU  MDY         4.50    (#   3839:25  Unique         2.00, 5.06 A)
 &rst
  ixpk= 3839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 393, 394, 395, 397, 398, 399,
 igr2= 497, 498, 499, 501, 502, 503,
 &end
#
#   20 TRP  HB-          47 LEU  MDX         7.00    (#   3840:25  Unique         2.59, 4.53 A)
 &rst
  ixpk= 3840, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 321, 322,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   16 LEU  HB-          47 LEU  MDX         3.50    (#   3841:25  Unique         2.58, 4.17 A)
 &rst
  ixpk= 3841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 257, 258,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   16 LEU  HA           47 LEU  MDX         5.50    (#   3842:25  Unique         4.23, 5.79 A)
 &rst
  ixpk= 3842, nxpk= 25, iat= 255,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  25-2:3843    47 LEU  MDX         4.50    (#   3843:25  Single Ambig)
 &rst
  ixpk= 3843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1039,1043,1037,1045,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   17 VAL  HN           47 LEU  MDX         5.50    (#   3845:25  Unique         3.26, 5.01 A)
 &rst
  ixpk= 3845, nxpk= 25, iat= 272,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 762, 763, 764, 766, 767, 768,
 &end
#
#   47 LEU  HA            0 AMB  25-1:3846   4.50    (#   3846:25  Single Ambig)
 &rst
  ixpk= 3846, nxpk= 25, iat= 755,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 760, 832,
 &end
#
#   47 LEU  HB-          47 LEU  HG          2.80    (#   3847:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 3847, nxpk= 25, iat=  -1, 760, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 757, 758,
 &end
#
#    0 AMB  25-2:3848    48 PRO  HA          7.00    (#   3848:25  Single Ambig)
 &rst
  ixpk= 3848, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#   52 LEU  MDY          48 PRO  HA          7.00    (#   3849:25  Unique         5.47, 6.66 A)
 &rst
  ixpk= 3849, nxpk= 25, iat=  -1, 782, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   48 PRO  HA           48 PRO  HD-         7.00    (#   3850:25  Unique         3.60, 3.85 A)
 &rst
  ixpk= 3850, nxpk= 25, iat= 782,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 773, 774,
 &end
#
#   51 PRO  HD-          51 PRO  HB-         5.50    (#   3851:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3851, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 812, 813,
 igr2= 818, 819,
 &end
#
#   51 PRO  HD+          51 PRO  HB-         3.50    (#   3852:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3852, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 812, 813,
 igr2= 818, 819,
 &end
#
#   52 LEU  HG           52 LEU  MDY         2.80    (#   3854:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 3854, nxpk= 25, iat= 832,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   53 TRP  HN           52 LEU  HB+         5.50    (#   3857:25  Unique         1.97, 2.76 A)
 &rst
  ixpk= 3857, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 829, 830,
 &end
#
#   52 LEU  HA           52 LEU  HG          5.50    (#   3858:25  Unique         3.67, 3.67 A)
 &rst
  ixpk= 3858, nxpk= 25, iat= 827, 832, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 LEU  MDX          52 LEU  HG          3.50    (#   3859:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 3859, nxpk= 25, iat=  -1, 832, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   66 MET  HN           52 LEU  MDX         7.00    (#   3860:25  Unique         2.88, 4.55 A)
 &rst
  ixpk= 3860, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#    0 AMB  25-2:3861    68 LEU  MDX         5.50    (#   3861:25  Single Ambig)
 &rst
  ixpk= 3861, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1122,1601,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   74 ASP  HN           68 LEU  MDX         5.50    (#   3862:25  Unique         3.81, 6.30 A)
 &rst
  ixpk= 3862, nxpk= 25, iat=1173,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:3863     0 AMB  25-1:3863   7.00    (#   3863:25  Double Ambig)
 &rst
  ixpk= 3863, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 801,1515,
 igr2= 834, 835, 836, 838, 839, 840,1094,1095,1096,1098,
      1099,1100,
 &end
#
#   47 LEU  HA           52 LEU  MDY         5.50    (#   3865:25  Unique         2.59, 4.64 A)
 &rst
  ixpk= 3865, nxpk= 25, iat= 755,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   50 ALA  HN           52 LEU  MDY         5.50    (#   3866:25  Unique         4.17, 5.71 A)
 &rst
  ixpk= 3866, nxpk= 25, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   53 TRP  HN           52 LEU  MDY         5.50    (#   3867:25  Unique         2.81, 4.52 A)
 &rst
  ixpk= 3867, nxpk= 25, iat= 844,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   54 VAL  HN           53 TRP  HB+         5.50    (#   3868:25  Unique         2.31, 2.88 A)
 &rst
  ixpk= 3868, nxpk= 25, iat= 868,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 848, 849,
 &end
#
#    6 ARG  HE           54 VAL  MGX         5.50    (#   3872:25  Unique         3.19, 5.08 A)
 &rst
  ixpk= 3872, nxpk= 25, iat=  99,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    7 ARG  HA           54 VAL  MGX         7.00    (#   3873:25  Unique         3.56, 5.27 A)
 &rst
  ixpk= 3873, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   65 PHE  HB+          54 VAL  MGX         5.50    (#   3874:25  Unique         3.06, 5.37 A)
 &rst
  ixpk= 3874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1033,1034,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   56 VAL  HA           54 VAL  MGY         5.50    (#   3876:25  Unique         5.95, 7.10 A)
 &rst
  ixpk= 3876, nxpk= 25, iat= 896,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   53 TRP  HA           54 VAL  MGY         5.50    (#   3877:25  Unique         3.27, 4.78 A)
 &rst
  ixpk= 3877, nxpk= 25, iat= 846,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  25-2:3878    54 VAL  MGY         5.50    (#   3878:25  Single Ambig)
 &rst
  ixpk= 3878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 255, 993, 994,
 igr2= 874, 875, 876, 878, 879, 880,
 &end
#
#   81 ASP  HN           82 VAL  MGY         5.50    (#   3880:25  Unique         3.74, 5.50 A)
 &rst
  ixpk= 3880, nxpk= 25, iat=1279,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#   81 ASP  HB+          82 VAL  MGY         4.50    (#   3881:25  Unique         2.98, 4.93 A)
 &rst
  ixpk= 3881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1283,1284,
 igr2=1297,1298,1299,1301,1302,1303,
 &end
#
#  130 VAL  HN          130 VAL  HB          4.50    (#   3883:25  Unique         3.60, 3.61 A)
 &rst
  ixpk= 3883, nxpk= 25, iat=2021,2025, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 VAL  HN           56 VAL  HA          2.80    (#   3884:25  Unique         2.89, 2.91 A)
 &rst
  ixpk= 3884, nxpk= 25, iat=1006, 896, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 GLN  HN           56 VAL  MGX         7.00    (#   3885:25  Unique         3.93, 4.93 A)
 &rst
  ixpk= 3885, nxpk= 25, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#    4 SER  HB-          56 VAL  MGX         2.80    (#   3886:25  Unique         2.42, 5.30 A)
 &rst
  ixpk= 3886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  60,  61,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   55 ALA  HN           56 VAL  MGY         7.00    (#   3887:25  Unique         4.99, 6.16 A)
 &rst
  ixpk= 3887, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   62 PRO  HD-          56 VAL  MGY         7.00    (#   3888:25  Unique         3.29, 5.88 A)
 &rst
  ixpk= 3888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 993, 994,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   57 ASN  HD2-         57 ASN  HB+         5.50    (#   3892:25  Unique         2.20, 3.36 A)
 &rst
  ixpk= 3892, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 919, 920,
 igr2= 914, 915,
 &end
#
#   59 ARG  HN            0 AMB  25-1:3893   4.50    (#   3893:25  Single Ambig)
 &rst
  ixpk= 3893, nxpk= 25, iat= 939,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 928, 929, 928, 929,
 &end
#
#   58 GLU  HA           58 GLU  HG+         2.80    (#   3894:25  Unique         2.24, 2.76 A)
 &rst
  ixpk= 3894, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 931, 932,
 &end
#
#   71 GLN  HE2-        101 GLU  HB+         4.50    (#   3895:25  Unique         2.59, 4.34 A)
 &rst
  ixpk= 3895, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1134,1135,
 igr2=1571,1572,
 &end
#
#   59 ARG  HB+          59 ARG  HA          2.80    (#   3896:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 3896, nxpk= 25, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 943, 944,
 &end
#
#   59 ARG  HA           59 ARG  HD-         4.50    (#   3898:25  Unique         2.33, 3.83 A)
 &rst
  ixpk= 3898, nxpk= 25, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 949, 950,
 &end
#
#   68 LEU  HA           68 LEU  HG          4.50    (#   3899:25  Unique         2.88, 2.96 A)
 &rst
  ixpk= 3899, nxpk= 25, iat=1087,1092, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ASP  HB-          60 ASP  HA          2.80    (#   3901:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 3901, nxpk= 25, iat=  -1, 965, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 967, 968,
 &end
#
#   61 GLN  HN           60 ASP  HB+         7.00    (#   3902:25  Unique         4.18, 4.36 A)
 &rst
  ixpk= 3902, nxpk= 25, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 967, 968,
 &end
#
#   61 GLN  HN           60 ASP  HB-         5.50    (#   3903:25  Unique         4.18, 4.36 A)
 &rst
  ixpk= 3903, nxpk= 25, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 967, 968,
 &end
#
#    0 AMB  25-2:3904    63 VAL  HB          7.00    (#   3904:25  Single Ambig)
 &rst
  ixpk= 3904, nxpk= 25, iat=  -1,1010, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1022, 919, 920,
 &end
#
#   82 VAL  MGX          63 VAL  HB          2.80    (#   3905:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 3905, nxpk= 25, iat=  -1,1010, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   55 ALA  HN           63 VAL  MGX         5.50    (#   3906:25  Unique         4.04, 6.63 A)
 &rst
  ixpk= 3906, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  25-2:3907     0 AMB  25-1:3907   5.50    (#   3907:25  Double Ambig)
 &rst
  ixpk= 3907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1037,1045,1039,1043,
 igr2=1024,1025,1024,1025,
 &end
#
#    0 AMB  25-2:3908     0 AMB  25-1:3908   4.50    (#   3908:25  Double Ambig)
 &rst
  ixpk= 3908, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 870,1068,
 igr2=1033,1034,1033,1034,
 &end
#
#   52 LEU  MDY          65 PHE  HB+         5.50    (#   3909:25  Unique         1.98, 3.61 A)
 &rst
  ixpk= 3909, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 834, 835, 836, 838, 839, 840,
 igr2=1033,1034,
 &end
#
#    0 AMB  25-2:3910    65 PHE  HB-         5.50    (#   3910:25  Single Ambig)
 &rst
  ixpk= 3910, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 igr2=1033,1034,
 &end
#
#   56 VAL  MGY           0 AMB  25-1:3911   5.50    (#   3911:25  Single Ambig)
 &rst
  ixpk= 3911, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 900, 901, 902, 904, 905, 906,
 igr2=  96,  97,  96,  97,
 &end
#
#   76 LEU  HB+          66 MET  HG+         5.50    (#   3914:25  Unique         3.45, 4.96 A)
 &rst
  ixpk= 3914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1199,1200,
 igr2=1056,1057,
 &end
#
#   76 LEU  HB+          66 MET  HG-         5.50    (#   3915:25  Unique         3.45, 4.96 A)
 &rst
  ixpk= 3915, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1199,1200,
 igr2=1056,1057,
 &end
#
#   66 MET  HN           66 MET  ME          5.50    (#   3916:25  Unique         5.28, 5.91 A)
 &rst
  ixpk= 3916, nxpk= 25, iat=1049,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1060,1061,1062,
 &end
#
#   94 HIS  HA           66 MET  ME          7.00    (#   3917:25  Unique         4.65, 5.01 A)
 &rst
  ixpk= 3917, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1060,1061,1062,
 &end
#
#   94 HIS  HB+          66 MET  ME          2.80    (#   3918:25  Unique         1.98, 3.20 A)
 &rst
  ixpk= 3918, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1473,1474,
 igr2=1060,1061,1062,
 &end
#
#   66 MET  HB-          66 MET  ME          3.50    (#   3919:25  Unique         2.82, 3.85 A)
 &rst
  ixpk= 3919, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1053,1054,
 igr2=1060,1061,1062,
 &end
#
#   67 LEU  HN           67 LEU  HA          4.50    (#   3920:25  Unique         2.92, 2.93 A)
 &rst
  ixpk= 3920, nxpk= 25, iat=1066,1068, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 ASP  HA           22 ARG  HG-         4.50    (#   3921:25  Unique         2.78, 4.93 A)
 &rst
  ixpk= 3921, nxpk= 25, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 359, 360,
 &end
#
#   61 GLN  HN           60 ASP  HA          2.80    (#   3922:25  Unique         2.81, 2.82 A)
 &rst
  ixpk= 3922, nxpk= 25, iat= 975, 965, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:3923    62 PRO  HG-         3.50    (#   3923:25  Single Ambig)
 &rst
  ixpk= 3923, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.10, r4= 6.85,
 igr1= 874, 875, 876, 878, 879, 880,1012,1013,1014,1016,
      1017,1018, 308, 309,
 igr2= 996, 997,
 &end
#
#    0 AMB  25-2:3924    67 LEU  HG          2.80    (#   3924:25  Single Ambig)
 &rst
  ixpk= 3924, nxpk= 25, iat=  -1,1073, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#   67 LEU  HA           67 LEU  HG          5.50    (#   3925:25  Unique         2.53, 3.08 A)
 &rst
  ixpk= 3925, nxpk= 25, iat=1068,1073, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 MET  HG-          66 MET  HB+         3.50    (#   3927:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 3927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1056,1057,
 igr2=1053,1054,
 &end
#
#    0 AMB  25-2:3928     0 AMB  25-1:3928   2.80    (#   3928:25  Double Ambig)
 &rst
  ixpk= 3928, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1=1423,1424,1060,1061,1062,
 igr2=1053,1054,1053,1054,
 &end
#
#    0 AMB  25-2:3929    66 MET  HB-         2.80    (#   3929:25  Single Ambig)
 &rst
  ixpk= 3929, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1423,1424,1060,1061,1062,
 igr2=1053,1054,
 &end
#
#   94 HIS  HB-          66 MET  HG-         3.50    (#   3930:25  Unique         3.78, 5.02 A)
 &rst
  ixpk= 3930, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1473,1474,
 igr2=1056,1057,
 &end
#
#   94 HIS  HB-          66 MET  HG+         3.50    (#   3931:25  Unique         3.78, 5.02 A)
 &rst
  ixpk= 3931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1473,1474,
 igr2=1056,1057,
 &end
#
#   67 LEU  HG           67 LEU  HA          3.50    (#   3934:25  Unique         2.53, 3.08 A)
 &rst
  ixpk= 3934, nxpk= 25, iat=1073,1068, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 LEU  HN           67 LEU  HB-         5.50    (#   3935:25  Unique         2.33, 2.68 A)
 &rst
  ixpk= 3935, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1070,1071,
 &end
#
#   67 LEU  HB-          67 LEU  HG          3.50    (#   3936:25  Unique         2.32, 2.69 A)
 &rst
  ixpk= 3936, nxpk= 25, iat=  -1,1073, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1070,1071,
 &end
#
#    0 AMB  25-2:3937    67 LEU  HG          5.50    (#   3937:25  Single Ambig)
 &rst
  ixpk= 3937, nxpk= 25, iat=  -1,1073, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1085,1104,
 &end
#
#   67 LEU  HN           67 LEU  HG          7.00    (#   3938:25  Unique         4.26, 4.38 A)
 &rst
  ixpk= 3938, nxpk= 25, iat=1066,1073, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  25-2:3939    67 LEU  MDX         2.80    (#   3939:25  Single Ambig)
 &rst
  ixpk= 3939, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 815, 816, 815, 816, 818, 819,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   67 LEU  HB+          67 LEU  MDX         2.80    (#   3940:25  Unique         2.23, 3.31 A)
 &rst
  ixpk= 3940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1070,1071,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   74 ASP  HB-          67 LEU  MDX         7.00    (#   3941:25  Unique         1.99, 3.55 A)
 &rst
  ixpk= 3941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1177,1178,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#    0 AMB  25-2:3942    67 LEU  MDX         5.50    (#   3942:25  Single Ambig)
 &rst
  ixpk= 3942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1106,1197,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   67 LEU  HA           67 LEU  MDY         5.50    (#   3943:25  Unique         1.99, 3.78 A)
 &rst
  ixpk= 3943, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#    0 AMB  25-2:3944    67 LEU  MDY         5.50    (#   3944:25  Single Ambig)
 &rst
  ixpk= 3944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1106,1197,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   46 PHE  HD           67 LEU  MDY         5.50    (#   3945:25  Unique         3.93, 7.61 A)
 &rst
  ixpk= 3945, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 741, 749,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   72 HIS  HD2          67 LEU  MDY         4.50    (#   3946:25  Unique         4.81, 6.40 A)
 &rst
  ixpk= 3946, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   75 ALA  HN           67 LEU  MDY         7.00    (#   3947:25  Unique         3.27, 4.86 A)
 &rst
  ixpk= 3947, nxpk= 25, iat=1185,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1075,1076,1077,1079,1080,1081,
 &end
#
#   68 LEU  MDX          68 LEU  HG          2.80    (#   3948:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 3948, nxpk= 25, iat=  -1,1092, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   53 TRP  HE1          68 LEU  MDY         5.50    (#   3950:25  Unique         4.99, 6.79 A)
 &rst
  ixpk= 3950, nxpk= 25, iat= 854,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   69 SER  HN           68 LEU  MDY         4.50    (#   3951:25  Unique         3.12, 4.75 A)
 &rst
  ixpk= 3951, nxpk= 25, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   72 HIS  HN           68 LEU  MDY         7.00    (#   3952:25  Unique         1.94, 4.01 A)
 &rst
  ixpk= 3952, nxpk= 25, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  25-2:3953     0 AMB  25-1:3953   7.00    (#   3953:25  Double Ambig)
 &rst
  ixpk= 3953, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
 igr1=1526,1222,1230,
 igr2=1094,1095,1096,1098,1099,1100,1204,1205,1206,1208,
      1209,1210,
 &end
#
#  139 LEU  HA            0 AMB  25-1:3954   4.50    (#   3954:25  Single Ambig)
 &rst
  ixpk= 3954, nxpk= 25, iat=2160,  -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr2=2165,2186,2187,2188,2190,2191,2192,
 &end
#
#    0 AMB  25-2:3955     0 AMB  25-1:3955   5.50    (#   3955:25  Double Ambig)
 &rst
  ixpk= 3955, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1087, 912,1141,
 igr2=1108,1109,  23,1108,1109,
 &end
#
#    0 AMB  25-2:3956     0 AMB  25-1:3956   5.50    (#   3956:25  Double Ambig)
 &rst
  ixpk= 3956, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1139,1543,
 igr2=1129,1130,1129,1130,
 &end
#
#   69 SER  HN           72 HIS  HB+         7.00    (#   3958:25  Unique         2.70, 4.50 A)
 &rst
  ixpk= 3958, nxpk= 25, iat=1104,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1143,1144,
 &end
#
#   73 MET  HN           72 HIS  HB+         7.00    (#   3959:25  Unique         3.19, 4.18 A)
 &rst
  ixpk= 3959, nxpk= 25, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1143,1144,
 &end
#
#   73 MET  HA           73 MET  HB-         4.50    (#   3961:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 3961, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1160,1161,
 &end
#
#   73 MET  HA           73 MET  HB+         5.50    (#   3962:25  Unique         2.44, 2.80 A)
 &rst
  ixpk= 3962, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1160,1161,
 &end
#
#   73 MET  HA           73 MET  HG+         5.50    (#   3963:25  Unique         2.10, 2.82 A)
 &rst
  ixpk= 3963, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1163,1164,
 &end
#
#   73 MET  HA           73 MET  HG-         4.50    (#   3964:25  Unique         2.10, 2.82 A)
 &rst
  ixpk= 3964, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1163,1164,
 &end
#
#   67 LEU  HN           73 MET  HG+         7.00    (#   3965:25  Unique         3.76, 4.55 A)
 &rst
  ixpk= 3965, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1163,1164,
 &end
#
#    0 AMB  25-2:3969     0 AMB  25-1:3969   2.80    (#   3969:25  Double Ambig)
 &rst
  ixpk= 3969, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 365,1253,1173,
 igr2=1257,1258,1257,1258,1177,1178,
 &end
#
#   73 MET  HA           74 ASP  HB+         7.00    (#   3970:25  Unique         4.19, 4.81 A)
 &rst
  ixpk= 3970, nxpk= 25, iat=1158,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1177,1178,
 &end
#
#   67 LEU  HB-          74 ASP  HB-         2.80    (#   3972:25  Unique         1.96, 3.70 A)
 &rst
  ixpk= 3972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1070,1071,
 igr2=1177,1178,
 &end
#
#   67 LEU  HA           75 ALA  MB          5.50    (#   3974:25  Unique         5.82, 6.85 A)
 &rst
  ixpk= 3974, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1189,1190,1191,
 &end
#
#   77 PHE  HN           76 LEU  HG          5.50    (#   3975:25  Unique         3.93, 4.00 A)
 &rst
  ixpk= 3975, nxpk= 25, iat=1214,1202, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  HG1-         76 LEU  MDX         3.50    (#   3976:25  Unique         2.41, 4.97 A)
 &rst
  ixpk= 3976, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1244,1245,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:3977    76 LEU  MDX         4.50    (#   3977:25  Single Ambig)
 &rst
  ixpk= 3977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1426,1218,1219,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:3978    76 LEU  MDX         5.50    (#   3978:25  Single Ambig)
 &rst
  ixpk= 3978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1195,1403,
 igr2=1204,1205,1206,1208,1209,1210,
 &end
#
#    0 AMB  25-2:3979     0 AMB  25-1:3979   4.50    (#   3979:25  Double Ambig)
 &rst
  ixpk= 3979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=2158,2196,
 igr2=2186,2187,2188,2190,2191,2192,2165,
 &end
#
#   78 ILE  HG1+         77 PHE  HA          4.50    (#   3983:25  Unique         3.25, 3.83 A)
 &rst
  ixpk= 3983, nxpk= 25, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1244,1245,
 &end
#
#   78 ILE  HG1+         78 ILE  HA          2.80    (#   3984:25  Unique         2.64, 2.97 A)
 &rst
  ixpk= 3984, nxpk= 25, iat=  -1,1236, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1244,1245,
 &end
#
#   65 PHE  HN           77 PHE  HB+         5.50    (#   3986:25  Unique         4.30, 4.82 A)
 &rst
  ixpk= 3986, nxpk= 25, iat=1029,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1218,1219,
 &end
#
#   78 ILE  HN           78 ILE  HA          3.50    (#   3987:25  Unique         2.92, 2.93 A)
 &rst
  ixpk= 3987, nxpk= 25, iat=1234,1236, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ILE  HN           78 ILE  HB          4.50    (#   3989:25  Unique         2.95, 2.97 A)
 &rst
  ixpk= 3989, nxpk= 25, iat=1234,1238, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ILE  HB           78 ILE  HG1-        3.50    (#   3990:25  Unique         2.41, 2.73 A)
 &rst
  ixpk= 3990, nxpk= 25, iat=1238,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1244,1245,
 &end
#
#    5 ILE  MD1           5 ILE  HG1+        2.80    (#   3991:25  Unique         2.20, 2.62 A)
 &rst
  ixpk= 3991, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  80,  81,  82,
 igr2=  77,  78,
 &end
#
#    7 ARG  HB-           7 ARG  HG-         2.80    (#   3992:25  Unique         2.22, 2.65 A)
 &rst
  ixpk= 3992, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 114, 115,
 igr2= 117, 118,
 &end
#
#   64 GLY  HA+          78 ILE  MD1         4.50    (#   3993:25  Unique         3.61, 5.19 A)
 &rst
  ixpk= 3993, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1024,1025,
 igr2=1247,1248,1249,
 &end
#
#    0 AMB  25-2:3994    78 ILE  MD1         3.50    (#   3994:25  Single Ambig)
 &rst
  ixpk= 3994, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1=1202,1444,1445,1446,1448,1449,1450,
 igr2=1247,1248,1249,
 &end
#
#   78 ILE  HG1+         78 ILE  MD1         2.80    (#   3995:25  Unique         2.22, 2.62 A)
 &rst
  ixpk= 3995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1244,1245,
 igr2=1247,1248,1249,
 &end
#
#   78 ILE  HN           78 ILE  MG2         7.00    (#   3996:25  Unique         4.58, 4.81 A)
 &rst
  ixpk= 3996, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1240,1241,1242,
 &end
#
#    0 AMB  25-2:3997    78 ILE  MG2         7.00    (#   3997:25  Single Ambig)
 &rst
  ixpk= 3997, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1372, 884,
 igr2=1240,1241,1242,
 &end
#
#   79 ASP  HA           79 ASP  HB+         2.80    (#   3999:25  Unique         2.27, 2.78 A)
 &rst
  ixpk= 3999, nxpk= 25, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1257,1258,
 &end
#
#   81 ASP  HN           80 PRO  HA          7.00    (#   4000:25  Unique         3.45, 3.50 A)
 &rst
  ixpk= 4000, nxpk= 25, iat=1279,1275, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   81 ASP  HN           80 PRO  HB-         5.50    (#   4002:25  Unique         3.11, 3.80 A)
 &rst
  ixpk= 4002, nxpk= 25, iat=1279,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1272,1273,
 &end
#
#   80 PRO  HD-          80 PRO  HB-         4.50    (#   4003:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 4003, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1266,1267,
 igr2=1272,1273,
 &end
#
#    0 AMB  25-2:4004     0 AMB  25-1:4004   2.80    (#   4004:25  Double Ambig)
 &rst
  ixpk= 4004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 218, 219,1519,1520,1519,1520,
 igr2= 779, 780,1533,1534,1533,1534,
 &end
#
#   80 PRO  HD-          80 PRO  HB+         3.50    (#   4005:25  Unique         2.98, 3.70 A)
 &rst
  ixpk= 4005, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1266,1267,
 igr2=1272,1273,
 &end
#
#   26 ALA  MB           80 PRO  HB+         2.80    (#   4006:25  Unique         2.09, 3.72 A)
 &rst
  ixpk= 4006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 419, 420, 421,
 igr2=1272,1273,
 &end
#
#   26 ALA  MB           80 PRO  HB-         3.50    (#   4007:25  Unique         2.09, 3.72 A)
 &rst
  ixpk= 4007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 419, 420, 421,
 igr2=1272,1273,
 &end
#
#    0 AMB  25-2:4008     0 AMB  25-1:4008   2.80    (#   4008:25  Double Ambig)
 &rst
  ixpk= 4008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=2145,2146,1266,1267,
 igr2=2148,2149,1269,1270,1269,1270,
 &end
#
#    0 AMB  25-2:4009     0 AMB  25-1:4009   2.80    (#   4009:25  Double Ambig)
 &rst
  ixpk= 4009, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 419, 420, 421, 359, 360,
 igr2=1269,1270,1269,1270,1269,1270,
 &end
#
#  142 LEU  HB-         122 PHE  HB-         5.50    (#   4011:25  Unique         2.15, 3.12 A)
 &rst
  ixpk= 4011, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2214,2215,
 igr2=1896,1897,
 &end
#
#   37 THR  MG2          41 ASP  HB-         5.50    (#   4012:25  Unique         3.81, 5.78 A)
 &rst
  ixpk= 4012, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 594, 595, 596,
 igr2= 655, 656,
 &end
#
#    0 AMB  25-2:4013     0 AMB  25-1:4013   3.50    (#   4013:25  Double Ambig)
 &rst
  ixpk= 4013, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.85, r4= 7.60,
 igr1=1297,1298,1299,1301,1302,1303,2070,2071,2072,2074,
      2075,2076,2094,2095,
 igr2=1283,1284,2053,2054,
 &end
#
#   81 ASP  HN           81 ASP  HB+         2.80    (#   4014:25  Unique         2.07, 2.67 A)
 &rst
  ixpk= 4014, nxpk= 25, iat=1279,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1283,1284,
 &end
#
#   81 ASP  HA           81 ASP  HB-         2.80    (#   4015:25  Unique         2.56, 2.83 A)
 &rst
  ixpk= 4015, nxpk= 25, iat=1281,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1283,1284,
 &end
#
#   80 PRO  HA            0 AMB  25-1:4019   2.80    (#   4019:25  Single Ambig)
 &rst
  ixpk= 4019, nxpk= 25, iat=1275,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1311,1312,1311,1312,
 &end
#
#   83 ARG  HN           83 ARG  HB+         4.50    (#   4021:25  Unique         2.06, 2.60 A)
 &rst
  ixpk= 4021, nxpk= 25, iat=1307,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1311,1312,
 &end
#
#   83 ARG  HN           83 ARG  HB-         4.50    (#   4022:25  Unique         2.06, 2.60 A)
 &rst
  ixpk= 4022, nxpk= 25, iat=1307,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1311,1312,
 &end
#
#    3 ILE  HG1-         87 VAL  MGY         4.50    (#   4024:25  Unique         2.52, 5.68 A)
 &rst
  ixpk= 4024, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  47,  48,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   91 LEU  HB-          87 VAL  MGY         3.50    (#   4025:25  Unique         3.51, 6.74 A)
 &rst
  ixpk= 4025, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1423,1424,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  25-2:4026    87 VAL  MGY         4.50    (#   4026:25  Single Ambig)
 &rst
  ixpk= 4026, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1407,  15,  16,  17,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  25-2:4027    87 VAL  MGY         7.00    (#   4027:25  Single Ambig)
 &rst
  ixpk= 4027, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.34, r4=13.09,
 igr1=1010,1257,1258,  11,  12,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   64 GLY  HN           87 VAL  MGY         7.00    (#   4028:25  Unique         4.79, 7.03 A)
 &rst
  ixpk= 4028, nxpk= 25, iat=1022,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   79 ASP  HN           87 VAL  MGY         5.50    (#   4029:25  Unique         4.84, 6.47 A)
 &rst
  ixpk= 4029, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   87 VAL  HN           87 VAL  MGY         5.50    (#   4030:25  Unique         1.93, 3.72 A)
 &rst
  ixpk= 4030, nxpk= 25, iat=1356,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1362,1363,1364,1366,1367,1368,
 &end
#
#   89 ARG  HA           88 GLY  HA-         7.00    (#   4033:25  Unique         4.38, 4.50 A)
 &rst
  ixpk= 4033, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1374,1375,
 &end
#
#   89 ARG  HA           88 GLY  HA+         7.00    (#   4034:25  Unique         4.38, 4.50 A)
 &rst
  ixpk= 4034, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1374,1375,
 &end
#
#   17 VAL  MGX          14 GLU  HA          2.80    (#   4035:25  Unique         2.94, 4.49 A)
 &rst
  ixpk= 4035, nxpk= 25, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 278, 279, 280, 282, 283, 284,
 &end
#
#   90 VAL  MGX          89 ARG  HA          5.50    (#   4036:25  Unique         5.18, 6.76 A)
 &rst
  ixpk= 4036, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#   13 GLY  HA-          14 GLU  HA          5.50    (#   4037:25  Unique         4.33, 4.62 A)
 &rst
  ixpk= 4037, nxpk= 25, iat=  -1, 225, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 218, 219,
 &end
#
#    0 AMB  25-2:4038     0 AMB  25-1:4038   2.80    (#   4038:25  Double Ambig)
 &rst
  ixpk= 4038, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1389,1390,1389,1390,
 igr2=1386,1387,1386,1387,
 &end
#
#   89 ARG  HA           89 ARG  HG+         3.50    (#   4039:25  Unique         2.07, 2.77 A)
 &rst
  ixpk= 4039, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1386,1387,
 &end
#
#    0 AMB  25-2:4041     0 AMB  25-1:4041   2.80    (#   4041:25  Double Ambig)
 &rst
  ixpk= 4041, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1386,1387,1386,1387,
 igr2=1389,1390,1389,1390,
 &end
#
#    0 AMB  25-2:4043    90 VAL  HA          5.50    (#   4043:25  Single Ambig)
 &rst
  ixpk= 4043, nxpk= 25, iat=  -1,1405, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1379,1372,
 &end
#
#   98 MET  ME           98 MET  HG-         4.50    (#   4044:25  Unique         2.48, 3.72 A)
 &rst
  ixpk= 4044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1537,1538,1539,
 igr2=1533,1534,
 &end
#
#    3 ILE  HG1-         90 VAL  MGX         2.80    (#   4046:25  Unique         2.83, 4.94 A)
 &rst
  ixpk= 4046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  47,  48,
 igr2=1409,1410,1411,1413,1414,1415,
 &end
#
#   91 LEU  HG           91 LEU  HB+         3.50    (#   4049:25  Unique         2.45, 2.74 A)
 &rst
  ixpk= 4049, nxpk= 25, iat=1426,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1423,1424,
 &end
#
#   91 LEU  HG           91 LEU  HB-         2.80    (#   4050:25  Unique         2.45, 2.74 A)
 &rst
  ixpk= 4050, nxpk= 25, iat=1426,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1423,1424,
 &end
#
#   91 LEU  HA           91 LEU  HB-         3.50    (#   4051:25  Unique         2.65, 2.81 A)
 &rst
  ixpk= 4051, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1423,1424,
 &end
#
#  140 LEU  HN          140 LEU  HG          5.50    (#   4052:25  Unique         2.53, 2.67 A)
 &rst
  ixpk= 4052, nxpk= 25, iat=2177,2184, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:4053    91 LEU  MDX         2.80    (#   4053:25  Single Ambig)
 &rst
  ixpk= 4053, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=  80,  81,  82,1247,1248,1249,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   91 LEU  HB+          91 LEU  MDX         2.80    (#   4054:25  Unique         2.27, 3.27 A)
 &rst
  ixpk= 4054, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1423,1424,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  25-2:4055    91 LEU  MDX         5.50    (#   4055:25  Single Ambig)
 &rst
  ixpk= 4055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 848, 849,1033,1034,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   64 GLY  HA-          91 LEU  MDY         4.50    (#   4056:25  Unique         2.22, 4.96 A)
 &rst
  ixpk= 4056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1024,1025,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   91 LEU  HA           91 LEU  MDY         5.50    (#   4057:25  Unique         2.00, 3.73 A)
 &rst
  ixpk= 4057, nxpk= 25, iat=1421,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   64 GLY  HA+          91 LEU  MDY         5.50    (#   4058:25  Unique         2.22, 4.96 A)
 &rst
  ixpk= 4058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1024,1025,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#   92 VAL  HN           91 LEU  MDY         7.00    (#   4059:25  Unique         4.96, 5.76 A)
 &rst
  ixpk= 4059, nxpk= 25, iat=1438,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1428,1429,1430,1432,1433,1434,
 &end
#
#  117 TYR  HE           92 VAL  MGX         5.50    (#   4061:25  Unique         6.12, 7.73 A)
 &rst
  ixpk= 4061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1814,1819,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#   76 LEU  HB+          92 VAL  MGX         4.50    (#   4062:25  Unique         4.54, 6.51 A)
 &rst
  ixpk= 4062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1199,1200,
 igr2=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  25-2:4065     0 AMB  25-1:4065   2.80    (#   4065:25  Double Ambig)
 &rst
  ixpk= 4065, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1978,1979,2181,2182,1503,
 igr2=2186,2187,2188,2190,2191,2192,1444,1445,1446,1448,
      1449,1450,
 &end
#
#   89 ARG  HG-          93 GLU  HG-         3.50    (#   4067:25  Unique         3.33, 4.54 A)
 &rst
  ixpk= 4067, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1386,1387,
 igr2=1461,1462,
 &end
#
#  129 GLU  HB-         129 GLU  HG-         2.80    (#   4068:25  Unique         2.21, 2.69 A)
 &rst
  ixpk= 4068, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2010,2011,
 igr2=2013,2014,
 &end
#
#   68 LEU  MDY          95 ALA  MB          2.80    (#   4069:25  Unique         1.99, 3.90 A)
 &rst
  ixpk= 4069, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1094,1095,1096,1098,1099,1100,
 igr2=1490,1491,1492,
 &end
#
#    0 AMB  25-2:4072    95 ALA  MB          3.50    (#   4072:25  Single Ambig)
 &rst
  ixpk= 4072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1053,1054,1053,1054,1442,
 igr2=1490,1491,1492,
 &end
#
#   66 MET  HG+          95 ALA  MB          7.00    (#   4073:25  Unique         2.57, 3.74 A)
 &rst
  ixpk= 4073, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1056,1057,
 igr2=1490,1491,1492,
 &end
#
#   94 HIS  HB+          95 ALA  MB          7.00    (#   4074:25  Unique         4.02, 5.29 A)
 &rst
  ixpk= 4074, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1473,1474,
 igr2=1490,1491,1492,
 &end
#
#   94 HIS  HN           95 ALA  MB          4.50    (#   4075:25  Unique         4.70, 5.50 A)
 &rst
  ixpk= 4075, nxpk= 25, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1490,1491,1492,
 &end
#
#  109 GLN  HB+         109 GLN  HA          2.80    (#   4076:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 4076, nxpk= 25, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1692,1693,
 &end
#
#  100 PRO  HA           96 LEU  HB-         5.50    (#   4077:25  Unique         3.70, 4.54 A)
 &rst
  ixpk= 4077, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1500,1501,
 &end
#
#  100 PRO  HA           96 LEU  MDX         5.50    (#   4078:25  Unique         2.57, 4.65 A)
 &rst
  ixpk= 4078, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   93 GLU  HA           96 LEU  MDY         7.00    (#   4080:25  Unique         3.15, 5.21 A)
 &rst
  ixpk= 4080, nxpk= 25, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#  144 TYR  HD           96 LEU  MDY         7.00    (#   4081:25  Unique         1.99, 4.51 A)
 &rst
  ixpk= 4081, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=2247,2256,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#  102 LEU  MDX          96 LEU  MDY         3.50    (#   4083:25  Unique         2.00, 5.52 A)
 &rst
  ixpk= 4083, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#  120 VAL  MGX          96 LEU  MDY         5.50    (#   4084:25  Unique         2.15, 6.25 A)
 &rst
  ixpk= 4084, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1875,1876,1877,1879,1880,1881,
 igr2=1505,1506,1507,1509,1510,1511,
 &end
#
#   97 SER  HN           96 LEU  HA          4.50    (#   4085:25  Unique         3.41, 3.43 A)
 &rst
  ixpk= 4085, nxpk= 25, iat=1515,1498, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 MET  HG+          98 MET  HB+         2.80    (#   4086:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 4086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1533,1534,
 igr2=1530,1531,
 &end
#
#   98 MET  HG+          98 MET  HB-         2.80    (#   4087:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 4087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1533,1534,
 igr2=1530,1531,
 &end
#
#  102 LEU  HB-          99 ALA  MB          2.80    (#   4090:25  Unique         2.00, 3.09 A)
 &rst
  ixpk= 4090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1586,1587,
 igr2=1547,1548,1549,
 &end
#
#  102 LEU  HB+          99 ALA  MB          2.80    (#   4091:25  Unique         2.00, 3.09 A)
 &rst
  ixpk= 4091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1586,1587,
 igr2=1547,1548,1549,
 &end
#
#  100 PRO  HD-          99 ALA  HA          4.50    (#   4095:25  Unique         1.92, 2.25 A)
 &rst
  ixpk= 4095, nxpk= 25, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1554,1555,
 &end
#
#  100 PRO  HD+          99 ALA  HA          3.50    (#   4096:25  Unique         1.92, 2.25 A)
 &rst
  ixpk= 4096, nxpk= 25, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#   99 ALA  HN           99 ALA  HA          7.00    (#   4097:25  Unique         2.90, 2.90 A)
 &rst
  ixpk= 4097, nxpk= 25, iat=1543,1545, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  100 PRO  HA            0 AMB  25-1:4098   3.50    (#   4098:25  Single Ambig)
 &rst
  ixpk= 4098, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1557,1558,1557,1558,
 &end
#
#    0 AMB  25-2:4099     0 AMB  25-1:4099   2.80    (#   4099:25  Double Ambig)
 &rst
  ixpk= 4099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1554,1555,1554,1555,
 igr2=1557,1558,1557,1558,
 &end
#
#  100 PRO  HD-         100 PRO  HG-         2.80    (#   4100:25  Unique         2.30, 2.58 A)
 &rst
  ixpk= 4100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1554,1555,
 igr2=1557,1558,
 &end
#
#    0 AMB  25-2:4101     0 AMB  25-1:4101   2.80    (#   4101:25  Double Ambig)
 &rst
  ixpk= 4101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1563,1528,
 igr2=1554,1555,1554,1555,
 &end
#
#   50 ALA  HA            0 AMB  25-1:4103   3.50    (#   4103:25  Single Ambig)
 &rst
  ixpk= 4103, nxpk= 25, iat= 803,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 815, 816, 815, 816, 818, 819,
 &end
#
#  101 GLU  HB-         101 GLU  HG-         2.80    (#   4104:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 4104, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1571,1572,
 igr2=1574,1575,
 &end
#
#  102 LEU  MDY         102 LEU  HB+         3.50    (#   4105:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 4105, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1591,1592,1593,1595,1596,1597,
 igr2=1586,1587,
 &end
#
#  102 LEU  HA          102 LEU  HG          5.50    (#   4106:25  Unique         3.62, 3.64 A)
 &rst
  ixpk= 4106, nxpk= 25, iat=1584,1589, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 LEU  MDY         102 LEU  HG          2.80    (#   4107:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 4107, nxpk= 25, iat=  -1,1589, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#  102 LEU  MDX         102 LEU  HG          2.80    (#   4108:25  Unique         2.22, 2.63 A)
 &rst
  ixpk= 4108, nxpk= 25, iat=  -1,1589, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#  102 LEU  HB-         102 LEU  MDX         2.80    (#   4109:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 4109, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1586,1587,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  102 LEU  HB-         102 LEU  MDY         2.80    (#   4110:25  Unique         1.96, 3.21 A)
 &rst
  ixpk= 4110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1586,1587,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#   96 LEU  HB-         102 LEU  MDY         3.50    (#   4111:25  Unique         4.19, 6.22 A)
 &rst
  ixpk= 4111, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1500,1501,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  25-2:4112   102 LEU  MDY         3.50    (#   4112:25  Single Ambig)
 &rst
  ixpk= 4112, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1=1547,1548,1549,1444,1445,1446,1448,1449,1450,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  103 THR  HN          102 LEU  MDY         7.00    (#   4113:25  Unique         1.98, 4.08 A)
 &rst
  ixpk= 4113, nxpk= 25, iat=1601,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1591,1592,1593,1595,1596,1597,
 &end
#
#  142 LEU  HN          104 THR  MG2         7.00    (#   4114:25  Unique         3.33, 4.14 A)
 &rst
  ixpk= 4114, nxpk= 25, iat=2210,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1621,1622,1623,
 &end
#
#  122 PHE  HD          104 THR  MG2         7.00    (#   4115:25  Unique         2.81, 4.53 A)
 &rst
  ixpk= 4115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1900,1908,
 igr2=1621,1622,1623,
 &end
#
#  141 ASN  HN          105 ASN  HA          5.50    (#   4120:25  Unique         4.69, 4.76 A)
 &rst
  ixpk= 4120, nxpk= 25, iat=2196,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  106 VAL  HA          105 ASN  HA          5.50    (#   4121:25  Unique         4.40, 4.51 A)
 &rst
  ixpk= 4121, nxpk= 25, iat=1645,1631, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 THR  MG2         106 VAL  HB          7.00    (#   4123:25  Unique         3.87, 4.99 A)
 &rst
  ixpk= 4123, nxpk= 25, iat=  -1,1647, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1621,1622,1623,
 &end
#
#  106 VAL  HA          106 VAL  MGX         3.50    (#   4125:25  Unique         2.36, 3.45 A)
 &rst
  ixpk= 4125, nxpk= 25, iat=1645,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  142 LEU  MDX         106 VAL  MGX         4.50    (#   4126:25  Unique         2.11, 4.89 A)
 &rst
  ixpk= 4126, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#  140 LEU  HG          106 VAL  MGX         3.50    (#   4128:25  Unique         3.54, 5.33 A)
 &rst
  ixpk= 4128, nxpk= 25, iat=2184,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  25-2:4129     0 AMB  25-1:4129   2.80    (#   4129:25  Double Ambig)
 &rst
  ixpk= 4129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=  15,  16,  17, 928, 929, 928, 929, 276,
 igr2=1297,1298,1299,1301,1302,1303,  27,  28,  29,  31,
        32,  33, 278, 279, 280, 282, 283, 284,
 &end
#
#  140 LEU  HG          108 GLU  HA          3.50    (#   4131:25  Unique         3.24, 3.45 A)
 &rst
  ixpk= 4131, nxpk= 25, iat=2184,1675, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 GLU  HN          108 GLU  HG-         5.50    (#   4132:25  Unique         3.83, 4.03 A)
 &rst
  ixpk= 4132, nxpk= 25, iat=1673,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1680,1681,
 &end
#
#  109 GLN  HB+         109 GLN  HG-         2.80    (#   4133:25  Unique         2.21, 2.70 A)
 &rst
  ixpk= 4133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1692,1693,
 igr2=1695,1696,
 &end
#
#    0 AMB  25-2:4134     0 AMB  25-1:4134   2.80    (#   4134:25  Double Ambig)
 &rst
  ixpk= 4134, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 225,1690,
 igr2= 230, 231,1695,1696,
 &end
#
#    0 AMB  25-2:4135   109 GLN  HB-         7.00    (#   4135:25  Single Ambig)
 &rst
  ixpk= 4135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1700,1701,2133,2138,
 igr2=1692,1693,
 &end
#
#  109 GLN  HE2+        109 GLN  HB-         7.00    (#   4136:25  Unique         2.22, 3.44 A)
 &rst
  ixpk= 4136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1700,1701,
 igr2=1692,1693,
 &end
#
#  106 VAL  MGY         110 ASN  HB-         7.00    (#   4137:25  Unique         3.73, 6.42 A)
 &rst
  ixpk= 4137, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1649,1650,1651,1653,1654,1655,
 igr2=1709,1710,
 &end
#
#  112 GLN  HN          111 GLU  HA          7.00    (#   4138:25  Unique         3.42, 3.44 A)
 &rst
  ixpk= 4138, nxpk= 25, iat=1734,1721, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  111 GLU  HG-         111 GLU  HA          2.80    (#   4139:25  Unique         2.18, 2.99 A)
 &rst
  ixpk= 4139, nxpk= 25, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1726,1727,
 &end
#
#    0 AMB  25-2:4142     0 AMB  25-1:4142   5.50    (#   4142:25  Double Ambig)
 &rst
  ixpk= 4142, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1761,1825,
 igr2=1736,1849,
 &end
#
#  119 LYS  HG-         119 LYS  HA          3.50    (#   4143:25  Unique         2.04, 2.96 A)
 &rst
  ixpk= 4143, nxpk= 25, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1854,1855,
 &end
#
#    0 AMB  25-2:4144   119 LYS  HA          4.50    (#   4144:25  Single Ambig)
 &rst
  ixpk= 4144, nxpk= 25, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#   24 VAL  MGX          36 ARG  HB-         5.50    (#   4145:25  Unique         3.02, 7.13 A)
 &rst
  ixpk= 4145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 393, 394, 395, 397, 398, 399,
 igr2= 568, 569,
 &end
#
#  106 VAL  MGX         113 ALA  MB          3.50    (#   4146:25  Unique         1.96, 4.36 A)
 &rst
  ixpk= 4146, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1649,1650,1651,1653,1654,1655,
 igr2=1755,1756,1757,
 &end
#
#  106 VAL  MGY         114 VAL  HA          2.80    (#   4147:25  Unique         2.47, 3.98 A)
 &rst
  ixpk= 4147, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  117 TYR  HD          114 VAL  HA          7.00    (#   4148:25  Unique         4.85, 5.39 A)
 &rst
  ixpk= 4148, nxpk= 25, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1812,1821,
 &end
#
#  140 LEU  HG          114 VAL  MGX         4.50    (#   4149:25  Unique         4.81, 6.30 A)
 &rst
  ixpk= 4149, nxpk= 25, iat=2184,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#    0 AMB  25-2:4150   114 VAL  MGX         3.50    (#   4150:25  Single Ambig)
 &rst
  ixpk= 4150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1829,1830,1829,1830,1677,1678,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#  110 ASN  HN          114 VAL  MGX         4.50    (#   4151:25  Unique         3.82, 6.84 A)
 &rst
  ixpk= 4151, nxpk= 25, iat=1705,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1767,1768,1769,1771,1772,1773,
 &end
#
#   53 TRP  HE1          68 LEU  MDX         5.50    (#   4152:25  Unique         4.99, 6.79 A)
 &rst
  ixpk= 4152, nxpk= 25, iat= 854,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   58 GLU  HA            2 VAL  MGX         4.50    (#   4153:25  Unique         2.14, 4.79 A)
 &rst
  ixpk= 4153, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#    2 VAL  HA            2 VAL  MGY         2.80    (#   4154:25  Unique         2.23, 3.17 A)
 &rst
  ixpk= 4154, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#    0 AMB  25-2:4155     0 AMB  25-1:4155   5.50    (#   4155:25  Double Ambig)
 &rst
  ixpk= 4155, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1342,1343,1838,1839,
 igr2=1297,1298,1299,1301,1302,1303,1767,1768,1769,1771,
      1772,1773,
 &end
#
#    0 AMB  25-2:4156   116 PHE  HA          5.50    (#   4156:25  Single Ambig)
 &rst
  ixpk= 4156, nxpk= 25, iat=  -1,1786, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1779,1780,1806,
 &end
#
#  116 PHE  HD          116 PHE  HB+         4.50    (#   4157:25  Unique         2.33, 3.03 A)
 &rst
  ixpk= 4157, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1792,1800,
 igr2=1788,1789,
 &end
#
#  114 VAL  HA            0 AMB  25-1:4158   5.50    (#   4158:25  Single Ambig)
 &rst
  ixpk= 4158, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1808,1809,1808,1809,
 &end
#
#    7 ARG  HA            7 ARG  HB-         3.50    (#   4159:25  Unique         2.43, 2.73 A)
 &rst
  ixpk= 4159, nxpk= 25, iat= 112,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 114, 115,
 &end
#
#  118 LYS  HN          118 LYS  HD-         3.50    (#   4160:25  Unique         2.98, 3.52 A)
 &rst
  ixpk= 4160, nxpk= 25, iat=1825,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1835,1836,
 &end
#
#  123 LYS  HA          118 LYS  HD-         4.50    (#   4161:25  Unique         4.11, 4.80 A)
 &rst
  ixpk= 4161, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#  119 LYS  HN          118 LYS  HD-         5.50    (#   4162:25  Unique         5.03, 5.39 A)
 &rst
  ixpk= 4162, nxpk= 25, iat=1847,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1835,1836,
 &end
#
#    0 AMB  25-2:4163     0 AMB  25-1:4163   5.50    (#   4163:25  Double Ambig)
 &rst
  ixpk= 4163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1779,1780, 726, 727,
 igr2=1835,1836, 702, 703,
 &end
#
#  118 LYS  HG-         118 LYS  HD-         2.80    (#   4164:25  Unique         2.25, 2.73 A)
 &rst
  ixpk= 4164, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1832,1833,
 igr2=1835,1836,
 &end
#
#    0 AMB  25-2:4165     0 AMB  25-1:4165   2.80    (#   4165:25  Double Ambig)
 &rst
  ixpk= 4165, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1854,1855,1854,1855,
 igr2=1851,1852,1851,1852,
 &end
#
#  119 LYS  HG-           0 AMB  25-1:4166   2.80    (#   4166:25  Single Ambig)
 &rst
  ixpk= 4166, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1854,1855,
 igr2=1851,1852,1851,1852,
 &end
#
#  119 LYS  HE-         119 LYS  HG+         7.00    (#   4167:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 4167, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1860,1861,
 igr2=1854,1855,
 &end
#
#  119 LYS  HE-         119 LYS  HG-         5.50    (#   4168:25  Unique         2.12, 3.03 A)
 &rst
  ixpk= 4168, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1860,1861,
 igr2=1854,1855,
 &end
#
#  119 LYS  HN          119 LYS  HG-         5.50    (#   4169:25  Unique         2.22, 3.53 A)
 &rst
  ixpk= 4169, nxpk= 25, iat=1847,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1854,1855,
 &end
#
#    0 AMB  25-2:4170     0 AMB  25-1:4170   5.50    (#   4170:25  Double Ambig)
 &rst
  ixpk= 4170, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1779,1780,1806, 225,
 igr2=1857,1858, 702, 703,
 &end
#
#   41 ASP  HA            0 AMB  25-1:4171   3.50    (#   4171:25  Single Ambig)
 &rst
  ixpk= 4171, nxpk= 25, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 702, 703, 702, 703,
 &end
#
#  119 LYS  HN          119 LYS  HD-         5.50    (#   4172:25  Unique         3.31, 4.01 A)
 &rst
  ixpk= 4172, nxpk= 25, iat=1847,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1857,1858,
 &end
#
#  116 PHE  HD          120 VAL  MGX         3.50    (#   4175:25  Unique         3.36, 7.03 A)
 &rst
  ixpk= 4175, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1792,1800,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#    0 AMB  25-2:4177   120 VAL  MGY         2.80    (#   4177:25  Single Ambig)
 &rst
  ixpk= 4177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1851,1852,1851,1852,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#   92 VAL  MGX         120 VAL  MGY         2.80    (#   4178:25  Unique         2.31, 5.03 A)
 &rst
  ixpk= 4178, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1444,1445,1446,1448,1449,1450,
 igr2=1875,1876,1877,1879,1880,1881,
 &end
#
#  123 LYS  HN          122 PHE  HA          2.80    (#   4179:25  Unique         2.32, 2.35 A)
 &rst
  ixpk= 4179, nxpk= 25, iat=1912,1894, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 PHE  HD          122 PHE  HB+         5.50    (#   4180:25  Unique         2.29, 3.04 A)
 &rst
  ixpk= 4180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1900,1908,
 igr2=1896,1897,
 &end
#
#  142 LEU  HB-         122 PHE  HB+         5.50    (#   4181:25  Unique         2.15, 3.12 A)
 &rst
  ixpk= 4181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2214,2215,
 igr2=1896,1897,
 &end
#
#  142 LEU  MDY         122 PHE  HB+         5.50    (#   4182:25  Unique         2.53, 4.84 A)
 &rst
  ixpk= 4182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=1896,1897,
 &end
#
#  123 LYS  HD-           0 AMB  25-1:4183   2.80    (#   4183:25  Single Ambig)
 &rst
  ixpk= 4183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1922,1923,
 igr2=1916,1917,1916,1917,
 &end
#
#  123 LYS  HE-           0 AMB  25-1:4184   7.00    (#   4184:25  Single Ambig)
 &rst
  ixpk= 4184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1925,1926,
 igr2=1916,1917,1916,1917,
 &end
#
#  123 LYS  HE-         123 LYS  HG-         5.50    (#   4185:25  Unique         2.11, 3.12 A)
 &rst
  ixpk= 4185, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1925,1926,
 igr2=1919,1920,
 &end
#
#  123 LYS  HN          123 LYS  HG+         7.00    (#   4186:25  Unique         4.45, 4.65 A)
 &rst
  ixpk= 4186, nxpk= 25, iat=1912,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1919,1920,
 &end
#
#  123 LYS  HA          123 LYS  HG+         7.00    (#   4187:25  Unique         2.15, 2.98 A)
 &rst
  ixpk= 4187, nxpk= 25, iat=1914,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1919,1920,
 &end
#
#  123 LYS  HG+         123 LYS  HD-         2.80    (#   4188:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 4188, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1919,1920,
 igr2=1922,1923,
 &end
#
#  125 THR  MG2         123 LYS  HE-         4.50    (#   4189:25  Unique         3.21, 5.92 A)
 &rst
  ixpk= 4189, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1956,1957,1958,
 igr2=1925,1926,
 &end
#
#  124 VAL  MGY         123 LYS  HE-         5.50    (#   4190:25  Unique         4.71, 6.96 A)
 &rst
  ixpk= 4190, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1940,1941,1942,1944,1945,1946,
 igr2=1925,1926,
 &end
#
#  126 GLY  HN          124 VAL  MGY         4.50    (#   4192:25  Unique         2.88, 4.92 A)
 &rst
  ixpk= 4192, nxpk= 25, iat=1964,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  141 ASN  HN          124 VAL  MGY         5.50    (#   4193:25  Unique         2.96, 5.13 A)
 &rst
  ixpk= 4193, nxpk= 25, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1940,1941,1942,1944,1945,1946,
 &end
#
#  126 GLY  HA-           0 AMB  25-1:4195   5.50    (#   4195:25  Single Ambig)
 &rst
  ixpk= 4195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1966,1967,
 igr2=1940,1941,1942,1944,1945,1946,1956,1957,1958,
 &end
#
#  141 ASN  HN          126 GLY  HA+         5.50    (#   4196:25  Unique         3.48, 4.17 A)
 &rst
  ixpk= 4196, nxpk= 25, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1966,1967,
 &end
#
#  127 ARG  HN          126 GLY  HA-         2.80    (#   4197:25  Unique         2.24, 2.63 A)
 &rst
  ixpk= 4197, nxpk= 25, iat=1971,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1966,1967,
 &end
#
#  128 SER  HN          127 ARG  HB-         4.50    (#   4198:25  Unique         2.80, 3.44 A)
 &rst
  ixpk= 4198, nxpk= 25, iat=1995,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1975,1976,
 &end
#
#  127 ARG  HE          127 ARG  HG-         7.00    (#   4199:25  Unique         2.13, 3.23 A)
 &rst
  ixpk= 4199, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1978,1979,
 &end
#
#  128 SER  HN          127 ARG  HG-         5.50    (#   4200:25  Unique         2.88, 3.49 A)
 &rst
  ixpk= 4200, nxpk= 25, iat=1995,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1978,1979,
 &end
#
#  128 SER  HN          127 ARG  HG+         5.50    (#   4201:25  Unique         2.88, 3.49 A)
 &rst
  ixpk= 4201, nxpk= 25, iat=1995,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1978,1979,
 &end
#
#  127 ARG  HE          127 ARG  HD-         3.50    (#   4202:25  Unique         2.30, 2.67 A)
 &rst
  ixpk= 4202, nxpk= 25, iat=1984,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1981,1982,
 &end
#
#  127 ARG  HB-         127 ARG  HD+         2.80    (#   4203:25  Unique         2.38, 3.01 A)
 &rst
  ixpk= 4203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1975,1976,
 igr2=1981,1982,
 &end
#
#    0 AMB  25-2:4204     0 AMB  25-1:4204   2.80    (#   4204:25  Double Ambig)
 &rst
  ixpk= 4204, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1=1297,1298,1299,1301,1302,1303, 308, 309,
 igr2=1257,1258,1257,1258,
 &end
#
#  129 GLU  HN          128 SER  HB-         7.00    (#   4207:25  Unique         2.47, 3.28 A)
 &rst
  ixpk= 4207, nxpk= 25, iat=2006,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1999,2000,
 &end
#
#  130 VAL  MGY         129 GLU  HB+         3.50    (#   4209:25  Unique         2.49, 4.48 A)
 &rst
  ixpk= 4209, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2027,2028,2029,2031,2032,2033,
 igr2=2010,2011,
 &end
#
#  130 VAL  HN          129 GLU  HG+         5.50    (#   4210:25  Unique         3.99, 4.51 A)
 &rst
  ixpk= 4210, nxpk= 25, iat=2021,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2013,2014,
 &end
#
#  129 GLU  HN          130 VAL  MGY         7.00    (#   4212:25  Unique         3.71, 5.44 A)
 &rst
  ixpk= 4212, nxpk= 25, iat=2006,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  134 GLY  HN          130 VAL  MGY         5.50    (#   4213:25  Unique         3.94, 5.00 A)
 &rst
  ixpk= 4213, nxpk= 25, iat=2080,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2027,2028,2029,2031,2032,2033,
 &end
#
#  134 GLY  HN          131 ASP  HB+         7.00    (#   4214:25  Unique         3.73, 4.67 A)
 &rst
  ixpk= 4214, nxpk= 25, iat=2080,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2041,2042,
 &end
#
#   24 VAL  MGY          25 ASP  HA          7.00    (#   4215:25  Unique         3.28, 5.32 A)
 &rst
  ixpk= 4215, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 393, 394, 395, 397, 398, 399,
 &end
#
#  133 LEU  HG          132 ASP  HB-         4.50    (#   4216:25  Unique         2.76, 3.64 A)
 &rst
  ixpk= 4216, nxpk= 25, iat=2068,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2053,2054,
 &end
#
#  133 LEU  HB+         133 LEU  HA          2.80    (#   4217:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 4217, nxpk= 25, iat=  -1,2063, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2065,2066,
 &end
#
#  132 ASP  HB-         133 LEU  MDY         5.50    (#   4220:25  Unique         3.87, 5.71 A)
 &rst
  ixpk= 4220, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2053,2054,
 igr2=2070,2071,2072,2074,2075,2076,
 &end
#
#  135 LYS  HB-         135 LYS  HA          2.80    (#   4221:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 4221, nxpk= 25, iat=  -1,2089, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2091,2092,
 &end
#
#   22 ARG  HA           25 ASP  HB+         3.50    (#   4222:25  Unique         2.81, 3.59 A)
 &rst
  ixpk= 4222, nxpk= 25, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#   25 ASP  HA           25 ASP  HB+         2.80    (#   4223:25  Unique         2.34, 2.79 A)
 &rst
  ixpk= 4223, nxpk= 25, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 407, 408,
 &end
#
#  135 LYS  HN          135 LYS  HB-         7.00    (#   4224:25  Unique         2.69, 3.23 A)
 &rst
  ixpk= 4224, nxpk= 25, iat=2087,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2091,2092,
 &end
#
#  135 LYS  HA          135 LYS  HB+         5.50    (#   4225:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 4225, nxpk= 25, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2091,2092,
 &end
#
#  135 LYS  HA          135 LYS  HB-         4.50    (#   4226:25  Unique         2.24, 2.47 A)
 &rst
  ixpk= 4226, nxpk= 25, iat=2089,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2091,2092,
 &end
#
#   67 LEU  HB+          52 LEU  MDX         3.50    (#   4227:25  Unique         2.00, 4.96 A)
 &rst
  ixpk= 4227, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1070,1071,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#  135 LYS  HB+         135 LYS  HG-         7.00    (#   4228:25  Unique         2.22, 2.72 A)
 &rst
  ixpk= 4228, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2091,2092,
 igr2=2094,2095,
 &end
#
#    0 AMB  25-2:4229   135 LYS  HG-         4.50    (#   4229:25  Single Ambig)
 &rst
  ixpk= 4229, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2100,2101,2100,2101,
 igr2=2094,2095,
 &end
#
#  135 LYS  HD+         135 LYS  HG-         5.50    (#   4230:25  Unique         2.26, 2.61 A)
 &rst
  ixpk= 4230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2097,2098,
 igr2=2094,2095,
 &end
#
#  135 LYS  HD+         135 LYS  HG+         4.50    (#   4231:25  Unique         2.26, 2.61 A)
 &rst
  ixpk= 4231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2097,2098,
 igr2=2094,2095,
 &end
#
#  133 LEU  HB-           0 AMB  25-1:4232   5.50    (#   4232:25  Single Ambig)
 &rst
  ixpk= 4232, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=2065,2066,
 igr2=2100,2101,2100,2101,
 &end
#
#    0 AMB  25-2:4233     0 AMB  25-1:4233   5.50    (#   4233:25  Double Ambig)
 &rst
  ixpk= 4233, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=2065,2066,2065,2066,
 igr2=2100,2101,2100,2101,
 &end
#
#    0 AMB  25-2:4234   136 PRO  HA          4.50    (#   4234:25  Single Ambig)
 &rst
  ixpk= 4234, nxpk= 25, iat=  -1,2119, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2145,2146,2110,2111,
 &end
#
#  136 PRO  HG-         136 PRO  HA          7.00    (#   4235:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 4235, nxpk= 25, iat=  -1,2119, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2113,2114,
 &end
#
#  136 PRO  HA          136 PRO  HG-         7.00    (#   4236:25  Unique         3.85, 3.94 A)
 &rst
  ixpk= 4236, nxpk= 25, iat=2119,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=2113,2114,
 &end
#
#    0 AMB  25-2:4237     0 AMB  25-1:4237   5.50    (#   4237:25  Double Ambig)
 &rst
  ixpk= 4237, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1700,1701,2133,2138,
 igr2=2127,2128,2127,2128,2127,2128,
 &end
#
#    0 AMB  25-2:4238   138 PRO  HA          5.50    (#   4238:25  Single Ambig)
 &rst
  ixpk= 4238, nxpk= 25, iat=  -1,2154, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2041,2042,2145,2146,
 &end
#
#   80 PRO  HA            0 AMB  25-1:4240   3.50    (#   4240:25  Single Ambig)
 &rst
  ixpk= 4240, nxpk= 25, iat=1275,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1269,1270,1269,1270,
 &end
#
#  128 SER  HB-         139 LEU  HB+         7.00    (#   4241:25  Unique         3.70, 4.68 A)
 &rst
  ixpk= 4241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1999,2000,
 igr2=2162,2163,
 &end
#
#  140 LEU  HG          140 LEU  HB+         3.50    (#   4242:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 4242, nxpk= 25, iat=2184,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2181,2182,
 &end
#
#  140 LEU  HG          140 LEU  HB-         2.80    (#   4243:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 4243, nxpk= 25, iat=2184,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2181,2182,
 &end
#
#  126 GLY  HA-         141 ASN  HB+         7.00    (#   4244:25  Unique         2.00, 3.92 A)
 &rst
  ixpk= 4244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1966,1967,
 igr2=2200,2201,
 &end
#
#  126 GLY  HA-         141 ASN  HB-         7.00    (#   4245:25  Unique         2.00, 3.92 A)
 &rst
  ixpk= 4245, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1966,1967,
 igr2=2200,2201,
 &end
#
#  141 ASN  HD2-        141 ASN  HB-         7.00    (#   4246:25  Unique         2.67, 3.50 A)
 &rst
  ixpk= 4246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2205,2206,
 igr2=2200,2201,
 &end
#
#  124 VAL  MGY         142 LEU  HA          5.50    (#   4247:25  Unique         3.77, 4.99 A)
 &rst
  ixpk= 4247, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#  122 PHE  HB-         142 LEU  HA          7.00    (#   4248:25  Unique         4.13, 5.11 A)
 &rst
  ixpk= 4248, nxpk= 25, iat=  -1,2212, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1896,1897,
 &end
#
#  122 PHE  HD          142 LEU  HB-         7.00    (#   4249:25  Unique         2.43, 4.28 A)
 &rst
  ixpk= 4249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1900,1908,
 igr2=2214,2215,
 &end
#
#  142 LEU  MDY         142 LEU  HB+         3.50    (#   4251:25  Unique         2.21, 3.27 A)
 &rst
  ixpk= 4251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2219,2220,2221,2223,2224,2225,
 igr2=2214,2215,
 &end
#
#  142 LEU  HA          142 LEU  HG          7.00    (#   4252:25  Unique         3.55, 3.56 A)
 &rst
  ixpk= 4252, nxpk= 25, iat=2212,2217, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  104 THR  MG2         142 LEU  MDX         7.00    (#   4253:25  Unique         2.82, 4.95 A)
 &rst
  ixpk= 4253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1621,1622,1623,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  106 VAL  MGX         142 LEU  MDX         2.80    (#   4254:25  Unique         2.11, 4.89 A)
 &rst
  ixpk= 4254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1649,1650,1651,1653,1654,1655,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:4255   142 LEU  MDX         2.80    (#   4255:25  Single Ambig)
 &rst
  ixpk= 4255, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1940,1941,1942,1944,1945,1946,1649,1650,1651,1653,
      1654,1655,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  25-2:4262   142 LEU  MDY         5.50    (#   4262:25  Single Ambig)
 &rst
  ixpk= 4262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1643,1934,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  122 PHE  HD          142 LEU  MDY         5.50    (#   4264:25  Unique         3.97, 6.21 A)
 &rst
  ixpk= 4264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1900,1908,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  HG          142 LEU  MDY         2.80    (#   4266:25  Unique         2.23, 2.63 A)
 &rst
  ixpk= 4266, nxpk= 25, iat=2217,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=2219,2220,2221,2223,2224,2225,
 &end
#
#  103 THR  HA          143 ALA  HA          2.80    (#   4269:25  Unique         2.20, 2.25 A)
 &rst
  ixpk= 4269, nxpk= 25, iat=1603,2231, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 PHE  HB+         144 TYR  HA          7.00    (#   4271:25  Unique         4.54, 4.83 A)
 &rst
  ixpk= 4271, nxpk= 25, iat=  -1,2241, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1896,1897,
 &end
#
#  145 VAL  HN          144 TYR  HB+         4.50    (#   4273:25  Unique         4.20, 4.40 A)
 &rst
  ixpk= 4273, nxpk= 25, iat=2260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2243,2244,
 &end
#
#  145 VAL  HN          144 TYR  HB-         5.50    (#   4274:25  Unique         4.20, 4.40 A)
 &rst
  ixpk= 4274, nxpk= 25, iat=2260,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2243,2244,
 &end
#
#  146 GLY  HN          145 VAL  HA          3.50    (#   4275:25  Unique         3.28, 3.43 A)
 &rst
  ixpk= 4275, nxpk= 25, iat=2276,2262, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:4276   145 VAL  HB          4.50    (#   4276:25  Single Ambig)
 &rst
  ixpk= 4276, nxpk= 25, iat=  -1,2264, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1919,1920,2233,2234,2235,
 &end
#
#  144 TYR  HA          145 VAL  HB          7.00    (#   4277:25  Unique         4.58, 4.63 A)
 &rst
  ixpk= 4277, nxpk= 25, iat=2241,2264, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  25-2:4278   145 VAL  HB          5.50    (#   4278:25  Single Ambig)
 &rst
  ixpk= 4278, nxpk= 25, iat=  -1,2264, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2278,2279,1887,1888,
 &end
#
#  125 THR  MG2         145 VAL  MGX         4.50    (#   4280:25  Unique         3.95, 6.12 A)
 &rst
  ixpk= 4280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1956,1957,1958,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  146 GLY  HA-         145 VAL  MGX         5.50    (#   4282:25  Unique         3.55, 6.09 A)
 &rst
  ixpk= 4282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=2278,2279,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#  147 ALA  HN          145 VAL  MGY         5.50    (#   4283:25  Unique         2.64, 5.93 A)
 &rst
  ixpk= 4283, nxpk= 25, iat=2283,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#    0 AMB  25-2:4284   147 ALA  HA          7.00    (#   4284:25  Single Ambig)
 &rst
  ixpk= 4284, nxpk= 25, iat=  -1,2285, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#    0 AMB  25-2:4286    25 ASP  HA          5.50    (#   4286:25  Single Ambig)
 &rst
  ixpk= 4286, nxpk= 25, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 419, 420, 421, 356, 357,
 &end
#
#   20 TRP  HZ2          24 VAL  MGX         5.50    (#   4287:25  Unique         3.49, 5.43 A)
 &rst
  ixpk= 4287, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   20 TRP  HH2          24 VAL  MGX         5.50    (#   4288:25  Unique         3.76, 5.75 A)
 &rst
  ixpk= 4288, nxpk= 25, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   25 ASP  HA           24 VAL  MGX         7.00    (#   4290:25  Unique         3.28, 5.32 A)
 &rst
  ixpk= 4290, nxpk= 25, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   28 HIS  HB-          24 VAL  MGX         3.50    (#   4291:25  Unique         2.00, 4.28 A)
 &rst
  ixpk= 4291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 443, 444,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   20 TRP  HZ2          24 VAL  MGY         5.50    (#   4292:25  Unique         3.49, 5.43 A)
 &rst
  ixpk= 4292, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   77 PHE  HE           24 VAL  MGY         7.00    (#   4293:25  Unique         2.29, 7.66 A)
 &rst
  ixpk= 4293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1224,1228,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#    0 AMB  25-2:4294    24 VAL  MGY         7.00    (#   4294:25  Single Ambig)
 &rst
  ixpk= 4294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 577, 403,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#   23 SER  HN           24 VAL  MGY         7.00    (#   4295:25  Unique         3.68, 5.88 A)
 &rst
  ixpk= 4295, nxpk= 25, iat= 376,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 393, 394, 395, 397, 398, 399,
 &end
#
#    0 AMB  25-2:4297    98 MET  ME          7.00    (#   4297:25  Single Ambig)
 &rst
  ixpk= 4297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1473,1474, 848, 849,
 igr2=1537,1538,1539,
 &end
#
#   66 MET  HG+          73 MET  ME          5.50    (#   4302:25  Unique         4.76, 5.91 A)
 &rst
  ixpk= 4302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1056,1057,
 igr2=1167,1168,1169,
 &end
#
#   66 MET  HG-          73 MET  ME          4.50    (#   4303:25  Unique         4.76, 5.91 A)
 &rst
  ixpk= 4303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1056,1057,
 igr2=1167,1168,1169,
 &end
#
#  104 THR  HB           73 MET  ME          3.50    (#   4304:25  Unique         1.98, 3.19 A)
 &rst
  ixpk= 4304, nxpk= 25, iat=1619,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1167,1168,1169,
 &end
#
#    0 AMB  25-2:4305    73 MET  ME          7.00    (#   4305:25  Single Ambig)
 &rst
  ixpk= 4305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1629,1214,
 igr2=1167,1168,1169,
 &end
#
#   28 HIS  HN           27 THR  MG2         5.50    (#   4307:25  Unique         3.95, 5.03 A)
 &rst
  ixpk= 4307, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 431, 432, 433,
 &end
#
#   57 ASN  HD2+          1 MET  ME          7.00    (#   4308:25  Unique         3.67, 5.92 A)
 &rst
  ixpk= 4308, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 919, 920,
 igr2=  15,  16,  17,
 &end
#
#    3 ILE  HG1-          1 MET  ME          5.50    (#   4309:25  Unique         3.59, 4.85 A)
 &rst
  ixpk= 4309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  47,  48,
 igr2=  15,  16,  17,
 &end
#
#   53 TRP  HD1          53 TRP  HB+         7.00    (#   4310:25  Unique         2.79, 3.34 A)
 &rst
  ixpk= 4310, nxpk= 25, iat= 852,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 848, 849,
 &end
#
#   82 VAL  HB           85 CYS  HB-         5.50    (#   4311:25  Unique         2.26, 3.17 A)
 &rst
  ixpk= 4311, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1342,1343,
 &end
#
#   85 CYS  HB+          82 VAL  HB          5.50    (#   4312:25  Unique         2.26, 3.17 A)
 &rst
  ixpk= 4312, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1342,1343,
 &end
#
#   28 HIS  HA           28 HIS  HB-         7.00    (#   4313:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 4313, nxpk= 25, iat= 441,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 443, 444,
 &end
#
#   28 HIS  HA           28 HIS  HB+         5.50    (#   4314:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 4314, nxpk= 25, iat= 441,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 443, 444,
 &end
#
#   31 LEU  MDY          28 HIS  HB-         5.50    (#   4315:25  Unique         2.00, 5.12 A)
 &rst
  ixpk= 4315, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 497, 498, 499, 501, 502, 503,
 igr2= 443, 444,
 &end
#
#   22 ARG  HA           22 ARG  HB+         4.50    (#   4318:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 4318, nxpk= 25, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 356, 357,
 &end
#
#    0 AMB  25-2:4319    35 TYR  HB-         3.50    (#   4319:25  Single Ambig)
 &rst
  ixpk= 4319, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=2133,2138,1700,1701,
 igr2= 547, 548,
 &end
#
#   35 TYR  HD           35 TYR  HB-         4.50    (#   4320:25  Unique         2.30, 3.06 A)
 &rst
  ixpk= 4320, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 551, 560,
 igr2= 547, 548,
 &end
#
#   89 ARG  HG+          93 GLU  HG+         4.50    (#   4322:25  Unique         3.33, 4.54 A)
 &rst
  ixpk= 4322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1386,1387,
 igr2=1461,1462,
 &end
#
#   89 ARG  HG+          93 GLU  HG-         3.50    (#   4323:25  Unique         3.33, 4.54 A)
 &rst
  ixpk= 4323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1386,1387,
 igr2=1461,1462,
 &end
#
#  131 ASP  HB+         131 ASP  HA          3.50    (#   4324:25  Unique         2.34, 2.75 A)
 &rst
  ixpk= 4324, nxpk= 25, iat=  -1,2039, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2041,2042,
 &end
#
#   77 PHE  HD           77 PHE  HA          4.50    (#   4325:25  Unique         3.25, 3.50 A)
 &rst
  ixpk= 4325, nxpk= 25, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1222,1230,
 &end
#
#   20 TRP  HH2           0 AMB  25-1:4326   4.50    (#   4326:25  Single Ambig)
 &rst
  ixpk= 4326, nxpk= 25, iat= 332,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 640, 641, 640, 641,
 &end
#
#    0 AMB  25-2:4327    68 LEU  MDX         5.50    (#   4327:25  Single Ambig)
 &rst
  ixpk= 4327, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1515, 852,
 igr2=1094,1095,1096,1098,1099,1100,
 &end
#
#   53 TRP  HE3          98 MET  ME          7.00    (#   4328:25  Unique         6.59, 7.82 A)
 &rst
  ixpk= 4328, nxpk= 25, iat= 863,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1537,1538,1539,
 &end
#
#   28 HIS  HN           28 HIS  HB-         5.50    (#   4329:25  Unique         2.48, 3.41 A)
 &rst
  ixpk= 4329, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 443, 444,
 &end
#
#   28 HIS  HN           28 HIS  HB+         7.00    (#   4330:25  Unique         2.48, 3.41 A)
 &rst
  ixpk= 4330, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 443, 444,
 &end
#
#    0 AMB  25-2:4331     0 AMB  25-1:4331   3.50    (#   4331:25  Double Ambig)
 &rst
  ixpk= 4331, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 403, 288,
 igr2= 354, 225,
 &end
#
#  146 GLY  HN          145 VAL  MGY         4.50    (#   4332:25  Unique         3.10, 4.74 A)
 &rst
  ixpk= 4332, nxpk= 25, iat=2276,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=2266,2267,2268,2270,2271,2272,
 &end
#
#   63 VAL  HN           56 VAL  MGY         3.50    (#   4333:25  Unique         3.73, 5.67 A)
 &rst
  ixpk= 4333, nxpk= 25, iat=1006,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 900, 901, 902, 904, 905, 906,
 &end
#
#   50 ALA  HN           48 PRO  HA          7.00    (#   4334:25  Unique         3.94, 3.97 A)
 &rst
  ixpk= 4334, nxpk= 25, iat= 801, 782, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    3 ILE  HA            3 ILE  HN          3.50    (#      0:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 0, nxpk= 15, iat=  39,  37, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#    2 VAL  HA            3 ILE  HN          2.80    (#      1:15  Unique         2.22, 2.25 A)
 &rst
  ixpk= 1, nxpk= 15, iat=  23,  37, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 ILE  HB            3 ILE  HN          2.80    (#      2:15  Unique         2.83, 2.83 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  41,  37, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    2 VAL  HB            3 ILE  HN          5.50    (#      3:15  Unique         3.80, 3.90 A)
 &rst
  ixpk= 3, nxpk= 15, iat=  25,  37, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 ILE  HG1-          3 ILE  HN          3.50    (#      4:15  Unique         2.79, 3.49 A)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1,  37, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  47,  48,
 &end
#
#    3 ILE  HG1+          3 ILE  HN          3.50    (#      5:15  Unique         2.79, 3.49 A)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1,  37, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  47,  48,
 &end
#
#    2 VAL  MGX           3 ILE  HN          3.50    (#      6:15  Unique         1.97, 3.81 A)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1,  37, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#    2 VAL  MGY           3 ILE  HN          2.80    (#      7:15  Unique         1.97, 3.81 A)
 &rst
  ixpk= 7, nxpk= 15, iat=  -1,  37, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#    3 ILE  MD1           3 ILE  HN          4.50    (#      8:15  Unique         4.16, 4.61 A)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1,  37, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  50,  51,  52,
 &end
#
#    3 ILE  MG2           3 ILE  HN          4.50    (#      9:15  Unique         4.55, 4.75 A)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1,  37, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  43,  44,  45,
 &end
#
#    3 ILE  MD1           4 SER  HN          3.50    (#     10:15  Unique         3.65, 4.65 A)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  50,  51,  52,
 &end
#
#    3 ILE  MG2           4 SER  HN          2.80    (#     11:15  Unique         2.22, 2.71 A)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  43,  44,  45,
 &end
#
#    0 AMB  15-2:12       4 SER  HN          2.80    (#     12:15  Single Ambig)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 900, 901, 902, 904, 905, 906,  77,  78,
 &end
#
#    0 AMB  15-2:14       4 SER  HN          4.50    (#     14:15  Single Ambig)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  77,  78,  47,  48,
 &end
#
#    3 ILE  HB            4 SER  HN          4.50    (#     15:15  Unique         3.63, 3.64 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  41,  56, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 SER  HB-           4 SER  HN          3.50    (#     16:15  Unique         3.19, 3.62 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  60,  61,
 &end
#
#    4 SER  HB+           4 SER  HN          4.50    (#     17:15  Unique         3.19, 3.62 A)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1,  56, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  60,  61,
 &end
#
#    4 SER  HA            4 SER  HN          3.50    (#     18:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 18, nxpk= 15, iat=  58,  56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 ILE  HA            4 SER  HN          2.80    (#     20:15  Unique         2.31, 2.32 A)
 &rst
  ixpk= 20, nxpk= 15, iat=  39,  56, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 ASN  HA            4 SER  HN          4.50    (#     21:15  Unique         3.42, 3.65 A)
 &rst
  ixpk= 21, nxpk= 15, iat= 912,  56, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 ALA  HA            4 SER  HN          5.50    (#     22:15  Unique         4.32, 4.43 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 886,  56, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 VAL  HA            4 SER  HN          5.50    (#     23:15  Unique         4.86, 5.03 A)
 &rst
  ixpk= 23, nxpk= 15, iat= 896,  56, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 VAL  HN            4 SER  HN          3.50    (#     24:15  Unique         3.40, 3.50 A)
 &rst
  ixpk= 24, nxpk= 15, iat= 894,  56, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ILE  MG2           5 ILE  HN          4.50    (#     25:15  Unique         4.49, 4.73 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  73,  74,  75,
 &end
#
#    5 ILE  MD1           5 ILE  HN          4.50    (#     26:15  Unique         3.56, 4.46 A)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  80,  81,  82,
 &end
#
#    5 ILE  HG1+          5 ILE  HN          2.80    (#     27:15  Unique         2.56, 3.43 A)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  77,  78,
 &end
#
#    5 ILE  HG1-          5 ILE  HN          3.50    (#     28:15  Unique         2.56, 3.43 A)
 &rst
  ixpk= 28, nxpk= 15, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  77,  78,
 &end
#
#    5 ILE  HB            5 ILE  HN          2.80    (#     29:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  71,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 SER  HB-           5 ILE  HN          2.80    (#     30:15  Unique         2.60, 2.90 A)
 &rst
  ixpk= 30, nxpk= 15, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  60,  61,
 &end
#
#    4 SER  HB+           5 ILE  HN          2.80    (#     31:15  Unique         2.60, 2.90 A)
 &rst
  ixpk= 31, nxpk= 15, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  60,  61,
 &end
#
#    4 SER  HA            5 ILE  HN          2.80    (#     32:15  Unique         2.34, 2.42 A)
 &rst
  ixpk= 32, nxpk= 15, iat=  58,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    5 ILE  HA            5 ILE  HN          3.50    (#     33:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 33, nxpk= 15, iat=  69,  67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 SER  HN            5 ILE  HN          5.50    (#     34:15  Unique         4.36, 4.38 A)
 &rst
  ixpk= 34, nxpk= 15, iat=  56,  67, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 ILE  MG2           6 ARG  HN          2.80    (#     35:15  Unique         2.24, 3.16 A)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  73,  74,  75,
 &end
#
#    5 ILE  MD1           6 ARG  HN          5.50    (#     36:15  Unique         3.73, 4.76 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  80,  81,  82,
 &end
#
#    0 AMB  15-2:37       6 ARG  HN          4.50    (#     37:15  Single Ambig)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 900, 901, 902, 904, 905, 906,1428,1429,1430,1432,
      1433,1434,
 &end
#
#   54 VAL  MGX           6 ARG  HN          3.50    (#     38:15  Unique         2.92, 5.14 A)
 &rst
  ixpk= 38, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  15-2:39       6 ARG  HN          3.50    (#     39:15  Single Ambig)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 900, 901, 902, 904, 905, 906,  77,  78, 117, 118,
      
 &end
#
#   54 VAL  MGY           6 ARG  HN          4.50    (#     40:15  Unique         2.92, 5.14 A)
 &rst
  ixpk= 40, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#    6 ARG  HG-           6 ARG  HN          3.50    (#     41:15  Unique         2.07, 2.87 A)
 &rst
  ixpk= 41, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  93,  94,
 &end
#
#    6 ARG  HG+           6 ARG  HN          2.80    (#     42:15  Unique         2.07, 2.87 A)
 &rst
  ixpk= 42, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  93,  94,
 &end
#
#    6 ARG  HB-           6 ARG  HN          5.50    (#     43:15  Unique         3.23, 3.60 A)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  90,  91,
 &end
#
#    6 ARG  HB+           6 ARG  HN          4.50    (#     44:15  Unique         3.23, 3.60 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  90,  91,
 &end
#
#    0 AMB  15-2:45       6 ARG  HN          5.50    (#     45:15  Single Ambig)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  96,  97,  96,  97,
 &end
#
#  142 LEU  HG          142 LEU  HN          2.80    (#     46:15  Unique         2.23, 2.31 A)
 &rst
  ixpk= 46, nxpk= 15, iat=2217,2210, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 ARG  HA            6 ARG  HN          3.50    (#     47:15  Unique         2.89, 2.92 A)
 &rst
  ixpk= 47, nxpk= 15, iat=  88,  86, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ILE  HA            6 ARG  HN          2.80    (#     48:15  Unique         2.17, 2.20 A)
 &rst
  ixpk= 48, nxpk= 15, iat=  69,  86, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 VAL  HN            6 ARG  HN          3.50    (#     50:15  Unique         2.49, 2.57 A)
 &rst
  ixpk= 50, nxpk= 15, iat= 868,  86, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 ARG  HG-           7 ARG  HN          2.80    (#     51:15  Unique         2.61, 2.99 A)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 117, 118,
 &end
#
#    6 ARG  HG-           7 ARG  HN          5.50    (#     52:15  Unique         2.63, 3.65 A)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  93,  94,
 &end
#
#    0 AMB  15-2:53       7 ARG  HN          2.80    (#     53:15  Single Ambig)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,  93,  94,
 &end
#
#    7 ARG  HB-           7 ARG  HN          2.80    (#     54:15  Unique         2.52, 3.11 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 114, 115,
 &end
#
#    0 AMB  15-2:55       7 ARG  HN          2.80    (#     55:15  Single Ambig)
 &rst
  ixpk= 55, nxpk= 15, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  90,  91, 114, 115,
 &end
#
#    6 ARG  HB+           7 ARG  HN          2.80    (#     56:15  Unique         1.92, 2.72 A)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  90,  91,
 &end
#
#    0 AMB  15-2:57       7 ARG  HN          3.50    (#     57:15  Single Ambig)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  96,  97,  96,  97,
 &end
#
#    7 ARG  HA            7 ARG  HN          3.50    (#     58:15  Unique         2.92, 2.93 A)
 &rst
  ixpk= 58, nxpk= 15, iat= 112, 110, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 ARG  HA            7 ARG  HN          2.80    (#     59:15  Unique         2.65, 2.69 A)
 &rst
  ixpk= 59, nxpk= 15, iat=  88, 110, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 TRP  HZ3           7 ARG  HN          4.50    (#     60:15  Unique         4.35, 4.50 A)
 &rst
  ixpk= 60, nxpk= 15, iat= 861, 110, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 SER  HN            7 ARG  HN          4.50    (#     61:15  Unique         4.54, 4.55 A)
 &rst
  ixpk= 61, nxpk= 15, iat= 134, 110, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 VAL  MGX           8 SER  HN          3.50    (#     62:15  Unique         3.00, 4.74 A)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  MGY           8 SER  HN          5.50    (#     63:15  Unique         3.00, 4.74 A)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  15-2:64       8 SER  HN          4.50    (#     64:15  Single Ambig)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 117, 118,  93,  94, 829, 830,
 &end
#
#    7 ARG  HB-           8 SER  HN          2.80    (#     65:15  Unique         2.91, 3.42 A)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 114, 115,
 &end
#
#    0 AMB  15-2:66       0 AMB  15-1:66     2.80    (#     66:15  Double Ambig)
 &rst
  ixpk= 66, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 568, 569, 114, 115,
 igr2= 588, 134,
 &end
#
#    0 AMB  15-2:67       0 AMB  15-1:67     4.50    (#     67:15  Double Ambig)
 &rst
  ixpk= 67, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 120, 121, 535, 536,
 igr2= 134, 588,
 &end
#
#   36 ARG  HB-          37 THR  HN          3.50    (#     68:15  Unique         2.79, 3.47 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 568, 569,
 &end
#
#    8 SER  HB-           8 SER  HN          2.80    (#     69:15  Unique         2.18, 2.90 A)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 138, 139,
 &end
#
#    8 SER  HB+           8 SER  HN          3.50    (#     70:15  Unique         2.18, 2.90 A)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 138, 139,
 &end
#
#    8 SER  HA            8 SER  HN          2.80    (#     71:15  Unique         2.85, 2.89 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 136, 134, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 ARG  HA            8 SER  HN          2.80    (#     72:15  Unique         2.22, 2.23 A)
 &rst
  ixpk= 72, nxpk= 15, iat= 112, 134, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 TRP  HA            8 SER  HN          3.50    (#     74:15  Unique         2.78, 2.91 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 846, 134, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 VAL  HN            8 SER  HN          5.50    (#     76:15  Unique         4.26, 4.33 A)
 &rst
  ixpk= 76, nxpk= 15, iat= 868, 134, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 ARG  HN            8 SER  HN          5.50    (#     77:15  Unique         4.45, 4.51 A)
 &rst
  ixpk= 77, nxpk= 15, iat= 145, 134, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 ARG  HN            8 SER  HN          4.50    (#     78:15  Unique         4.54, 4.55 A)
 &rst
  ixpk= 78, nxpk= 15, iat= 110, 134, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 ARG  HG-           8 SER  HN          4.50    (#     79:15  Unique         4.67, 5.01 A)
 &rst
  ixpk= 79, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 117, 118,
 &end
#
#    0 AMB  15-2:80       9 ARG  HN          4.50    (#     80:15  Single Ambig)
 &rst
  ixpk= 80, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#   54 VAL  MGX           9 ARG  HN          4.50    (#     81:15  Unique         4.34, 5.58 A)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  15-2:82       9 ARG  HN          2.80    (#     82:15  Single Ambig)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 149, 150, 152, 153, 152, 153,
 &end
#
#    9 ARG  HB+           9 ARG  HN          3.50    (#     83:15  Unique         2.29, 3.20 A)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 149, 150,
 &end
#
#   12 GLU  HB-           9 ARG  HN          5.50    (#     84:15  Unique         1.94, 4.26 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 205, 206,
 &end
#
#   12 GLU  HG-           9 ARG  HN          4.50    (#     85:15  Unique         1.95, 2.40 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 208, 209,
 &end
#
#   12 GLU  HB+           9 ARG  HN          5.50    (#     86:15  Unique         1.94, 4.26 A)
 &rst
  ixpk= 86, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 205, 206,
 &end
#
#   12 GLU  HG+           9 ARG  HN          3.50    (#     87:15  Unique         1.95, 2.40 A)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 208, 209,
 &end
#
#    8 SER  HB-           9 ARG  HN          3.50    (#     88:15  Unique         2.22, 3.18 A)
 &rst
  ixpk= 88, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 138, 139,
 &end
#
#    8 SER  HB+           9 ARG  HN          2.80    (#     89:15  Unique         2.22, 3.18 A)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 138, 139,
 &end
#
#    8 SER  HA            9 ARG  HN          2.80    (#     90:15  Unique         2.27, 2.55 A)
 &rst
  ixpk= 90, nxpk= 15, iat= 136, 145, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    9 ARG  HA            9 ARG  HN          3.50    (#     91:15  Unique         2.91, 2.94 A)
 &rst
  ixpk= 91, nxpk= 15, iat= 147, 145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 GLU  HN            9 ARG  HN          5.50    (#     94:15  Unique         3.70, 3.90 A)
 &rst
  ixpk= 94, nxpk= 15, iat= 201, 145, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 ARG  HB-          11 GLU  HN          4.50    (#     95:15  Unique         2.15, 2.65 A)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 149, 150,
 &end
#
#    0 AMB  15-2:96      11 GLU  HN          2.80    (#     96:15  Single Ambig)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 190, 191, 190, 191,
 &end
#
#    0 AMB  15-2:97      11 GLU  HN          3.50    (#     97:15  Single Ambig)
 &rst
  ixpk= 97, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 193, 194, 193, 194,
 &end
#
#   10 HIS  HB-          11 GLU  HN          4.50    (#     98:15  Unique         3.03, 4.03 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 173, 174,
 &end
#
#    0 AMB  15-2:99      11 GLU  HN          4.50    (#     99:15  Single Ambig)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 173, 174, 155, 156,
 &end
#
#   10 HIS  HA           11 GLU  HN          4.50    (#    100:15  Unique         3.25, 3.28 A)
 &rst
  ixpk= 100, nxpk= 15, iat= 171, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 GLU  HN           11 GLU  HN          4.50    (#    102:15  Unique         1.88, 1.92 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 201, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLU  HA           11 GLU  HN          3.50    (#    103:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 103, nxpk= 15, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 ARG  HB-          12 GLU  HN          2.80    (#    104:15  Unique         2.00, 2.65 A)
 &rst
  ixpk= 104, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 149, 150,
 &end
#
#   12 GLU  HB-          12 GLU  HN          2.80    (#    105:15  Unique         2.15, 3.02 A)
 &rst
  ixpk= 105, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 205, 206,
 &end
#
#    0 AMB  15-2:106     12 GLU  HN          2.80    (#    106:15  Single Ambig)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 149, 150, 190, 191,
 &end
#
#    0 AMB  15-2:107     12 GLU  HN          2.80    (#    107:15  Single Ambig)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 201, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 205, 206, 193, 194, 193, 194,
 &end
#
#    0 AMB  15-2:108      0 AMB  15-1:108    2.80    (#    108:15  Double Ambig)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 655, 656, 208, 209,
 igr2= 651, 201,
 &end
#
#    0 AMB  15-2:109      0 AMB  15-1:109    4.50    (#    109:15  Double Ambig)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 619, 218, 219, 138, 139,
 igr2= 651, 201,
 &end
#
#   11 GLU  HA           12 GLU  HN          3.50    (#    110:15  Unique         3.46, 3.50 A)
 &rst
  ixpk= 110, nxpk= 15, iat= 188, 201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 GLU  HA           12 GLU  HN          2.80    (#    111:15  Unique         2.76, 2.87 A)
 &rst
  ixpk= 111, nxpk= 15, iat= 203, 201, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:112      0 AMB  15-1:112    2.80    (#    112:15  Double Ambig)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 216, 636,
 igr2= 201, 651,
 &end
#
#   11 GLU  HN           12 GLU  HN          3.50    (#    113:15  Unique         1.88, 1.92 A)
 &rst
  ixpk= 113, nxpk= 15, iat= 186, 201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:114      0 AMB  15-1:114    2.80    (#    114:15  Double Ambig)
 &rst
  ixpk= 114, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 208, 209, 640, 641, 640, 641,
 igr2= 201, 651,
 &end
#
#    0 AMB  15-2:115     13 GLY  HN          4.50    (#    115:15  Single Ambig)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#   48 PRO  HB-          13 GLY  HN          5.50    (#    116:15  Unique         3.54, 4.05 A)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 779, 780,
 &end
#
#   12 GLU  HB-          13 GLY  HN          4.50    (#    117:15  Unique         3.22, 4.24 A)
 &rst
  ixpk= 117, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 205, 206,
 &end
#
#    0 AMB  15-2:119     13 GLY  HN          4.50    (#    119:15  Single Ambig)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 227, 228, 227, 228, 242, 243,
 &end
#
#    0 AMB  15-2:120     13 GLY  HN          3.50    (#    120:15  Single Ambig)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 205, 206, 193, 194, 193, 194,
 &end
#
#   12 GLU  HG+          13 GLY  HN          5.50    (#    121:15  Unique         2.74, 3.76 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 208, 209,
 &end
#
#   13 GLY  HA-          13 GLY  HN          2.80    (#    122:15  Unique         2.30, 2.53 A)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 218, 219,
 &end
#
#   13 GLY  HA+          13 GLY  HN          2.80    (#    123:15  Unique         2.30, 2.53 A)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 218, 219,
 &end
#
#   48 PRO  HA           13 GLY  HN          3.50    (#    124:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 124, nxpk= 15, iat= 782, 216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 HIS  HA           13 GLY  HN          4.50    (#    125:15  Unique         4.13, 4.24 A)
 &rst
  ixpk= 125, nxpk= 15, iat= 171, 216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLU  HA           13 GLY  HN          3.50    (#    126:15  Unique         3.54, 3.56 A)
 &rst
  ixpk= 126, nxpk= 15, iat= 188, 216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 GLU  HA           13 GLY  HN          3.50    (#    127:15  Unique         3.21, 3.28 A)
 &rst
  ixpk= 127, nxpk= 15, iat= 203, 216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 GLU  HN           13 GLY  HN          2.80    (#    128:15  Unique         2.54, 2.57 A)
 &rst
  ixpk= 128, nxpk= 15, iat= 201, 216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 GLU  HN           13 GLY  HN          3.50    (#    129:15  Unique         2.74, 2.81 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 223, 216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLU  HN           13 GLY  HN          5.50    (#    130:15  Unique         4.56, 4.70 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 238, 216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 LEU  HN           13 GLY  HN          5.50    (#    131:15  Unique         4.85, 5.17 A)
 &rst
  ixpk= 131, nxpk= 15, iat= 253, 216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:133     14 GLU  HN          2.80    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 223, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 227, 228, 227, 228,
 &end
#
#   14 GLU  HG+          14 GLU  HN          2.80    (#    134:15  Unique         2.10, 2.90 A)
 &rst
  ixpk= 134, nxpk= 15, iat=  -1, 223, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 230, 231,
 &end
#
#   13 GLY  HA-          14 GLU  HN          3.50    (#    135:15  Unique         2.78, 3.23 A)
 &rst
  ixpk= 135, nxpk= 15, iat=  -1, 223, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 218, 219,
 &end
#
#   13 GLY  HA+          14 GLU  HN          2.80    (#    136:15  Unique         2.78, 3.23 A)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 223, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 218, 219,
 &end
#
#   14 GLU  HA           14 GLU  HN          2.80    (#    137:15  Unique         2.77, 2.77 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 225, 223, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 GLU  HA           14 GLU  HN          4.50    (#    139:15  Unique         3.27, 3.45 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 203, 223, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 GLY  HN           14 GLU  HN          3.50    (#    140:15  Unique         2.74, 2.81 A)
 &rst
  ixpk= 140, nxpk= 15, iat= 216, 223, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLU  HN           14 GLU  HN          2.80    (#    141:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 141, nxpk= 15, iat= 238, 223, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 GLU  HG-          14 GLU  HN          2.80    (#    142:15  Unique         2.10, 2.90 A)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 223, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 230, 231,
 &end
#
#    0 AMB  15-2:146     89 ARG  HN          2.80    (#    146:15  Single Ambig)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1383,1384,1383,1384,
 &end
#
#   15 GLU  HG-          15 GLU  HN          2.80    (#    147:15  Unique         2.02, 2.89 A)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 238, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 245, 246,
 &end
#
#   15 GLU  HG+          15 GLU  HN          3.50    (#    148:15  Unique         2.02, 2.89 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1, 238, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 245, 246,
 &end
#
#    0 AMB  15-2:149     15 GLU  HN          2.80    (#    149:15  Single Ambig)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1, 238, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 242, 243, 227, 228, 227, 228,
 &end
#
#    0 AMB  15-2:150      0 AMB  15-1:150    2.80    (#    150:15  Double Ambig)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 240,1351,1352,
 igr2= 238,1379,
 &end
#
#    0 AMB  15-2:151      0 AMB  15-1:151    2.80    (#    151:15  Double Ambig)
 &rst
  ixpk= 151, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1381, 225,
 igr2=1379, 238,
 &end
#
#   12 GLU  HA           15 GLU  HN          4.50    (#    152:15  Unique         3.25, 3.63 A)
 &rst
  ixpk= 152, nxpk= 15, iat= 203, 238, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 LEU  HN           15 GLU  HN          2.80    (#    153:15  Unique         2.68, 2.70 A)
 &rst
  ixpk= 153, nxpk= 15, iat= 253, 238, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 GLU  HN           15 GLU  HN          2.80    (#    154:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 154, nxpk= 15, iat= 223, 238, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:155      0 AMB  15-1:155    2.80    (#    155:15  Double Ambig)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 304, 305, 306,1362,1363,1364,1366,1367,1368,
 igr2= 317,1379,
 &end
#
#   20 TRP  HB-          20 TRP  HN          2.80    (#    157:15  Unique         2.31, 2.54 A)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1, 317, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 321, 322,
 &end
#
#    0 AMB  15-2:158      0 AMB  15-1:158    2.80    (#    158:15  Double Ambig)
 &rst
  ixpk= 158, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 319,1374,1375, 274,
 igr2= 317,1379,
 &end
#
#   19 ILE  HA           20 TRP  HN          4.50    (#    159:15  Unique         3.56, 3.56 A)
 &rst
  ixpk= 159, nxpk= 15, iat= 300, 317, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 TRP  HB+          20 TRP  HN          2.80    (#    160:15  Unique         2.31, 2.54 A)
 &rst
  ixpk= 160, nxpk= 15, iat=  -1, 317, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 321, 322,
 &end
#
#    0 AMB  15-2:161     89 ARG  HN          4.50    (#    161:15  Single Ambig)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1389,1390,1389,1390,
 &end
#
#   65 PHE  HE           20 TRP  HN          5.50    (#    163:15  Unique         2.84, 5.11 A)
 &rst
  ixpk= 163, nxpk= 15, iat=  -1, 317, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1039,1043,
 &end
#
#   19 ILE  HN           20 TRP  HN          2.80    (#    165:15  Unique         2.77, 2.80 A)
 &rst
  ixpk= 165, nxpk= 15, iat= 298, 317, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 VAL  HN           89 ARG  HN          2.80    (#    166:15  Unique         2.13, 2.16 A)
 &rst
  ixpk= 166, nxpk= 15, iat=1403,1379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   21 CYS  HN           20 TRP  HN          3.50    (#    167:15  Unique         2.69, 2.73 A)
 &rst
  ixpk= 167, nxpk= 15, iat= 341, 317, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 GLY  HA+          89 ARG  HN          3.50    (#    168:15  Unique         2.96, 3.23 A)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   15 GLU  HB+          15 GLU  HN          2.80    (#    169:15  Unique         2.21, 3.00 A)
 &rst
  ixpk= 169, nxpk= 15, iat=  -1, 238, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 242, 243,
 &end
#
#   47 LEU  MDX          16 LEU  HN          5.50    (#    171:15  Unique         5.01, 6.59 A)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  15-2:172     16 LEU  HN          2.80    (#    172:15  Single Ambig)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 262, 263, 264, 266, 267, 268, 262, 263, 264, 266,
       267, 268,
 &end
#
#   16 LEU  HB-          16 LEU  HN          2.80    (#    173:15  Unique         2.80, 3.19 A)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 257, 258,
 &end
#
#    0 AMB  15-2:174     16 LEU  HN          4.50    (#    174:15  Single Ambig)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#   16 LEU  HB+          16 LEU  HN          2.80    (#    175:15  Unique         2.80, 3.19 A)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 257, 258,
 &end
#
#   16 LEU  HG           16 LEU  HN          2.80    (#    176:15  Unique         1.93, 1.96 A)
 &rst
  ixpk= 176, nxpk= 15, iat= 260, 253, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:177     16 LEU  HN          4.50    (#    177:15  Single Ambig)
 &rst
  ixpk= 177, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 999,1000, 996, 997,
 &end
#
#   15 GLU  HB-          16 LEU  HN          3.50    (#    178:15  Unique         2.83, 3.31 A)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 242, 243,
 &end
#
#   15 GLU  HB+          16 LEU  HN          2.80    (#    179:15  Unique         2.83, 3.31 A)
 &rst
  ixpk= 179, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 242, 243,
 &end
#
#   13 GLY  HA-          16 LEU  HN          4.50    (#    180:15  Unique         3.27, 3.90 A)
 &rst
  ixpk= 180, nxpk= 15, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 218, 219,
 &end
#
#   14 GLU  HA           16 LEU  HN          4.50    (#    181:15  Unique         4.02, 4.09 A)
 &rst
  ixpk= 181, nxpk= 15, iat= 225, 253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 LEU  HA           16 LEU  HN          3.50    (#    182:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 182, nxpk= 15, iat= 255, 253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLU  HA           16 LEU  HN          4.50    (#    183:15  Unique         3.48, 3.49 A)
 &rst
  ixpk= 183, nxpk= 15, iat= 240, 253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   18 ALA  HN           16 LEU  HN          4.50    (#    184:15  Unique         3.95, 3.97 A)
 &rst
  ixpk= 184, nxpk= 15, iat= 288, 253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLU  HN           16 LEU  HN          2.80    (#    185:15  Unique         2.68, 2.70 A)
 &rst
  ixpk= 185, nxpk= 15, iat= 238, 253, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 VAL  HN           16 LEU  HN          2.80    (#    186:15  Unique         2.56, 2.59 A)
 &rst
  ixpk= 186, nxpk= 15, iat= 272, 253, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:187     17 VAL  HN          2.80    (#    187:15  Single Ambig)
 &rst
  ixpk= 187, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#    0 AMB  15-2:188     17 VAL  HN          4.50    (#    188:15  Single Ambig)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 762, 763, 764, 766, 767, 768, 762, 763, 764, 766,
       767, 768,
 &end
#
#   16 LEU  HB-          17 VAL  HN          3.50    (#    189:15  Unique         2.36, 3.07 A)
 &rst
  ixpk= 189, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 257, 258,
 &end
#
#    0 AMB  15-2:190     17 VAL  HN          4.50    (#    190:15  Single Ambig)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 292, 293, 294, 705, 706, 705, 706,
 &end
#
#   16 LEU  HB+          17 VAL  HN          2.80    (#    191:15  Unique         2.36, 3.07 A)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 257, 258,
 &end
#
#   16 LEU  HG           17 VAL  HN          4.50    (#    192:15  Unique         3.56, 3.59 A)
 &rst
  ixpk= 192, nxpk= 15, iat= 260, 272, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 VAL  HB           17 VAL  HN          2.80    (#    194:15  Unique         2.51, 2.54 A)
 &rst
  ixpk= 194, nxpk= 15, iat= 276, 272, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 VAL  HA           17 VAL  HN          2.80    (#    195:15  Unique         2.75, 2.75 A)
 &rst
  ixpk= 195, nxpk= 15, iat= 274, 272, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 GLU  HA           17 VAL  HN          3.50    (#    196:15  Unique         3.39, 3.45 A)
 &rst
  ixpk= 196, nxpk= 15, iat= 225, 272, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 LEU  HA           17 VAL  HN          4.50    (#    197:15  Unique         3.56, 3.56 A)
 &rst
  ixpk= 197, nxpk= 15, iat= 255, 272, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:198      0 AMB  15-1:198    4.50    (#    198:15  Double Ambig)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 240,2082,2083, 290,
 igr2= 272,2061,
 &end
#
#    0 AMB  15-2:199     17 VAL  HN          4.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 272, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 779, 780, 242, 243, 230, 231,
 &end
#
#   16 LEU  HN           17 VAL  HN          2.80    (#    200:15  Unique         2.56, 2.59 A)
 &rst
  ixpk= 200, nxpk= 15, iat= 253, 272, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   18 ALA  HN           17 VAL  HN          2.80    (#    201:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 201, nxpk= 15, iat= 288, 272, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:202     18 ALA  HN          2.80    (#    202:15  Single Ambig)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1, 288, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#   18 ALA  MB           18 ALA  HN          2.80    (#    203:15  Unique         2.09, 2.87 A)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1, 288, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 292, 293, 294,
 &end
#
#   17 VAL  HB           18 ALA  HN          2.80    (#    206:15  Unique         2.64, 2.72 A)
 &rst
  ixpk= 206, nxpk= 15, iat= 276, 288, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 VAL  HA           18 ALA  HN          4.50    (#    207:15  Unique         3.52, 3.52 A)
 &rst
  ixpk= 207, nxpk= 15, iat= 274, 288, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 GLU  HA           18 ALA  HN          4.50    (#    208:15  Unique         4.14, 4.28 A)
 &rst
  ixpk= 208, nxpk= 15, iat= 225, 288, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:209     18 ALA  HN          2.80    (#    209:15  Single Ambig)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 288, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 290, 240,
 &end
#
#   19 ILE  HN           18 ALA  HN          2.80    (#    210:15  Unique         2.67, 2.70 A)
 &rst
  ixpk= 210, nxpk= 15, iat= 298, 288, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 VAL  HN           18 ALA  HN          2.80    (#    211:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 211, nxpk= 15, iat= 272, 288, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 LEU  HA           18 ALA  HN          5.50    (#    212:15  Unique         4.13, 4.17 A)
 &rst
  ixpk= 212, nxpk= 15, iat= 255, 288, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:214     18 ALA  HN          5.50    (#    214:15  Single Ambig)
 &rst
  ixpk= 214, nxpk= 15, iat=  -1, 288, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 257, 258, 262, 263, 264, 266, 267, 268,
 &end
#
#   19 ILE  MD1          18 ALA  HN          5.50    (#    215:15  Unique         4.92, 5.68 A)
 &rst
  ixpk= 215, nxpk= 15, iat=  -1, 288, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 311, 312, 313,
 &end
#
#   19 ILE  MD1          19 ILE  HN          3.50    (#    218:15  Unique         3.27, 3.81 A)
 &rst
  ixpk= 218, nxpk= 15, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 311, 312, 313,
 &end
#
#   19 ILE  HG1-         19 ILE  HN          2.80    (#    220:15  Unique         2.45, 3.28 A)
 &rst
  ixpk= 220, nxpk= 15, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 308, 309,
 &end
#
#   18 ALA  MB           19 ILE  HN          2.80    (#    221:15  Unique         2.94, 3.43 A)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 292, 293, 294,
 &end
#
#    0 AMB  15-2:222     61 GLN  HN          4.50    (#    222:15  Single Ambig)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 982, 983, 982, 983,
 &end
#
#    0 AMB  15-2:223     61 GLN  HN          2.80    (#    223:15  Single Ambig)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 979, 980, 979, 980,
 &end
#
#   19 ILE  HG1+         19 ILE  HN          2.80    (#    224:15  Unique         2.45, 3.28 A)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 308, 309,
 &end
#
#   19 ILE  HB           19 ILE  HN          2.80    (#    225:15  Unique         2.36, 2.38 A)
 &rst
  ixpk= 225, nxpk= 15, iat= 302, 298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:226     19 ILE  HN          5.50    (#    226:15  Single Ambig)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 274, 319,
 &end
#
#   19 ILE  HA           19 ILE  HN          3.50    (#    227:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 227, nxpk= 15, iat= 300, 298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 LEU  HA           19 ILE  HN          3.50    (#    228:15  Unique         3.36, 3.38 A)
 &rst
  ixpk= 228, nxpk= 15, iat= 255, 298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:229     19 ILE  HN          4.50    (#    229:15  Single Ambig)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 290, 240,
 &end
#
#   61 GLN  HA           61 GLN  HN          3.50    (#    230:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 230, nxpk= 15, iat= 977, 975, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  HN           19 ILE  HN          2.80    (#    231:15  Unique         2.67, 2.70 A)
 &rst
  ixpk= 231, nxpk= 15, iat= 288, 298, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   20 TRP  HN           19 ILE  HN          3.50    (#    232:15  Unique         2.77, 2.80 A)
 &rst
  ixpk= 232, nxpk= 15, iat= 317, 298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 ASP  HN           61 GLN  HN          2.80    (#    233:15  Unique         2.51, 2.62 A)
 &rst
  ixpk= 233, nxpk= 15, iat= 963, 975, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  HB           61 GLN  HN          2.80    (#    234:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 234, nxpk= 15, iat= 898, 975, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  MGY          61 GLN  HN          4.50    (#    235:15  Unique         3.93, 4.93 A)
 &rst
  ixpk= 235, nxpk= 15, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#   60 ASP  HA           61 GLN  HN          2.80    (#    236:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 236, nxpk= 15, iat= 965, 975, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  HA           61 GLN  HN          5.50    (#    237:15  Unique         3.55, 3.68 A)
 &rst
  ixpk= 237, nxpk= 15, iat= 896, 975, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ASN  HD2-         61 GLN  HN          4.50    (#    239:15  Unique         2.02, 2.85 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 919, 920,
 &end
#
#   21 CYS  HB-          21 CYS  HN          4.50    (#    240:15  Unique         2.14, 2.56 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 341, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 345, 346,
 &end
#
#   21 CYS  HB+          21 CYS  HN          4.50    (#    241:15  Unique         2.14, 2.56 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1, 341, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 345, 346,
 &end
#
#   21 CYS  HA           21 CYS  HN          3.50    (#    242:15  Unique         2.81, 2.86 A)
 &rst
  ixpk= 242, nxpk= 15, iat= 343, 341, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 TRP  HB+          21 CYS  HN          4.50    (#    243:15  Unique         2.78, 3.45 A)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1, 341, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 321, 322,
 &end
#
#   18 ALA  HA           21 CYS  HN          5.50    (#    244:15  Unique         3.49, 3.52 A)
 &rst
  ixpk= 244, nxpk= 15, iat= 290, 341, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 TRP  HZ3          21 CYS  HN          4.50    (#    245:15  Unique         4.52, 4.54 A)
 &rst
  ixpk= 245, nxpk= 15, iat= 334, 341, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 TRP  HN           21 CYS  HN          4.50    (#    246:15  Unique         2.69, 2.73 A)
 &rst
  ixpk= 246, nxpk= 15, iat= 317, 341, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ARG  HN           21 CYS  HN          4.50    (#    247:15  Unique         2.39, 2.48 A)
 &rst
  ixpk= 247, nxpk= 15, iat= 352, 341, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 TRP  HB-          21 CYS  HN          4.50    (#    248:15  Unique         2.78, 3.45 A)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 341, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 321, 322,
 &end
#
#    0 AMB  15-2:249     22 ARG  HN          3.50    (#    249:15  Single Ambig)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 356, 357, 359, 360,
 &end
#
#   22 ARG  HB+          22 ARG  HN          3.50    (#    250:15  Unique         2.18, 2.97 A)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 356, 357,
 &end
#
#   22 ARG  HG+          22 ARG  HN          3.50    (#    251:15  Unique         2.33, 3.15 A)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 359, 360,
 &end
#
#   21 CYS  HB-          22 ARG  HN          4.50    (#    252:15  Unique         2.73, 3.51 A)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 345, 346,
 &end
#
#   21 CYS  HB+          22 ARG  HN          3.50    (#    253:15  Unique         2.73, 3.51 A)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 345, 346,
 &end
#
#   21 CYS  HA           22 ARG  HN          5.50    (#    254:15  Unique         3.38, 3.45 A)
 &rst
  ixpk= 254, nxpk= 15, iat= 343, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:255     22 ARG  HN          4.50    (#    255:15  Single Ambig)
 &rst
  ixpk= 255, nxpk= 15, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 354, 380, 381,
 &end
#
#   18 ALA  HA           22 ARG  HN          5.50    (#    256:15  Unique         4.28, 4.48 A)
 &rst
  ixpk= 256, nxpk= 15, iat= 290, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 SER  HN           22 ARG  HN          4.50    (#    257:15  Unique         2.23, 2.37 A)
 &rst
  ixpk= 257, nxpk= 15, iat= 376, 352, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 CYS  HN           22 ARG  HN          4.50    (#    258:15  Unique         2.39, 2.48 A)
 &rst
  ixpk= 258, nxpk= 15, iat= 341, 352, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:259     23 SER  HN          4.50    (#    259:15  Single Ambig)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1, 376, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 359, 360, 356, 357,
 &end
#
#   22 ARG  HB+          23 SER  HN          4.50    (#    260:15  Unique         2.92, 3.63 A)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1, 376, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 356, 357,
 &end
#
#   20 TRP  HA           23 SER  HN          5.50    (#    261:15  Unique         3.21, 3.52 A)
 &rst
  ixpk= 261, nxpk= 15, iat= 319, 376, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 ILE  HA           23 SER  HN          7.00    (#    262:15  Unique         3.86, 4.51 A)
 &rst
  ixpk= 262, nxpk= 15, iat= 300, 376, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   80 PRO  HD-          23 SER  HN          5.50    (#    263:15  Unique         3.44, 4.56 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 376, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1266,1267,
 &end
#
#   23 SER  HB-          23 SER  HN          3.50    (#    264:15  Unique         2.14, 2.66 A)
 &rst
  ixpk= 264, nxpk= 15, iat=  -1, 376, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 380, 381,
 &end
#
#   23 SER  HB+          23 SER  HN          3.50    (#    265:15  Unique         2.14, 2.66 A)
 &rst
  ixpk= 265, nxpk= 15, iat=  -1, 376, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 380, 381,
 &end
#
#   23 SER  HA           23 SER  HN          3.50    (#    266:15  Unique         2.85, 2.89 A)
 &rst
  ixpk= 266, nxpk= 15, iat= 378, 376, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ARG  HN           23 SER  HN          3.50    (#    267:15  Unique         2.23, 2.37 A)
 &rst
  ixpk= 267, nxpk= 15, iat= 352, 376, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ARG  HE           23 SER  HN          5.50    (#    268:15  Unique         4.86, 5.42 A)
 &rst
  ixpk= 268, nxpk= 15, iat= 365, 376, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 ASP  HA           29 ASP  HN          3.50    (#    269:15  Unique         2.75, 2.85 A)
 &rst
  ixpk= 269, nxpk= 15, iat= 458, 456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 ASP  HB-          29 ASP  HN          3.50    (#    270:15  Unique         2.08, 2.78 A)
 &rst
  ixpk= 270, nxpk= 15, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 460, 461,
 &end
#
#   29 ASP  HB+          29 ASP  HN          5.50    (#    271:15  Unique         2.08, 2.78 A)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 460, 461,
 &end
#
#   28 HIS  HA           29 ASP  HN          3.50    (#    272:15  Unique         2.41, 2.61 A)
 &rst
  ixpk= 272, nxpk= 15, iat= 441, 456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 THR  HA           29 ASP  HN          4.50    (#    273:15  Unique         3.62, 4.04 A)
 &rst
  ixpk= 273, nxpk= 15, iat= 427, 456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 PHE  HN           29 ASP  HN          4.50    (#    274:15  Unique         2.40, 2.57 A)
 &rst
  ixpk= 274, nxpk= 15, iat= 468, 456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 PHE  HD           29 ASP  HN          5.50    (#    275:15  Unique         3.15, 5.05 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1, 456, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 476, 484,
 &end
#
#   28 HIS  HN           29 ASP  HN          5.50    (#    276:15  Unique         2.03, 2.77 A)
 &rst
  ixpk= 276, nxpk= 15, iat= 439, 456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 ASP  HB-          30 PHE  HN          7.00    (#    277:15  Unique         2.65, 3.64 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 460, 461,
 &end
#
#   30 PHE  HB-          30 PHE  HN          4.50    (#    278:15  Unique         2.36, 3.17 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 472, 473,
 &end
#
#   30 PHE  HB+          30 PHE  HN          4.50    (#    279:15  Unique         2.36, 3.17 A)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 472, 473,
 &end
#
#   29 ASP  HA           30 PHE  HN          4.50    (#    280:15  Unique         3.15, 3.38 A)
 &rst
  ixpk= 280, nxpk= 15, iat= 458, 468, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:281     30 PHE  HN          3.50    (#    281:15  Single Ambig)
 &rst
  ixpk= 281, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 470, 441,
 &end
#
#   31 LEU  HN           30 PHE  HN          3.50    (#    282:15  Unique         1.95, 2.54 A)
 &rst
  ixpk= 282, nxpk= 15, iat= 488, 468, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 PHE  HE           30 PHE  HN          4.50    (#    283:15  Unique         4.14, 4.79 A)
 &rst
  ixpk= 283, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 478, 482,
 &end
#
#   30 PHE  HD           30 PHE  HN          2.80    (#    284:15  Unique         2.54, 3.40 A)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 476, 484,
 &end
#
#   29 ASP  HN           30 PHE  HN          3.50    (#    285:15  Unique         2.40, 2.57 A)
 &rst
  ixpk= 285, nxpk= 15, iat= 456, 468, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 ASP  HB+          30 PHE  HN          7.00    (#    286:15  Unique         2.65, 3.64 A)
 &rst
  ixpk= 286, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 460, 461,
 &end
#
#    0 AMB  15-2:287     30 PHE  HN          7.00    (#    287:15  Single Ambig)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 492, 493,1692,1693,
 &end
#
#   31 LEU  MDX          31 LEU  HN          4.50    (#    288:15  Unique         1.95, 4.45 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  MDY          31 LEU  HN          4.50    (#    289:15  Unique         1.95, 4.45 A)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HG           31 LEU  HN          4.50    (#    290:15  Unique         3.26, 3.48 A)
 &rst
  ixpk= 290, nxpk= 15, iat= 495, 488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 LEU  HB-          31 LEU  HN          3.50    (#    291:15  Unique         2.06, 2.80 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   31 LEU  HB+          31 LEU  HN          3.50    (#    292:15  Unique         2.06, 2.80 A)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   28 HIS  HB+          31 LEU  HN          5.50    (#    293:15  Unique         2.89, 4.43 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 443, 444,
 &end
#
#   28 HIS  HB-          31 LEU  HN          7.00    (#    294:15  Unique         2.89, 4.43 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 443, 444,
 &end
#
#   30 PHE  HB-          31 LEU  HN          7.00    (#    295:15  Unique         2.46, 3.31 A)
 &rst
  ixpk= 295, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 472, 473,
 &end
#
#   31 LEU  HA           31 LEU  HN          3.50    (#    296:15  Unique         2.75, 2.79 A)
 &rst
  ixpk= 296, nxpk= 15, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 ASP  HA           31 LEU  HN          5.50    (#    297:15  Unique         3.57, 4.21 A)
 &rst
  ixpk= 297, nxpk= 15, iat= 458, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 PHE  HA           31 LEU  HN          4.50    (#    298:15  Unique         3.49, 3.52 A)
 &rst
  ixpk= 298, nxpk= 15, iat= 470, 488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 PHE  HN           31 LEU  HN          3.50    (#    299:15  Unique         1.95, 2.54 A)
 &rst
  ixpk= 299, nxpk= 15, iat= 468, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 GLN  HE2-         31 LEU  HN          5.50    (#    300:15  Unique         2.51, 3.94 A)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1700,1701,
 &end
#
#   30 PHE  HD           31 LEU  HN          4.50    (#    301:15  Unique         2.81, 4.64 A)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 476, 484,
 &end
#
#   32 SER  HN           31 LEU  HN          5.50    (#    302:15  Unique         4.25, 4.43 A)
 &rst
  ixpk= 302, nxpk= 15, iat= 507, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 LEU  MDY          32 SER  HN          5.50    (#    304:15  Unique         1.95, 5.25 A)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HG           32 SER  HN          5.50    (#    305:15  Unique         3.56, 4.21 A)
 &rst
  ixpk= 305, nxpk= 15, iat= 495, 507, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 LEU  HB-          32 SER  HN          4.50    (#    306:15  Unique         2.16, 3.86 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 493,
 &end
#
#   31 LEU  HB+          32 SER  HN          4.50    (#    307:15  Unique         2.16, 3.86 A)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 493,
 &end
#
#   35 TYR  HB-          32 SER  HN          4.50    (#    308:15  Unique         2.68, 3.42 A)
 &rst
  ixpk= 308, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 547, 548,
 &end
#
#   35 TYR  HB+          32 SER  HN          7.00    (#    309:15  Unique         2.68, 3.42 A)
 &rst
  ixpk= 309, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 547, 548,
 &end
#
#   31 LEU  HA           32 SER  HN          2.80    (#    310:15  Unique         2.14, 2.25 A)
 &rst
  ixpk= 310, nxpk= 15, iat= 490, 507, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 SER  HB-          32 SER  HN          3.50    (#    311:15  Unique         2.07, 2.87 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 511, 512,
 &end
#
#   32 SER  HA           32 SER  HN          2.80    (#    312:15  Unique         2.76, 2.83 A)
 &rst
  ixpk= 312, nxpk= 15, iat= 509, 507, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 LEU  HN           32 SER  HN          7.00    (#    314:15  Unique         4.25, 4.43 A)
 &rst
  ixpk= 314, nxpk= 15, iat= 488, 507, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:315     32 SER  HN          4.50    (#    315:15  Single Ambig)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2133,2138,1700,1701,
 &end
#
#   35 TYR  HD           32 SER  HN          4.50    (#    316:15  Unique         3.33, 5.24 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 551, 560,
 &end
#
#   33 ALA  HN           32 SER  HN          7.00    (#    317:15  Unique         4.37, 4.56 A)
 &rst
  ixpk= 317, nxpk= 15, iat= 518, 507, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   33 ALA  MB           33 ALA  HN          2.80    (#    318:15  Unique         2.07, 2.88 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 522, 523, 524,
 &end
#
#    0 AMB  15-2:319     33 ALA  HN          5.50    (#    319:15  Single Ambig)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 568, 569, 532, 533,
 &end
#
#   33 ALA  HA           33 ALA  HN          3.50    (#    320:15  Unique         2.76, 2.78 A)
 &rst
  ixpk= 320, nxpk= 15, iat= 520, 518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 SER  HB-          33 ALA  HN          4.50    (#    321:15  Unique         2.28, 3.29 A)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 511, 512,
 &end
#
#   32 SER  HA           33 ALA  HN          2.80    (#    322:15  Unique         2.31, 2.42 A)
 &rst
  ixpk= 322, nxpk= 15, iat= 509, 518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 SER  HN           33 ALA  HN          7.00    (#    324:15  Unique         4.37, 4.56 A)
 &rst
  ixpk= 324, nxpk= 15, iat= 507, 518, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:325     33 ALA  HN          7.00    (#    325:15  Single Ambig)
 &rst
  ixpk= 325, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 543, 577,
 &end
#
#   33 ALA  MB           34 GLU  HN          3.50    (#    328:15  Unique         2.23, 3.40 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 522, 523, 524,
 &end
#
#   34 GLU  HB-          34 GLU  HN          3.50    (#    329:15  Unique         2.06, 2.92 A)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 532, 533,
 &end
#
#   34 GLU  HB+          34 GLU  HN          3.50    (#    330:15  Unique         2.06, 2.92 A)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 532, 533,
 &end
#
#   34 GLU  HG-          34 GLU  HN          4.50    (#    331:15  Unique         2.05, 3.21 A)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#   34 GLU  HG+          34 GLU  HN          4.50    (#    332:15  Unique         2.05, 3.21 A)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#   34 GLU  HA           34 GLU  HN          2.80    (#    333:15  Unique         2.76, 2.81 A)
 &rst
  ixpk= 333, nxpk= 15, iat= 530, 528, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 SER  HB-          34 GLU  HN          4.50    (#    334:15  Unique         2.31, 3.45 A)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 511, 512,
 &end
#
#   32 SER  HB+          34 GLU  HN          3.50    (#    335:15  Unique         2.31, 3.45 A)
 &rst
  ixpk= 335, nxpk= 15, iat=  -1, 528, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 511, 512,
 &end
#
#   35 TYR  HN           34 GLU  HN          3.50    (#    337:15  Unique         2.58, 2.71 A)
 &rst
  ixpk= 337, nxpk= 15, iat= 543, 528, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 ARG  HN           34 GLU  HN          7.00    (#    338:15  Unique         3.67, 3.92 A)
 &rst
  ixpk= 338, nxpk= 15, iat= 564, 528, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   33 ALA  MB           35 TYR  HN          7.00    (#    339:15  Unique         4.66, 5.52 A)
 &rst
  ixpk= 339, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 522, 523, 524,
 &end
#
#   34 GLU  HB-          35 TYR  HN          4.50    (#    340:15  Unique         2.33, 3.10 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 532, 533,
 &end
#
#   34 GLU  HB+          35 TYR  HN          3.50    (#    341:15  Unique         2.33, 3.10 A)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 532, 533,
 &end
#
#   34 GLU  HG-          35 TYR  HN          5.50    (#    342:15  Unique         4.17, 4.75 A)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 535, 536,
 &end
#
#   34 GLU  HG+          35 TYR  HN          4.50    (#    343:15  Unique         4.17, 4.75 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#   35 TYR  HB-          35 TYR  HN          2.80    (#    344:15  Unique         2.13, 2.71 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 547, 548,
 &end
#
#   35 TYR  HB+          35 TYR  HN          3.50    (#    345:15  Unique         2.13, 2.71 A)
 &rst
  ixpk= 345, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 547, 548,
 &end
#
#    0 AMB  15-2:346     35 TYR  HN          4.50    (#    346:15  Single Ambig)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 530, 490,
 &end
#
#   32 SER  HB-          35 TYR  HN          5.50    (#    347:15  Unique         2.36, 3.42 A)
 &rst
  ixpk= 347, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 511, 512,
 &end
#
#   32 SER  HB+          35 TYR  HN          5.50    (#    348:15  Unique         2.36, 3.42 A)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 511, 512,
 &end
#
#   35 TYR  HA           35 TYR  HN          3.50    (#    351:15  Unique         2.79, 2.88 A)
 &rst
  ixpk= 351, nxpk= 15, iat= 545, 543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 TYR  HD           35 TYR  HN          4.50    (#    352:15  Unique         3.47, 4.50 A)
 &rst
  ixpk= 352, nxpk= 15, iat=  -1, 543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 551, 560,
 &end
#
#   36 ARG  HN           35 TYR  HN          3.50    (#    353:15  Unique         2.40, 2.51 A)
 &rst
  ixpk= 353, nxpk= 15, iat= 564, 543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 GLU  HN           35 TYR  HN          3.50    (#    354:15  Unique         2.58, 2.71 A)
 &rst
  ixpk= 354, nxpk= 15, iat= 528, 543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:355     36 ARG  HN          7.00    (#    355:15  Single Ambig)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 497, 498, 499, 501, 502, 503, 626, 627, 628, 630,
       631, 632,
 &end
#
#   31 LEU  MDY          36 ARG  HN          5.50    (#    356:15  Unique         3.34, 6.23 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   31 LEU  HB-          36 ARG  HN          5.50    (#    357:15  Unique         3.87, 5.49 A)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 492, 493,
 &end
#
#    0 AMB  15-2:358     36 ARG  HN          4.50    (#    358:15  Single Ambig)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 571, 572, 571, 572,
 &end
#
#   36 ARG  HB+          36 ARG  HN          3.50    (#    359:15  Unique         2.32, 2.61 A)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 568, 569,
 &end
#
#   36 ARG  HB-          36 ARG  HN          3.50    (#    360:15  Unique         2.32, 2.61 A)
 &rst
  ixpk= 360, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 568, 569,
 &end
#
#   35 TYR  HB-          36 ARG  HN          4.50    (#    361:15  Unique         2.62, 3.69 A)
 &rst
  ixpk= 361, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 547, 548,
 &end
#
#   35 TYR  HB+          36 ARG  HN          4.50    (#    362:15  Unique         2.62, 3.69 A)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 547, 548,
 &end
#
#   36 ARG  HA           36 ARG  HN          3.50    (#    363:15  Unique         2.77, 2.88 A)
 &rst
  ixpk= 363, nxpk= 15, iat= 566, 564, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:364     36 ARG  HN          4.50    (#    364:15  Single Ambig)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 520, 590,
 &end
#
#   35 TYR  HA           36 ARG  HN          5.50    (#    365:15  Unique         2.99, 3.30 A)
 &rst
  ixpk= 365, nxpk= 15, iat= 545, 564, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 TYR  HD           36 ARG  HN          7.00    (#    366:15  Unique         4.58, 5.40 A)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 551, 560,
 &end
#
#    0 AMB  15-2:367     36 ARG  HN          5.50    (#    367:15  Single Ambig)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 602, 507,
 &end
#
#    0 AMB  15-2:368     36 ARG  HN          2.80    (#    368:15  Single Ambig)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1, 564, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 588, 543,
 &end
#
#    0 AMB  15-2:369     37 THR  HN          3.50    (#    369:15  Single Ambig)
 &rst
  ixpk= 369, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 594, 595, 596, 624,
 &end
#
#    0 AMB  15-2:370     37 THR  HN          3.50    (#    370:15  Single Ambig)
 &rst
  ixpk= 370, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 571, 572, 571, 572,
 &end
#
#   36 ARG  HB-          37 THR  HN          3.50    (#    371:15  Unique         2.79, 3.47 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 568, 569,
 &end
#
#    8 SER  HB+           8 SER  HN          4.50    (#    372:15  Unique         2.18, 2.90 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 138, 139,
 &end
#
#    0 AMB  15-2:373      0 AMB  15-1:373    2.80    (#    373:15  Double Ambig)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 136, 590, 530,
 igr2= 134, 588,
 &end
#
#   37 THR  HB           37 THR  HN          2.80    (#    374:15  Unique         2.24, 2.27 A)
 &rst
  ixpk= 374, nxpk= 15, iat= 592, 588, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 TYR  HA           37 THR  HN          5.50    (#    376:15  Unique         3.75, 4.01 A)
 &rst
  ixpk= 376, nxpk= 15, iat= 545, 588, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 ARG  HN           37 THR  HN          3.50    (#    377:15  Unique         2.03, 2.34 A)
 &rst
  ixpk= 377, nxpk= 15, iat= 564, 588, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:378     37 THR  HN          5.50    (#    378:15  Single Ambig)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 617, 528,
 &end
#
#   52 LEU  HN            8 SER  HN          4.50    (#    379:15  Unique         4.13, 4.39 A)
 &rst
  ixpk= 379, nxpk= 15, iat= 825, 134, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:381      0 AMB  15-1:381    3.50    (#    381:15  Double Ambig)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 568, 569, 114, 115,
 igr2= 588, 134,
 &end
#
#   37 THR  MG2          38 GLU  HN          3.50    (#    382:15  Unique         2.56, 3.55 A)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 594, 595, 596,
 &end
#
#   39 LEU  HB+          38 GLU  HN          7.00    (#    383:15  Unique         4.63, 5.56 A)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 621, 622,
 &end
#
#   38 GLU  HB-          38 GLU  HN          2.80    (#    384:15  Unique         2.20, 2.92 A)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 606, 607,
 &end
#
#   38 GLU  HB+          38 GLU  HN          2.80    (#    385:15  Unique         2.20, 2.92 A)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 606, 607,
 &end
#
#    0 AMB  15-2:386     38 GLU  HN          5.50    (#    386:15  Single Ambig)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 532, 533, 568, 569,
 &end
#
#   38 GLU  HG+          38 GLU  HN          3.50    (#    387:15  Unique         2.04, 3.18 A)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 609, 610,
 &end
#
#    0 AMB  15-2:388     38 GLU  HN          7.00    (#    388:15  Single Ambig)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 566, 619,
 &end
#
#    0 AMB  15-2:389     38 GLU  HN          2.80    (#    389:15  Single Ambig)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 604, 590, 530,
 &end
#
#   37 THR  HB           38 GLU  HN          3.50    (#    390:15  Unique         2.43, 2.57 A)
 &rst
  ixpk= 390, nxpk= 15, iat= 592, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 TYR  HA           38 GLU  HN          4.50    (#    391:15  Unique         3.38, 3.68 A)
 &rst
  ixpk= 391, nxpk= 15, iat= 545, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 TYR  HD           38 GLU  HN          5.50    (#    392:15  Unique         4.90, 6.46 A)
 &rst
  ixpk= 392, nxpk= 15, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 551, 560,
 &end
#
#   40 GLU  HN           38 GLU  HN          7.00    (#    394:15  Unique         4.32, 4.43 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 636, 602, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   37 THR  HN           38 GLU  HN          2.80    (#    395:15  Unique         2.19, 2.47 A)
 &rst
  ixpk= 395, nxpk= 15, iat= 588, 602, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 ARG  HN           38 GLU  HN          7.00    (#    396:15  Unique         3.46, 4.13 A)
 &rst
  ixpk= 396, nxpk= 15, iat= 564, 602, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   39 LEU  HN           38 GLU  HN          3.50    (#    397:15  Unique         2.76, 2.85 A)
 &rst
  ixpk= 397, nxpk= 15, iat= 617, 602, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 LEU  MDY          39 LEU  HN          4.50    (#    398:15  Unique         2.01, 4.44 A)
 &rst
  ixpk= 398, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   39 LEU  MDX          39 LEU  HN          4.50    (#    399:15  Unique         2.01, 4.44 A)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 626, 627, 628, 630, 631, 632,
 &end
#
#   39 LEU  HG           39 LEU  HN          3.50    (#    400:15  Unique         2.20, 2.79 A)
 &rst
  ixpk= 400, nxpk= 15, iat= 624, 617, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 LEU  HB-          39 LEU  HN          3.50    (#    401:15  Unique         2.10, 2.92 A)
 &rst
  ixpk= 401, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 621, 622,
 &end
#
#   39 LEU  HB+          39 LEU  HN          3.50    (#    402:15  Unique         2.10, 2.92 A)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 621, 622,
 &end
#
#   38 GLU  HB-          39 LEU  HN          3.50    (#    403:15  Unique         2.40, 3.03 A)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 606, 607,
 &end
#
#   38 GLU  HB+          39 LEU  HN          3.50    (#    404:15  Unique         2.40, 3.03 A)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 606, 607,
 &end
#
#   38 GLU  HG+          39 LEU  HN          7.00    (#    405:15  Unique         4.34, 4.84 A)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 609, 610,
 &end
#
#   39 LEU  HA           39 LEU  HN          3.50    (#    406:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 406, nxpk= 15, iat= 619, 617, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:407     39 LEU  HN          4.50    (#    407:15  Single Ambig)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 604, 590,
 &end
#
#   35 TYR  HA           39 LEU  HN          7.00    (#    408:15  Unique         3.27, 3.72 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 545, 617, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:409     39 LEU  HN          4.50    (#    409:15  Single Ambig)
 &rst
  ixpk= 409, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 332, 553, 558,
 &end
#
#   35 TYR  HD           39 LEU  HN          5.50    (#    410:15  Unique         4.01, 5.74 A)
 &rst
  ixpk= 410, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 551, 560,
 &end
#
#    0 AMB  15-2:411     39 LEU  HN          7.00    (#    411:15  Single Ambig)
 &rst
  ixpk= 411, nxpk= 15, iat=  -1, 617, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 651, 663,
 &end
#
#   40 GLU  HN           39 LEU  HN          4.50    (#    412:15  Unique         2.68, 2.75 A)
 &rst
  ixpk= 412, nxpk= 15, iat= 636, 617, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 GLU  HN           39 LEU  HN          3.50    (#    413:15  Unique         2.76, 2.85 A)
 &rst
  ixpk= 413, nxpk= 15, iat= 602, 617, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:415     40 GLU  HN          5.50    (#    415:15  Single Ambig)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 624, 594, 595, 596,
 &end
#
#   39 LEU  HB-          40 GLU  HN          4.50    (#    416:15  Unique         2.34, 2.91 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#   39 LEU  HB+          40 GLU  HN          4.50    (#    417:15  Unique         2.34, 2.91 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 621, 622,
 &end
#
#    0 AMB  15-2:418     40 GLU  HN          2.80    (#    418:15  Single Ambig)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 640, 641, 640, 641,
 &end
#
#   40 GLU  HA           40 GLU  HN          3.50    (#    419:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 419, nxpk= 15, iat= 638, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 LEU  HA           40 GLU  HN          5.50    (#    420:15  Unique         3.55, 3.56 A)
 &rst
  ixpk= 420, nxpk= 15, iat= 619, 636, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:421     40 GLU  HN          4.50    (#    421:15  Single Ambig)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 590, 604,
 &end
#
#   20 TRP  HH2          40 GLU  HN          4.50    (#    422:15  Unique         2.43, 2.79 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 332, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 ASP  HN           40 GLU  HN          3.50    (#    423:15  Unique         2.73, 2.76 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 651, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ASN  HD2+         59 ARG  HN          4.50    (#    424:15  Unique         1.83, 3.54 A)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 919, 920,
 &end
#
#   39 LEU  HN           40 GLU  HN          4.50    (#    425:15  Unique         2.68, 2.75 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 617, 636, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 ARG  HA           59 ARG  HN          2.80    (#    426:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 426, nxpk= 15, iat= 941, 939, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:427     59 ARG  HN          3.50    (#    427:15  Single Ambig)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 946, 947, 946, 947,
 &end
#
#   59 ARG  HB-          59 ARG  HN          2.80    (#    428:15  Unique         2.16, 3.06 A)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 943, 944,
 &end
#
#    0 AMB  15-2:429     59 ARG  HN          5.50    (#    429:15  Single Ambig)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 979, 980, 979, 980,
 &end
#
#   59 ARG  HB+          59 ARG  HN          2.80    (#    430:15  Unique         2.16, 3.06 A)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 943, 944,
 &end
#
#    0 AMB  15-2:431     59 ARG  HN          4.50    (#    431:15  Single Ambig)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 931, 932, 982, 983, 982, 983,
 &end
#
#    1 MET  HG-          59 ARG  HN          5.50    (#    432:15  Unique         5.21, 5.93 A)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  11,  12,
 &end
#
#   57 ASN  HB-          59 ARG  HN          5.50    (#    433:15  Unique         2.64, 3.65 A)
 &rst
  ixpk= 433, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 914, 915,
 &end
#
#    0 AMB  15-2:434     59 ARG  HN          7.00    (#    434:15  Single Ambig)
 &rst
  ixpk= 434, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 949, 950, 967, 968,
 &end
#
#   57 ASN  HB+          59 ARG  HN          7.00    (#    435:15  Unique         2.64, 3.65 A)
 &rst
  ixpk= 435, nxpk= 15, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 914, 915,
 &end
#
#   58 GLU  HA           59 ARG  HN          4.50    (#    436:15  Unique         3.41, 3.42 A)
 &rst
  ixpk= 436, nxpk= 15, iat= 926, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ASP  HA           59 ARG  HN          4.50    (#    437:15  Unique         4.58, 4.60 A)
 &rst
  ixpk= 437, nxpk= 15, iat= 965, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ASP  HN           59 ARG  HN          3.50    (#    438:15  Unique         2.36, 2.38 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 963, 939, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 GLU  HN           59 ARG  HN          4.50    (#    439:15  Unique         2.66, 2.68 A)
 &rst
  ixpk= 439, nxpk= 15, iat= 924, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:440     41 ASP  HN          5.50    (#    440:15  Single Ambig)
 &rst
  ixpk= 440, nxpk= 15, iat=  -1, 651, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 670, 667, 668,
 &end
#
#   41 ASP  HB+          41 ASP  HN          3.50    (#    441:15  Unique         2.08, 2.65 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 651, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 655, 656,
 &end
#
#   40 GLU  HA           41 ASP  HN          4.50    (#    442:15  Unique         3.47, 3.48 A)
 &rst
  ixpk= 442, nxpk= 15, iat= 638, 651, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:443     41 ASP  HN          4.50    (#    443:15  Single Ambig)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 651, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 604, 590,
 &end
#
#   41 ASP  HA           41 ASP  HN          2.80    (#    444:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 444, nxpk= 15, iat= 653, 651, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:445      0 AMB  15-1:445    7.00    (#    445:15  Double Ambig)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 682, 223,
 igr2= 651, 201,
 &end
#
#   43 VAL  MGX          42 LEU  HN          7.00    (#    446:15  Unique         4.67, 6.32 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   42 LEU  MDX          42 LEU  HN          4.50    (#    447:15  Unique         3.35, 4.56 A)
 &rst
  ixpk= 447, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 672, 673, 674, 676, 677, 678,
 &end
#
#   43 VAL  HB           42 LEU  HN          7.00    (#    448:15  Unique         5.04, 5.07 A)
 &rst
  ixpk= 448, nxpk= 15, iat= 686, 663, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:449     42 LEU  HN          2.80    (#    449:15  Single Ambig)
 &rst
  ixpk= 449, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 667, 668, 670,
 &end
#
#   42 LEU  HB+          42 LEU  HN          2.80    (#    450:15  Unique         2.22, 2.88 A)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 667, 668,
 &end
#
#   41 ASP  HB+          42 LEU  HN          4.50    (#    451:15  Unique         2.22, 2.58 A)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 655, 656,
 &end
#
#   41 ASP  HB-          42 LEU  HN          4.50    (#    452:15  Unique         2.22, 2.58 A)
 &rst
  ixpk= 452, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 655, 656,
 &end
#
#    0 AMB  15-2:453     42 LEU  HN          7.00    (#    453:15  Single Ambig)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 638, 684,
 &end
#
#    0 AMB  15-2:454     42 LEU  HN          4.50    (#    454:15  Single Ambig)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1, 663, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 619, 726, 727,
 &end
#
#   42 LEU  HA           42 LEU  HN          3.50    (#    455:15  Unique         2.75, 2.75 A)
 &rst
  ixpk= 455, nxpk= 15, iat= 665, 663, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASP  HA           42 LEU  HN          4.50    (#    456:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 456, nxpk= 15, iat= 653, 663, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 VAL  HN           42 LEU  HN          3.50    (#    457:15  Unique         2.78, 2.78 A)
 &rst
  ixpk= 457, nxpk= 15, iat= 682, 663, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 VAL  MGX           0 AMB  15-1:458    2.80    (#    458:15  Single Ambig)
 &rst
  ixpk= 458, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 682, 753,
 &end
#
#   43 VAL  MGY           0 AMB  15-1:459    3.50    (#    459:15  Single Ambig)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 688, 689, 690, 692, 693, 694,
 igr2= 682, 753,
 &end
#
#   47 LEU  MDY          47 LEU  HN          3.50    (#    460:15  Unique         4.12, 4.69 A)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 762, 763, 764, 766, 767, 768,
 &end
#
#    0 AMB  15-2:461      0 AMB  15-1:461    3.50    (#    461:15  Double Ambig)
 &rst
  ixpk= 461, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 672, 673, 674, 676, 677, 678, 278, 279, 280, 282,
       283, 284, 278, 279, 280, 282, 283, 284,
 igr2= 682, 753,
 &end
#
#   43 VAL  HB           43 VAL  HN          2.80    (#    462:15  Unique         2.48, 2.51 A)
 &rst
  ixpk= 462, nxpk= 15, iat= 686, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 LEU  HB+          47 LEU  HN          2.80    (#    463:15  Unique         2.19, 2.85 A)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 757, 758,
 &end
#
#   47 LEU  HG           47 LEU  HN          2.80    (#    464:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 464, nxpk= 15, iat= 760, 753, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 LEU  HG           43 VAL  HN          2.80    (#    465:15  Unique         2.05, 2.08 A)
 &rst
  ixpk= 465, nxpk= 15, iat= 670, 682, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:466     43 VAL  HN          3.50    (#    466:15  Single Ambig)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 667, 668, 621, 622,
 &end
#
#   46 PHE  HB-          47 LEU  HN          4.50    (#    467:15  Unique         2.59, 2.79 A)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 737, 738,
 &end
#
#   48 PRO  HD-          47 LEU  HN          4.50    (#    468:15  Unique         2.15, 2.67 A)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 773, 774,
 &end
#
#   46 PHE  HB+          47 LEU  HN          4.50    (#    469:15  Unique         2.59, 2.79 A)
 &rst
  ixpk= 469, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 737, 738,
 &end
#
#    0 AMB  15-2:470      0 AMB  15-1:470    3.50    (#    470:15  Double Ambig)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 684, 638,
 igr2= 682, 753,
 &end
#
#   48 PRO  HD+          47 LEU  HN          3.50    (#    471:15  Unique         2.15, 2.67 A)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 773, 774,
 &end
#
#    0 AMB  15-2:472     47 LEU  HN          2.80    (#    472:15  Single Ambig)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 755, 700,
 &end
#
#    0 AMB  15-2:473     43 VAL  HN          5.50    (#    473:15  Single Ambig)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 619, 726, 727,
 &end
#
#   42 LEU  HA           43 VAL  HN          4.50    (#    474:15  Unique         3.50, 3.50 A)
 &rst
  ixpk= 474, nxpk= 15, iat= 665, 682, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 PHE  HA           47 LEU  HN          5.50    (#    475:15  Unique         3.55, 3.56 A)
 &rst
  ixpk= 475, nxpk= 15, iat= 735, 753, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 PHE  HD            0 AMB  15-1:476    7.00    (#    476:15  Single Ambig)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 741, 749,
 igr2= 753, 682,
 &end
#
#   45 SER  HN            0 AMB  15-1:477    5.50    (#    477:15  Single Ambig)
 &rst
  ixpk= 477, nxpk= 15, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 682, 753,
 &end
#
#    0 AMB  15-2:478     43 VAL  HN          3.50    (#    478:15  Single Ambig)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1, 682, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 663, 651,
 &end
#
#   46 PHE  HN           47 LEU  HN          3.50    (#    479:15  Unique         2.04, 2.14 A)
 &rst
  ixpk= 479, nxpk= 15, iat= 733, 753, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 ARG  HN           43 VAL  HN          3.50    (#    480:15  Unique         2.51, 2.55 A)
 &rst
  ixpk= 480, nxpk= 15, iat= 698, 682, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 VAL  MGX          44 ARG  HN          4.50    (#    481:15  Unique         3.83, 4.53 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#   43 VAL  MGY          44 ARG  HN          4.50    (#    482:15  Unique         3.83, 4.53 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 688, 689, 690, 692, 693, 694,
 &end
#
#    0 AMB  15-2:483     44 ARG  HN          4.50    (#    483:15  Single Ambig)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#   43 VAL  HB           44 ARG  HN          4.50    (#    484:15  Unique         2.60, 2.63 A)
 &rst
  ixpk= 484, nxpk= 15, iat= 686, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:485     44 ARG  HN          4.50    (#    485:15  Single Ambig)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 705, 706, 705, 706,
 &end
#
#   44 ARG  HB+          44 ARG  HN          2.80    (#    486:15  Unique         2.08, 2.72 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 702, 703,
 &end
#
#    0 AMB  15-2:487     44 ARG  HN          5.50    (#    487:15  Single Ambig)
 &rst
  ixpk= 487, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 708, 709, 708, 709, 737, 738,
 &end
#
#   43 VAL  HA           44 ARG  HN          4.50    (#    488:15  Unique         3.52, 3.53 A)
 &rst
  ixpk= 488, nxpk= 15, iat= 684, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:489     44 ARG  HN          7.00    (#    489:15  Single Ambig)
 &rst
  ixpk= 489, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 643, 644, 643, 644, 640, 641, 640, 641,
 &end
#
#   44 ARG  HA           44 ARG  HN          3.50    (#    490:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 490, nxpk= 15, iat= 700, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 ASP  HA           44 ARG  HN          4.50    (#    491:15  Unique         3.35, 3.40 A)
 &rst
  ixpk= 491, nxpk= 15, iat= 653, 698, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 SER  HN           44 ARG  HN          2.80    (#    492:15  Unique         2.54, 2.55 A)
 &rst
  ixpk= 492, nxpk= 15, iat= 722, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 VAL  HN           44 ARG  HN          2.80    (#    493:15  Unique         2.51, 2.55 A)
 &rst
  ixpk= 493, nxpk= 15, iat= 682, 698, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:494     44 ARG  HN          5.50    (#    494:15  Single Ambig)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 663, 651,
 &end
#
#    0 AMB  15-2:495     45 SER  HN          5.50    (#    495:15  Single Ambig)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 672, 673, 674, 676, 677, 678, 672, 673, 674, 676,
       677, 678, 278, 279, 280, 282, 283, 284, 278, 279,
       280, 282, 283, 284,
 &end
#
#    0 AMB  15-2:496     45 SER  HN          5.50    (#    496:15  Single Ambig)
 &rst
  ixpk= 496, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 705, 706, 705, 706,
 &end
#
#   44 ARG  HB+          45 SER  HN          3.50    (#    497:15  Unique         3.38, 3.76 A)
 &rst
  ixpk= 497, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 702, 703,
 &end
#
#   46 PHE  HB-          45 SER  HN          5.50    (#    498:15  Unique         3.66, 4.41 A)
 &rst
  ixpk= 498, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 737, 738,
 &end
#
#    0 AMB  15-2:499     45 SER  HN          5.50    (#    499:15  Single Ambig)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 737, 738, 708, 709,
 &end
#
#   44 ARG  HA           45 SER  HN          4.50    (#    500:15  Unique         3.32, 3.32 A)
 &rst
  ixpk= 500, nxpk= 15, iat= 700, 722, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 SER  HB-          45 SER  HN          3.50    (#    501:15  Unique         2.46, 2.99 A)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 726, 727,
 &end
#
#   45 SER  HB+          45 SER  HN          3.50    (#    502:15  Unique         2.46, 2.99 A)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 726, 727,
 &end
#
#   42 LEU  HA           45 SER  HN          4.50    (#    503:15  Unique         3.59, 3.60 A)
 &rst
  ixpk= 503, nxpk= 15, iat= 665, 722, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 SER  HA           45 SER  HN          3.50    (#    504:15  Unique         2.95, 2.95 A)
 &rst
  ixpk= 504, nxpk= 15, iat= 724, 722, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 PHE  HN           45 SER  HN          2.80    (#    505:15  Unique         2.22, 2.23 A)
 &rst
  ixpk= 505, nxpk= 15, iat= 733, 722, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 ARG  HN           45 SER  HN          3.50    (#    506:15  Unique         2.54, 2.55 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 698, 722, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:507     45 SER  HN          4.50    (#    507:15  Single Ambig)
 &rst
  ixpk= 507, nxpk= 15, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 682, 753,
 &end
#
#   43 VAL  HA           45 SER  HN          5.50    (#    508:15  Unique         3.66, 3.67 A)
 &rst
  ixpk= 508, nxpk= 15, iat= 684, 722, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 PHE  HB-          46 PHE  HN          2.80    (#    509:15  Unique         2.56, 3.01 A)
 &rst
  ixpk= 509, nxpk= 15, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 737, 738,
 &end
#
#  119 LYS  HG-         119 LYS  HN          4.50    (#    510:15  Unique         2.22, 3.53 A)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1854,1855,
 &end
#
#   48 PRO  HD-          46 PHE  HN          5.50    (#    511:15  Unique         2.12, 2.95 A)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 773, 774,
 &end
#
#   46 PHE  HB+          46 PHE  HN          3.50    (#    512:15  Unique         2.56, 3.01 A)
 &rst
  ixpk= 512, nxpk= 15, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 737, 738,
 &end
#
#   43 VAL  HA           46 PHE  HN          4.50    (#    513:15  Unique         3.57, 3.60 A)
 &rst
  ixpk= 513, nxpk= 15, iat= 684, 733, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 PRO  HD+          46 PHE  HN          7.00    (#    514:15  Unique         2.12, 2.95 A)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 773, 774,
 &end
#
#    0 AMB  15-2:515     46 PHE  HN          5.50    (#    515:15  Single Ambig)
 &rst
  ixpk= 515, nxpk= 15, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 700, 755,
 &end
#
#    0 AMB  15-2:516      0 AMB  15-1:516    4.50    (#    516:15  Double Ambig)
 &rst
  ixpk= 516, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 726, 727,1779,1780,
 igr2= 733,1847,
 &end
#
#    0 AMB  15-2:517      0 AMB  15-1:517    4.50    (#    517:15  Double Ambig)
 &rst
  ixpk= 517, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 726, 727,1806,1779,1780,
 igr2= 733,1847,
 &end
#
#   45 SER  HA           46 PHE  HN          4.50    (#    518:15  Unique         3.13, 3.15 A)
 &rst
  ixpk= 518, nxpk= 15, iat= 724, 733, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 PHE  HA           46 PHE  HN          3.50    (#    519:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 519, nxpk= 15, iat= 735, 733, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 PHE  HD           46 PHE  HN          5.50    (#    520:15  Unique         3.88, 4.71 A)
 &rst
  ixpk= 520, nxpk= 15, iat=  -1, 733, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 741, 749,
 &end
#
#   45 SER  HN           46 PHE  HN          2.80    (#    521:15  Unique         2.22, 2.23 A)
 &rst
  ixpk= 521, nxpk= 15, iat= 722, 733, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 LEU  HN           46 PHE  HN          3.50    (#    522:15  Unique         2.04, 2.14 A)
 &rst
  ixpk= 522, nxpk= 15, iat= 753, 733, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 LEU  HB-          47 LEU  HN          2.80    (#    524:15  Unique         2.19, 2.85 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 753, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 757, 758,
 &end
#
#   50 ALA  MB           49 GLU  HN          4.50    (#    525:15  Unique         3.51, 4.42 A)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1, 786, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  15-2:526     49 GLU  HN          2.80    (#    526:15  Single Ambig)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1, 786, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 790, 791, 779, 780,
 &end
#
#    0 AMB  15-2:527     49 GLU  HN          4.50    (#    527:15  Single Ambig)
 &rst
  ixpk= 527, nxpk= 15, iat=  -1, 786, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 793, 794, 776, 777,
 &end
#
#   48 PRO  HB+          49 GLU  HN          4.50    (#    528:15  Unique         3.91, 4.20 A)
 &rst
  ixpk= 528, nxpk= 15, iat=  -1, 786, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 779, 780,
 &end
#
#   48 PRO  HD-          49 GLU  HN          4.50    (#    529:15  Unique         2.95, 3.49 A)
 &rst
  ixpk= 529, nxpk= 15, iat=  -1, 786, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 773, 774,
 &end
#
#   48 PRO  HD+          49 GLU  HN          5.50    (#    530:15  Unique         2.95, 3.49 A)
 &rst
  ixpk= 530, nxpk= 15, iat=  -1, 786, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 773, 774,
 &end
#
#   47 LEU  HA           49 GLU  HN          5.50    (#    531:15  Unique         3.70, 3.72 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 755, 786, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   48 PRO  HA           49 GLU  HN          4.50    (#    532:15  Unique         3.32, 3.33 A)
 &rst
  ixpk= 532, nxpk= 15, iat= 782, 786, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 GLU  HA           49 GLU  HN          3.50    (#    533:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 533, nxpk= 15, iat= 788, 786, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 ALA  HN           49 GLU  HN          2.80    (#    534:15  Unique         2.07, 2.13 A)
 &rst
  ixpk= 534, nxpk= 15, iat= 801, 786, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:535     49 GLU  HN          3.50    (#    535:15  Single Ambig)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 786, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 790, 791, 793, 794,
 &end
#
#   52 LEU  MDY          50 ALA  HN          5.50    (#    536:15  Unique         4.17, 5.71 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   50 ALA  MB           50 ALA  HN          2.80    (#    537:15  Unique         2.39, 3.12 A)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  15-2:538     50 ALA  HN          5.50    (#    538:15  Single Ambig)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#    0 AMB  15-2:539     50 ALA  HN          7.00    (#    539:15  Single Ambig)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 832, 776, 777,
 &end
#
#    0 AMB  15-2:540     50 ALA  HN          4.50    (#    540:15  Single Ambig)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 790, 791, 779, 780,
 &end
#
#   49 GLU  HG-          50 ALA  HN          5.50    (#    541:15  Unique         4.55, 4.92 A)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 793, 794,
 &end
#
#    0 AMB  15-2:542     50 ALA  HN          4.50    (#    542:15  Single Ambig)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 790, 791, 793, 794,
 &end
#
#    0 AMB  15-2:543     50 ALA  HN          3.50    (#    543:15  Single Ambig)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 755, 812, 813,
 &end
#
#   50 ALA  HA           50 ALA  HN          3.50    (#    544:15  Unique         2.95, 2.95 A)
 &rst
  ixpk= 544, nxpk= 15, iat= 803, 801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 GLU  HN           50 ALA  HN          2.80    (#    545:15  Unique         2.07, 2.13 A)
 &rst
  ixpk= 545, nxpk= 15, iat= 786, 801, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 LEU  MDY          52 LEU  HN          4.50    (#    546:15  Unique         2.61, 3.97 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   52 LEU  MDX          52 LEU  HN          4.50    (#    547:15  Unique         2.61, 3.97 A)
 &rst
  ixpk= 547, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   50 ALA  MB           52 LEU  HN          4.50    (#    548:15  Unique         3.64, 4.53 A)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 805, 806, 807,
 &end
#
#    0 AMB  15-2:549     52 LEU  HN          5.50    (#    549:15  Single Ambig)
 &rst
  ixpk= 549, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#   52 LEU  HB-          52 LEU  HN          3.50    (#    550:15  Unique         3.10, 3.38 A)
 &rst
  ixpk= 550, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 829, 830,
 &end
#
#   52 LEU  HG           52 LEU  HN          2.80    (#    551:15  Unique         1.91, 1.92 A)
 &rst
  ixpk= 551, nxpk= 15, iat= 832, 825, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 LEU  HB+          52 LEU  HN          2.80    (#    552:15  Unique         3.10, 3.38 A)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 829, 830,
 &end
#
#    0 AMB  15-2:553     52 LEU  HN          4.50    (#    553:15  Single Ambig)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 818, 819, 114, 115,
 &end
#
#    0 AMB  15-2:554     52 LEU  HN          4.50    (#    554:15  Single Ambig)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 818, 819, 815, 816, 815, 816,
 &end
#
#    8 SER  HB-          52 LEU  HN          5.50    (#    557:15  Unique         3.12, 4.52 A)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 138, 139,
 &end
#
#   52 LEU  HA           52 LEU  HN          3.50    (#    562:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 562, nxpk= 15, iat= 827, 825, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 PRO  HA           52 LEU  HN          2.80    (#    563:15  Unique         2.51, 2.54 A)
 &rst
  ixpk= 563, nxpk= 15, iat= 821, 825, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 TRP  HN           52 LEU  HN          5.50    (#    569:15  Unique         4.45, 4.47 A)
 &rst
  ixpk= 569, nxpk= 15, iat= 844, 825, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 LEU  MDY          53 TRP  HN          5.50    (#    570:15  Unique         2.81, 4.52 A)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   52 LEU  MDX          53 TRP  HN          3.50    (#    571:15  Unique         2.81, 4.52 A)
 &rst
  ixpk= 571, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#    0 AMB  15-2:572     53 TRP  HN          7.00    (#    572:15  Single Ambig)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#    0 AMB  15-2:573     53 TRP  HN          7.00    (#    573:15  Single Ambig)
 &rst
  ixpk= 573, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1= 874, 875, 876, 878, 879, 880, 805, 806, 807,
 &end
#
#   52 LEU  HB-          53 TRP  HN          3.50    (#    574:15  Unique         1.97, 2.76 A)
 &rst
  ixpk= 574, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 829, 830,
 &end
#
#   52 LEU  HG           53 TRP  HN          4.50    (#    575:15  Unique         4.52, 4.55 A)
 &rst
  ixpk= 575, nxpk= 15, iat= 832, 844, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 LEU  HB+          53 TRP  HN          4.50    (#    576:15  Unique         1.97, 2.76 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 829, 830,
 &end
#
#   66 MET  ME           53 TRP  HN          7.00    (#    577:15  Unique         4.42, 5.30 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1060,1061,1062,
 &end
#
#   66 MET  HB-          53 TRP  HN          7.00    (#    578:15  Unique         2.96, 3.98 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1053,1054,
 &end
#
#   53 TRP  HB-          53 TRP  HN          4.50    (#    579:15  Unique         2.58, 3.15 A)
 &rst
  ixpk= 579, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 848, 849,
 &end
#
#   53 TRP  HB+          53 TRP  HN          3.50    (#    580:15  Unique         2.58, 3.15 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1, 844, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 848, 849,
 &end
#
#   52 LEU  HA           53 TRP  HN          2.80    (#    581:15  Unique         2.54, 2.57 A)
 &rst
  ixpk= 581, nxpk= 15, iat= 827, 844, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 TRP  HA           53 TRP  HN          4.50    (#    583:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 583, nxpk= 15, iat= 846, 844, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 LEU  HA           53 TRP  HN          4.50    (#    584:15  Unique         3.26, 3.43 A)
 &rst
  ixpk= 584, nxpk= 15, iat=1068, 844, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 TRP  HD1          53 TRP  HN          4.50    (#    585:15  Unique         2.22, 2.28 A)
 &rst
  ixpk= 585, nxpk= 15, iat= 852, 844, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 LEU  HN           53 TRP  HN          7.00    (#    586:15  Unique         4.45, 4.47 A)
 &rst
  ixpk= 586, nxpk= 15, iat= 825, 844, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   66 MET  HN           53 TRP  HN          4.50    (#    587:15  Unique         2.58, 2.76 A)
 &rst
  ixpk= 587, nxpk= 15, iat=1049, 844, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 VAL  HN           53 TRP  HN          5.50    (#    588:15  Unique         4.51, 4.53 A)
 &rst
  ixpk= 588, nxpk= 15, iat= 868, 844, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 ILE  MG2          54 VAL  HN          4.50    (#    589:15  Unique         3.22, 3.83 A)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  73,  74,  75,
 &end
#
#   16 LEU  MDX          54 VAL  HN          7.00    (#    590:15  Unique         6.12, 7.07 A)
 &rst
  ixpk= 590, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 262, 263, 264, 266, 267, 268,
 &end
#
#   54 VAL  MGX          54 VAL  HN          3.50    (#    591:15  Unique         1.99, 3.62 A)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  15-2:592     54 VAL  HN          5.50    (#    592:15  Single Ambig)
 &rst
  ixpk= 592, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 117, 118, 900, 901, 902, 904, 905, 906,  77,  78,
      
 &end
#
#   54 VAL  MGY          54 VAL  HN          4.50    (#    593:15  Unique         1.99, 3.62 A)
 &rst
  ixpk= 593, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#    6 ARG  HG+          54 VAL  HN          7.00    (#    594:15  Unique         3.16, 3.76 A)
 &rst
  ixpk= 594, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  93,  94,
 &end
#
#   54 VAL  HB           54 VAL  HN          3.50    (#    595:15  Unique         3.48, 3.50 A)
 &rst
  ixpk= 595, nxpk= 15, iat= 872, 868, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 TRP  HB-          54 VAL  HN          4.50    (#    596:15  Unique         2.31, 2.88 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 848, 849,
 &end
#
#   53 TRP  HB+          54 VAL  HN          5.50    (#    597:15  Unique         2.31, 2.88 A)
 &rst
  ixpk= 597, nxpk= 15, iat=  -1, 868, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 848, 849,
 &end
#
#    7 ARG  HA           54 VAL  HN          4.50    (#    598:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 598, nxpk= 15, iat= 112, 868, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 TRP  HA           54 VAL  HN          2.80    (#    599:15  Unique         2.40, 2.46 A)
 &rst
  ixpk= 599, nxpk= 15, iat= 846, 868, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 VAL  HA           54 VAL  HN          4.50    (#    600:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 600, nxpk= 15, iat= 870, 868, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 ILE  HA           54 VAL  HN          7.00    (#    601:15  Unique         4.18, 4.23 A)
 &rst
  ixpk= 601, nxpk= 15, iat=  69, 868, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   53 TRP  HE3          54 VAL  HN          4.50    (#    602:15  Unique         3.73, 3.80 A)
 &rst
  ixpk= 602, nxpk= 15, iat= 863, 868, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 TRP  HN           54 VAL  HN          7.00    (#    603:15  Unique         4.51, 4.53 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 844, 868, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    6 ARG  HN           54 VAL  HN          4.50    (#    604:15  Unique         2.49, 2.57 A)
 &rst
  ixpk= 604, nxpk= 15, iat=  86, 868, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 SER  HN           54 VAL  HN          7.00    (#    605:15  Unique         4.26, 4.33 A)
 &rst
  ixpk= 605, nxpk= 15, iat= 134, 868, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   55 ALA  HN           54 VAL  HN          7.00    (#    606:15  Unique         4.28, 4.30 A)
 &rst
  ixpk= 606, nxpk= 15, iat= 884, 868, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:607     55 ALA  HN          4.50    (#    607:15  Single Ambig)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1012,1013,1014,1016,1017,1018, 262, 263, 264, 266,
       267, 268,1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  15-2:608     55 ALA  HN          3.50    (#    608:15  Single Ambig)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 874, 875, 876, 878, 879, 880,1428,1429,1430,1432,
      1433,1434,
 &end
#
#    0 AMB  15-2:609     55 ALA  HN          5.50    (#    609:15  Single Ambig)
 &rst
  ixpk= 609, nxpk= 15, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 900, 901, 902, 904, 905, 906,1362,1363,1364,1366,
      1367,1368,  77,  78,
 &end
#
#    0 AMB  15-2:610     55 ALA  HN          2.80    (#    610:15  Single Ambig)
 &rst
  ixpk= 610, nxpk= 15, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 888, 889, 890, 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HB           55 ALA  HN          3.50    (#    611:15  Unique         3.41, 3.45 A)
 &rst
  ixpk= 611, nxpk= 15, iat= 872, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 VAL  HA           55 ALA  HN          2.80    (#    612:15  Unique         2.15, 2.15 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 870, 884, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   55 ALA  HA           55 ALA  HN          4.50    (#    613:15  Unique         2.92, 2.92 A)
 &rst
  ixpk= 613, nxpk= 15, iat= 886, 884, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 PHE  HA           55 ALA  HN          4.50    (#    614:15  Unique         3.02, 3.10 A)
 &rst
  ixpk= 614, nxpk= 15, iat=1031, 884, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 GLY  HN           55 ALA  HN          4.50    (#    615:15  Unique         2.99, 3.27 A)
 &rst
  ixpk= 615, nxpk= 15, iat=1022, 884, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 VAL  HN           55 ALA  HN          5.50    (#    616:15  Unique         4.22, 4.23 A)
 &rst
  ixpk= 616, nxpk= 15, iat= 894, 884, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 MET  HN           55 ALA  HN          7.00    (#    617:15  Unique         4.48, 4.60 A)
 &rst
  ixpk= 617, nxpk= 15, iat=1049, 884, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:618     55 ALA  HN          7.00    (#    618:15  Single Ambig)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1033,1034, 848, 849,
 &end
#
#   91 LEU  MDY          55 ALA  HN          4.50    (#    619:15  Unique         3.33, 4.11 A)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#   56 VAL  MGY          56 VAL  HN          3.50    (#    620:15  Unique         2.20, 3.18 A)
 &rst
  ixpk= 620, nxpk= 15, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  15-2:621     56 VAL  HN          5.50    (#    621:15  Single Ambig)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  50,  51,  52,1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  15-2:622     56 VAL  HN          4.50    (#    622:15  Single Ambig)
 &rst
  ixpk= 622, nxpk= 15, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=  43,  44,  45,1428,1429,1430,1432,1433,1434, 874,
       875, 876, 878, 879, 880,
 &end
#
#   56 VAL  MGX          56 VAL  HN          2.80    (#    623:15  Unique         2.20, 3.18 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  15-2:624     56 VAL  HN          3.50    (#    624:15  Single Ambig)
 &rst
  ixpk= 624, nxpk= 15, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 888, 889, 890,1012,1013,1014,1016,1017,1018,
 &end
#
#   56 VAL  HB           56 VAL  HN          7.00    (#    625:15  Unique         3.65, 3.67 A)
 &rst
  ixpk= 625, nxpk= 15, iat= 898, 894, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:626     56 VAL  HN          5.50    (#    626:15  Single Ambig)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1, 894, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  77,  78,  47,  48,
 &end
#
#   55 ALA  HA           56 VAL  HN          2.80    (#    627:15  Unique         2.17, 2.18 A)
 &rst
  ixpk= 627, nxpk= 15, iat= 886, 894, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  HA           56 VAL  HN          3.50    (#    628:15  Unique         2.92, 2.93 A)
 &rst
  ixpk= 628, nxpk= 15, iat= 896, 894, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ALA  HN           56 VAL  HN          5.50    (#    629:15  Unique         4.22, 4.23 A)
 &rst
  ixpk= 629, nxpk= 15, iat= 884, 894, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 SER  HN           56 VAL  HN          4.50    (#    630:15  Unique         3.40, 3.50 A)
 &rst
  ixpk= 630, nxpk= 15, iat=  56, 894, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 VAL  MGY          57 ASN  HN          4.50    (#    631:15  Unique         3.91, 4.48 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#   63 VAL  MGX          57 ASN  HN          4.50    (#    632:15  Unique         3.22, 4.95 A)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  15-2:633     57 ASN  HN          4.50    (#    633:15  Single Ambig)
 &rst
  ixpk= 633, nxpk= 15, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 900, 901, 902, 904, 905, 906,1297,1298,1299,1301,
      1302,1303,
 &end
#
#   63 VAL  MGY          57 ASN  HN          4.50    (#    634:15  Unique         3.22, 4.95 A)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#   56 VAL  HB           57 ASN  HN          3.50    (#    635:15  Unique         2.41, 2.51 A)
 &rst
  ixpk= 635, nxpk= 15, iat= 898, 910, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:636     57 ASN  HN          5.50    (#    636:15  Single Ambig)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 979, 980, 979, 980,
 &end
#
#   57 ASN  HB-          57 ASN  HN          4.50    (#    637:15  Unique         2.85, 3.33 A)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 914, 915,
 &end
#
#   57 ASN  HB+          57 ASN  HN          5.50    (#    638:15  Unique         2.85, 3.33 A)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1, 910, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 914, 915,
 &end
#
#   60 ASP  HA           57 ASN  HN          5.50    (#    639:15  Unique         3.51, 3.64 A)
 &rst
  ixpk= 639, nxpk= 15, iat= 965, 910, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ASN  HA           57 ASN  HN          4.50    (#    640:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 640, nxpk= 15, iat= 912, 910, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 VAL  HA           57 ASN  HN          2.80    (#    641:15  Unique         2.26, 2.35 A)
 &rst
  ixpk= 641, nxpk= 15, iat= 896, 910, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 GLN  HN           57 ASN  HN          4.50    (#    642:15  Unique         2.26, 2.33 A)
 &rst
  ixpk= 642, nxpk= 15, iat= 975, 910, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ASP  HN           57 ASN  HN          7.00    (#    643:15  Unique         3.08, 3.29 A)
 &rst
  ixpk= 643, nxpk= 15, iat= 963, 910, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   63 VAL  HN           57 ASN  HN          5.50    (#    644:15  Unique         4.35, 4.53 A)
 &rst
  ixpk= 644, nxpk= 15, iat=1006, 910, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:645     58 GLU  HN          3.50    (#    645:15  Single Ambig)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1= 928, 929, 928, 929,  15,  16,  17,
 &end
#
#   58 GLU  HG-          58 GLU  HN          4.50    (#    646:15  Unique         4.29, 4.43 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 931, 932,
 &end
#
#    1 MET  HG-          58 GLU  HN          5.50    (#    647:15  Unique         2.83, 3.71 A)
 &rst
  ixpk= 647, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  11,  12,
 &end
#
#   57 ASN  HB-          58 GLU  HN          4.50    (#    648:15  Unique         1.81, 2.66 A)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 914, 915,
 &end
#
#   57 ASN  HB+          58 GLU  HN          3.50    (#    649:15  Unique         1.81, 2.66 A)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 914, 915,
 &end
#
#   58 GLU  HA           58 GLU  HN          4.50    (#    650:15  Unique         2.78, 2.79 A)
 &rst
  ixpk= 650, nxpk= 15, iat= 926, 924, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 ASN  HA           58 GLU  HN          3.50    (#    652:15  Unique         2.71, 2.73 A)
 &rst
  ixpk= 652, nxpk= 15, iat= 912, 924, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 ARG  HN           58 GLU  HN          5.50    (#    653:15  Unique         2.66, 2.68 A)
 &rst
  ixpk= 653, nxpk= 15, iat= 939, 924, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 VAL  HB           58 GLU  HN          5.50    (#    654:15  Unique         3.65, 4.40 A)
 &rst
  ixpk= 654, nxpk= 15, iat=  25, 924, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:655     60 ASP  HN          4.50    (#    655:15  Single Ambig)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 946, 947, 946, 947,
 &end
#
#   59 ARG  HB-          60 ASP  HN          5.50    (#    656:15  Unique         3.25, 3.87 A)
 &rst
  ixpk= 656, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 943, 944,
 &end
#
#   56 VAL  HB           60 ASP  HN          3.50    (#    657:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 657, nxpk= 15, iat= 898, 963, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:658     60 ASP  HN          5.50    (#    658:15  Single Ambig)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 979, 980, 979, 980,
 &end
#
#   59 ARG  HB+          60 ASP  HN          4.50    (#    659:15  Unique         3.25, 3.87 A)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 943, 944,
 &end
#
#   60 ASP  HB-          60 ASP  HN          3.50    (#    660:15  Unique         3.15, 3.80 A)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 967, 968,
 &end
#
#   60 ASP  HB+          60 ASP  HN          4.50    (#    661:15  Unique         3.15, 3.80 A)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 967, 968,
 &end
#
#   58 GLU  HA           60 ASP  HN          4.50    (#    662:15  Unique         3.61, 3.65 A)
 &rst
  ixpk= 662, nxpk= 15, iat= 926, 963, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 ASP  HA           60 ASP  HN          2.80    (#    663:15  Unique         2.28, 2.28 A)
 &rst
  ixpk= 663, nxpk= 15, iat= 965, 963, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   59 ARG  HA           60 ASP  HN          3.50    (#    664:15  Unique         3.25, 3.29 A)
 &rst
  ixpk= 664, nxpk= 15, iat= 941, 963, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 VAL  HA           60 ASP  HN          7.00    (#    665:15  Unique         5.02, 5.23 A)
 &rst
  ixpk= 665, nxpk= 15, iat= 896, 963, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   61 GLN  HN           60 ASP  HN          2.80    (#    666:15  Unique         2.51, 2.62 A)
 &rst
  ixpk= 666, nxpk= 15, iat= 975, 963, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   59 ARG  HN           60 ASP  HN          2.80    (#    667:15  Unique         2.36, 2.38 A)
 &rst
  ixpk= 667, nxpk= 15, iat= 939, 963, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  MGX          60 ASP  HN          4.50    (#    669:15  Unique         4.58, 5.61 A)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#   56 VAL  MGY          60 ASP  HN          5.50    (#    670:15  Unique         4.58, 5.61 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  15-2:671     61 GLN  HN          7.00    (#    671:15  Single Ambig)
 &rst
  ixpk= 671, nxpk= 15, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 967, 968, 949, 950,
 &end
#
#   56 VAL  MGY          63 VAL  HN          4.50    (#    672:15  Unique         3.73, 5.67 A)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    0 AMB  15-2:673     63 VAL  HN          5.50    (#    673:15  Single Ambig)
 &rst
  ixpk= 673, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 311, 312, 313, 874, 875, 876, 878, 879, 880,
 &end
#
#    0 AMB  15-2:674     63 VAL  HN          7.00    (#    674:15  Single Ambig)
 &rst
  ixpk= 674, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1= 900, 901, 902, 904, 905, 906,1297,1298,1299,1301,
      1302,1303,1362,1363,1364,1366,1367,1368,
 &end
#
#   63 VAL  MGY          63 VAL  HN          3.50    (#    675:15  Unique         1.93, 3.22 A)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  15-2:676     63 VAL  HN          5.50    (#    676:15  Single Ambig)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 996, 997, 898,
 &end
#
#    0 AMB  15-2:677     63 VAL  HN          4.50    (#    677:15  Single Ambig)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 999,1000, 979, 980, 979, 980, 996, 997,
 &end
#
#    0 AMB  15-2:678     63 VAL  HN          5.50    (#    678:15  Single Ambig)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1010,1257,1258,
 &end
#
#   63 VAL  HA           63 VAL  HN          4.50    (#    679:15  Unique         2.91, 2.93 A)
 &rst
  ixpk= 679, nxpk= 15, iat=1008,1006, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 PRO  HA           63 VAL  HN          4.50    (#    680:15  Unique         2.21, 2.22 A)
 &rst
  ixpk= 680, nxpk= 15, iat=1002,1006, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 VAL  HA           63 VAL  HN          3.50    (#    681:15  Unique         2.89, 2.91 A)
 &rst
  ixpk= 681, nxpk= 15, iat= 896,1006, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 GLY  HN           63 VAL  HN          2.80    (#    682:15  Unique         2.17, 2.34 A)
 &rst
  ixpk= 682, nxpk= 15, iat=1022,1006, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   63 VAL  MGX          63 VAL  HN          2.80    (#    683:15  Unique         1.93, 3.22 A)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1,1006, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#   63 VAL  MGX          64 GLY  HN          3.50    (#    684:15  Unique         2.14, 4.49 A)
 &rst
  ixpk= 684, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#   19 ILE  MD1          64 GLY  HN          3.50    (#    685:15  Unique         2.12, 3.53 A)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 311, 312, 313,
 &end
#
#    0 AMB  15-2:686     64 GLY  HN          5.50    (#    686:15  Single Ambig)
 &rst
  ixpk= 686, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1362,1363,1364,1366,1367,1368,1244,1245, 900, 901,
       902, 904, 905, 906,1297,1298,1299,1301,1302,1303,
      
 &end
#
#    0 AMB  15-2:687     64 GLY  HN          3.50    (#    687:15  Single Ambig)
 &rst
  ixpk= 687, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1012,1013,1014,1016,1017,1018, 888, 889, 890,
 &end
#
#   62 PRO  HB-          64 GLY  HN          7.00    (#    688:15  Unique         3.58, 4.22 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 999,1000,
 &end
#
#    0 AMB  15-2:689     64 GLY  HN          5.50    (#    689:15  Single Ambig)
 &rst
  ixpk= 689, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 999,1000, 996, 997,
 &end
#
#    0 AMB  15-2:690     64 GLY  HN          7.00    (#    690:15  Single Ambig)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1010,1257,1258,
 &end
#
#   64 GLY  HA-          64 GLY  HN          4.50    (#    691:15  Unique         2.68, 2.80 A)
 &rst
  ixpk= 691, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1024,1025,
 &end
#
#   64 GLY  HA+          64 GLY  HN          3.50    (#    692:15  Unique         2.68, 2.80 A)
 &rst
  ixpk= 692, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1024,1025,
 &end
#
#   63 VAL  HA           64 GLY  HN          4.50    (#    693:15  Unique         2.98, 3.23 A)
 &rst
  ixpk= 693, nxpk= 15, iat=1008,1022, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   55 ALA  HN           64 GLY  HN          4.50    (#    694:15  Unique         2.99, 3.27 A)
 &rst
  ixpk= 694, nxpk= 15, iat= 884,1022, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 VAL  HN           64 GLY  HN          2.80    (#    695:15  Unique         2.17, 2.34 A)
 &rst
  ixpk= 695, nxpk= 15, iat=1006,1022, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 PRO  HA           64 GLY  HN          5.50    (#    696:15  Unique         3.20, 3.32 A)
 &rst
  ixpk= 696, nxpk= 15, iat=1002,1022, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 VAL  HA           64 GLY  HN          5.50    (#    697:15  Unique         4.62, 4.83 A)
 &rst
  ixpk= 697, nxpk= 15, iat= 896,1022, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:698     64 GLY  HN          7.00    (#    698:15  Single Ambig)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 872, 242, 243,
 &end
#
#    0 AMB  15-2:699     64 GLY  HN          4.50    (#    699:15  Single Ambig)
 &rst
  ixpk= 699, nxpk= 15, iat=  -1,1022, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1428,1429,1430,1432,1433,1434, 900, 901, 902, 904,
       905, 906,
 &end
#
#   91 LEU  MDY          65 PHE  HN          3.50    (#    700:15  Unique         2.92, 4.66 A)
 &rst
  ixpk= 700, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  15-2:703     65 PHE  HN          5.50    (#    703:15  Single Ambig)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1218,1219,1426,
 &end
#
#   65 PHE  HB-          65 PHE  HN          5.50    (#    704:15  Unique         3.09, 3.50 A)
 &rst
  ixpk= 704, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1033,1034,
 &end
#
#   65 PHE  HB+          65 PHE  HN          7.00    (#    705:15  Unique         3.09, 3.50 A)
 &rst
  ixpk= 705, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1033,1034,
 &end
#
#   64 GLY  HA-          65 PHE  HN          3.50    (#    706:15  Unique         2.28, 2.58 A)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1024,1025,
 &end
#
#   64 GLY  HA+          65 PHE  HN          2.80    (#    707:15  Unique         2.28, 2.58 A)
 &rst
  ixpk= 707, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1024,1025,
 &end
#
#   65 PHE  HA           65 PHE  HN          4.50    (#    708:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 708, nxpk= 15, iat=1031,1029, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 PHE  HD           65 PHE  HN          4.50    (#    709:15  Unique         2.84, 3.60 A)
 &rst
  ixpk= 709, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1037,1045,
 &end
#
#   77 PHE  HN           65 PHE  HN          3.50    (#    710:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 710, nxpk= 15, iat=1214,1029, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 MET  HN           65 PHE  HN          7.00    (#    711:15  Unique         4.37, 4.41 A)
 &rst
  ixpk= 711, nxpk= 15, iat=1049,1029, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   54 VAL  HA           65 PHE  HN          7.00    (#    712:15  Unique         4.72, 4.84 A)
 &rst
  ixpk= 712, nxpk= 15, iat= 870,1029, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   52 LEU  MDY          66 MET  HN          5.50    (#    717:15  Unique         2.88, 4.55 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#   91 LEU  MDY          66 MET  HN          4.50    (#    718:15  Unique         3.18, 4.60 A)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  15-2:719     66 MET  HN          4.50    (#    719:15  Single Ambig)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 834, 835, 836, 838, 839, 840,1428,1429,1430,1432,
      1433,1434,
 &end
#
#   66 MET  HB-          66 MET  HN          3.50    (#    721:15  Unique         2.58, 2.89 A)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1053,1054,
 &end
#
#   66 MET  HG-          66 MET  HN          7.00    (#    722:15  Unique         4.52, 4.75 A)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1056,1057,
 &end
#
#   66 MET  HG+          66 MET  HN          7.00    (#    723:15  Unique         4.52, 4.75 A)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1056,1057,
 &end
#
#    0 AMB  15-2:724     66 MET  HN          3.50    (#    724:15  Single Ambig)
 &rst
  ixpk= 724, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1033,1034, 848, 849,
 &end
#
#   65 PHE  HB+          66 MET  HN          3.50    (#    725:15  Unique         2.71, 3.46 A)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1033,1034,
 &end
#
#   66 MET  HA           66 MET  HN          4.50    (#    727:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 727, nxpk= 15, iat=1051,1049, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 PHE  HA           66 MET  HN          2.80    (#    728:15  Unique         2.21, 2.25 A)
 &rst
  ixpk= 728, nxpk= 15, iat=1031,1049, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 PHE  HD           66 MET  HN          4.50    (#    729:15  Unique         3.47, 4.73 A)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1037,1045,
 &end
#
#   53 TRP  HN           66 MET  HN          4.50    (#    730:15  Unique         2.58, 2.76 A)
 &rst
  ixpk= 730, nxpk= 15, iat= 844,1049, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 LEU  MDX          67 LEU  HN          7.00    (#    731:15  Unique         3.57, 5.54 A)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 834, 835, 836, 838, 839, 840,
 &end
#
#    0 AMB  15-2:732     67 LEU  HN          5.50    (#    732:15  Single Ambig)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#   67 LEU  HB-          67 LEU  HN          4.50    (#    733:15  Unique         2.33, 2.68 A)
 &rst
  ixpk= 733, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   76 LEU  HB-          67 LEU  HN          7.00    (#    734:15  Unique         3.64, 4.51 A)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1199,1200,
 &end
#
#   75 ALA  MB           67 LEU  HN          4.50    (#    735:15  Unique         4.41, 5.28 A)
 &rst
  ixpk= 735, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1189,1190,1191,
 &end
#
#   67 LEU  HB+          67 LEU  HN          3.50    (#    736:15  Unique         2.33, 2.68 A)
 &rst
  ixpk= 736, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1070,1071,
 &end
#
#   66 MET  HB+          67 LEU  HN          4.50    (#    737:15  Unique         4.30, 4.40 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1053,1054,
 &end
#
#   66 MET  HG-          67 LEU  HN          5.50    (#    738:15  Unique         3.01, 3.99 A)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1056,1057,
 &end
#
#   66 MET  HG+          67 LEU  HN          5.50    (#    739:15  Unique         3.01, 3.99 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1056,1057,
 &end
#
#   67 LEU  HA           67 LEU  HN          4.50    (#    740:15  Unique         2.92, 2.93 A)
 &rst
  ixpk= 740, nxpk= 15, iat=1068,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 MET  HA           67 LEU  HN          2.80    (#    741:15  Unique         2.14, 2.15 A)
 &rst
  ixpk= 741, nxpk= 15, iat=1051,1066, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 ALA  HN           67 LEU  HN          4.50    (#    742:15  Unique         3.42, 3.46 A)
 &rst
  ixpk= 742, nxpk= 15, iat=1185,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 LEU  HN           67 LEU  HN          7.00    (#    743:15  Unique         3.97, 4.15 A)
 &rst
  ixpk= 743, nxpk= 15, iat=1085,1066, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:744     68 LEU  HN          4.50    (#    744:15  Single Ambig)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1094,1095,1096,1098,1099,1100, 834, 835, 836, 838,
       839, 840,
 &end
#
#   68 LEU  MDY          68 LEU  HN          5.50    (#    745:15  Unique         4.55, 5.53 A)
 &rst
  ixpk= 745, nxpk= 15, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  15-2:746     68 LEU  HN          3.50    (#    746:15  Single Ambig)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#   67 LEU  HB-          68 LEU  HN          5.50    (#    747:15  Unique         4.13, 4.43 A)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1070,1071,
 &end
#
#   68 LEU  HB-          68 LEU  HN          3.50    (#    748:15  Unique         2.56, 3.02 A)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1089,1090,
 &end
#
#   68 LEU  HB+          68 LEU  HN          3.50    (#    749:15  Unique         2.56, 3.02 A)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1089,1090,
 &end
#
#   68 LEU  HA           68 LEU  HN          3.50    (#    750:15  Unique         2.91, 2.93 A)
 &rst
  ixpk= 750, nxpk= 15, iat=1087,1085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 TRP  HD1          68 LEU  HN          4.50    (#    751:15  Unique         3.10, 3.30 A)
 &rst
  ixpk= 751, nxpk= 15, iat= 852,1085, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 LEU  HN           68 LEU  HN          7.00    (#    752:15  Unique         3.97, 4.15 A)
 &rst
  ixpk= 752, nxpk= 15, iat=1066,1085, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   67 LEU  HA           68 LEU  HN          2.80    (#    753:15  Unique         2.17, 2.19 A)
 &rst
  ixpk= 753, nxpk= 15, iat=1068,1085, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 LEU  MDX          69 SER  HN          4.50    (#    754:15  Unique         3.12, 4.75 A)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   68 LEU  MDY          69 SER  HN          7.00    (#    755:15  Unique         3.12, 4.75 A)
 &rst
  ixpk= 755, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   68 LEU  HG           69 SER  HN          4.50    (#    756:15  Unique         2.69, 2.94 A)
 &rst
  ixpk= 756, nxpk= 15, iat=1092,1104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:757     69 SER  HN          4.50    (#    757:15  Single Ambig)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1089,1090,1586,1587,
 &end
#
#   72 HIS  HB+          69 SER  HN          5.50    (#    758:15  Unique         2.70, 4.50 A)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1143,1144,
 &end
#
#   69 SER  HB-          69 SER  HN          4.50    (#    759:15  Unique         2.55, 2.87 A)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1108,1109,
 &end
#
#   69 SER  HB+          69 SER  HN          3.50    (#    760:15  Unique         2.55, 2.87 A)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1108,1109,
 &end
#
#    0 AMB  15-2:761     69 SER  HN          7.00    (#    761:15  Single Ambig)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1124,1175,
 &end
#
#   69 SER  HA           69 SER  HN          4.50    (#    762:15  Unique         2.95, 2.95 A)
 &rst
  ixpk= 762, nxpk= 15, iat=1106,1104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 MET  HA           69 SER  HN          4.50    (#    763:15  Unique         3.66, 4.08 A)
 &rst
  ixpk= 763, nxpk= 15, iat=1158,1104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 LEU  HA           69 SER  HN          2.80    (#    764:15  Unique         2.14, 2.15 A)
 &rst
  ixpk= 764, nxpk= 15, iat=1087,1104, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 HIS  HN           69 SER  HN          4.50    (#    765:15  Unique         2.96, 3.13 A)
 &rst
  ixpk= 765, nxpk= 15, iat=1139,1104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 ASP  HN           69 SER  HN          4.50    (#    766:15  Unique         3.95, 4.24 A)
 &rst
  ixpk= 766, nxpk= 15, iat=1173,1104, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:767     69 SER  HN          7.00    (#    767:15  Single Ambig)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1,1104, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1115,1156,
 &end
#
#   70 GLY  HA-          70 GLY  HN          4.50    (#    768:15  Unique         2.30, 2.60 A)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1117,1118,
 &end
#
#   70 GLY  HA+          70 GLY  HN          3.50    (#    769:15  Unique         2.30, 2.60 A)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1117,1118,
 &end
#
#   69 SER  HA           70 GLY  HN          3.50    (#    770:15  Unique         2.15, 2.19 A)
 &rst
  ixpk= 770, nxpk= 15, iat=1106,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 ALA  MB           71 GLN  HN          7.00    (#    771:15  Unique         2.08, 4.74 A)
 &rst
  ixpk= 771, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1547,1548,1549,
 &end
#
#   71 GLN  HB-          71 GLN  HN          3.50    (#    772:15  Unique         2.80, 3.49 A)
 &rst
  ixpk= 772, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1126,1127,
 &end
#
#   71 GLN  HG-          71 GLN  HN          4.50    (#    773:15  Unique         2.48, 3.57 A)
 &rst
  ixpk= 773, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1129,1130,
 &end
#
#   71 GLN  HG+          71 GLN  HN          4.50    (#    774:15  Unique         2.48, 3.57 A)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1129,1130,
 &end
#
#   71 GLN  HB+          71 GLN  HN          4.50    (#    775:15  Unique         2.80, 3.49 A)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1126,1127,
 &end
#
#   72 HIS  HB-          71 GLN  HN          5.50    (#    776:15  Unique         3.53, 4.22 A)
 &rst
  ixpk= 776, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1143,1144,
 &end
#
#   72 HIS  HB+          71 GLN  HN          7.00    (#    777:15  Unique         3.53, 4.22 A)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1143,1144,
 &end
#
#   70 GLY  HA-          71 GLN  HN          2.80    (#    778:15  Unique         2.25, 2.94 A)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1117,1118,
 &end
#
#   70 GLY  HA+          71 GLN  HN          2.80    (#    779:15  Unique         2.25, 2.94 A)
 &rst
  ixpk= 779, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1117,1118,
 &end
#
#   71 GLN  HA           71 GLN  HN          3.50    (#    780:15  Unique         2.27, 2.78 A)
 &rst
  ixpk= 780, nxpk= 15, iat=1124,1122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:782     71 GLN  HN          7.00    (#    782:15  Single Ambig)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1141,1087,
 &end
#
#   72 HIS  HN           71 GLN  HN          3.50    (#    783:15  Unique         2.04, 2.49 A)
 &rst
  ixpk= 783, nxpk= 15, iat=1139,1122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 GLY  HN           71 GLN  HN          5.50    (#    784:15  Unique         2.88, 3.84 A)
 &rst
  ixpk= 784, nxpk= 15, iat=1115,1122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 LEU  MDX          72 HIS  HN          5.50    (#    785:15  Unique         1.94, 4.01 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   99 ALA  MB           72 HIS  HN          7.00    (#    786:15  Unique         4.29, 4.80 A)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1547,1548,1549,
 &end
#
#   71 GLN  HB-          72 HIS  HN          4.50    (#    787:15  Unique         4.01, 4.34 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1126,1127,
 &end
#
#    0 AMB  15-2:788     72 HIS  HN          7.00    (#    788:15  Single Ambig)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1160,1161,1129,1130,
 &end
#
#   71 GLN  HB+          72 HIS  HN          5.50    (#    789:15  Unique         4.01, 4.34 A)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1126,1127,
 &end
#
#   72 HIS  HB-          72 HIS  HN          3.50    (#    790:15  Unique         2.76, 3.22 A)
 &rst
  ixpk= 790, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1143,1144,
 &end
#
#   72 HIS  HB+          72 HIS  HN          2.80    (#    791:15  Unique         2.76, 3.22 A)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1143,1144,
 &end
#
#   70 GLY  HA-          72 HIS  HN          5.50    (#    792:15  Unique         3.89, 4.71 A)
 &rst
  ixpk= 792, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1117,1118,
 &end
#
#    0 AMB  15-2:793     72 HIS  HN          4.50    (#    793:15  Single Ambig)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1117,1118,1108,1109,
 &end
#
#   71 GLN  HA           72 HIS  HN          3.50    (#    794:15  Unique         2.64, 2.77 A)
 &rst
  ixpk= 794, nxpk= 15, iat=1124,1139, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 SER  HA           72 HIS  HN          7.00    (#    795:15  Unique         4.40, 4.94 A)
 &rst
  ixpk= 795, nxpk= 15, iat=1106,1139, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:796     72 HIS  HN          3.50    (#    796:15  Single Ambig)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1141,1087,
 &end
#
#   71 GLN  HN           72 HIS  HN          2.80    (#    798:15  Unique         2.04, 2.49 A)
 &rst
  ixpk= 798, nxpk= 15, iat=1122,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 MET  HN           72 HIS  HN          5.50    (#    799:15  Unique         3.69, 4.09 A)
 &rst
  ixpk= 799, nxpk= 15, iat=1156,1139, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 SER  HN           72 HIS  HN          4.50    (#    800:15  Unique         2.96, 3.13 A)
 &rst
  ixpk= 800, nxpk= 15, iat=1104,1139, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 LEU  MDX          73 MET  HN          5.50    (#    801:15  Unique         3.09, 5.40 A)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  102 LEU  MDX          73 MET  HN          3.50    (#    802:15  Unique         2.39, 4.82 A)
 &rst
  ixpk= 802, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  15-2:803     73 MET  HN          5.50    (#    803:15  Single Ambig)
 &rst
  ixpk= 803, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1589,1092,1490,1491,1492,
 &end
#
#   73 MET  HB-          73 MET  HN          3.50    (#    804:15  Unique         2.30, 2.63 A)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1160,1161,
 &end
#
#    0 AMB  15-2:805     73 MET  HN          5.50    (#    805:15  Single Ambig)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1586,1587,1089,1090,
 &end
#
#   73 MET  HB+          73 MET  HN          2.80    (#    806:15  Unique         2.30, 2.63 A)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1160,1161,
 &end
#
#   73 MET  HG-          73 MET  HN          5.50    (#    807:15  Unique         4.27, 4.53 A)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1163,1164,
 &end
#
#   72 HIS  HB-          73 MET  HN          4.50    (#    808:15  Unique         3.19, 4.18 A)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1143,1144,
 &end
#
#   72 HIS  HB+          73 MET  HN          5.50    (#    809:15  Unique         3.19, 4.18 A)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1143,1144,
 &end
#
#  104 THR  HA           73 MET  HN          4.50    (#    810:15  Unique         3.22, 3.36 A)
 &rst
  ixpk= 810, nxpk= 15, iat=1617,1156, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 THR  HB           73 MET  HN          4.50    (#    811:15  Unique         3.88, 4.36 A)
 &rst
  ixpk= 811, nxpk= 15, iat=1619,1156, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 MET  HA           73 MET  HN          3.50    (#    813:15  Unique         2.90, 2.91 A)
 &rst
  ixpk= 813, nxpk= 15, iat=1158,1156, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 HIS  HA           73 MET  HN          2.80    (#    814:15  Unique         2.14, 2.16 A)
 &rst
  ixpk= 814, nxpk= 15, iat=1141,1156, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 THR  HN           73 MET  HN          4.50    (#    816:15  Unique         2.82, 2.98 A)
 &rst
  ixpk= 816, nxpk= 15, iat=1601,1156, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 LEU  MDX          74 ASP  HN          5.50    (#    817:15  Unique         3.81, 6.30 A)
 &rst
  ixpk= 817, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  15-2:818     74 ASP  HN          5.50    (#    818:15  Single Ambig)
 &rst
  ixpk= 818, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#   73 MET  HB-          74 ASP  HN          4.50    (#    819:15  Unique         3.94, 4.36 A)
 &rst
  ixpk= 819, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1160,1161,
 &end
#
#   67 LEU  HG           74 ASP  HN          5.50    (#    820:15  Unique         2.68, 3.94 A)
 &rst
  ixpk= 820, nxpk= 15, iat=1073,1173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 MET  HB+          74 ASP  HN          5.50    (#    821:15  Unique         3.94, 4.36 A)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1160,1161,
 &end
#
#   73 MET  HG-          74 ASP  HN          4.50    (#    822:15  Unique         2.97, 3.80 A)
 &rst
  ixpk= 822, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1163,1164,
 &end
#
#   74 ASP  HB-          74 ASP  HN          3.50    (#    823:15  Unique         2.09, 2.73 A)
 &rst
  ixpk= 823, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1177,1178,
 &end
#
#   74 ASP  HB+          74 ASP  HN          4.50    (#    824:15  Unique         2.09, 2.73 A)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1177,1178,
 &end
#
#   74 ASP  HA           74 ASP  HN          3.50    (#    825:15  Unique         2.79, 2.86 A)
 &rst
  ixpk= 825, nxpk= 15, iat=1175,1173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 MET  HA           74 ASP  HN          2.80    (#    826:15  Unique         2.14, 2.16 A)
 &rst
  ixpk= 826, nxpk= 15, iat=1158,1173, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 LEU  HA           74 ASP  HN          3.50    (#    827:15  Unique         2.81, 3.02 A)
 &rst
  ixpk= 827, nxpk= 15, iat=1087,1173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 HIS  HD2          74 ASP  HN          5.50    (#    828:15  Unique         2.83, 3.30 A)
 &rst
  ixpk= 828, nxpk= 15, iat=1152,1173, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 ALA  HN           74 ASP  HN          3.50    (#    829:15  Unique         2.15, 2.51 A)
 &rst
  ixpk= 829, nxpk= 15, iat=1185,1173, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 MET  HN           74 ASP  HN          7.00    (#    830:15  Unique         4.12, 4.30 A)
 &rst
  ixpk= 830, nxpk= 15, iat=1156,1173, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:831     74 ASP  HN          4.50    (#    831:15  Single Ambig)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1104,1085,
 &end
#
#   73 MET  HG+          74 ASP  HN          4.50    (#    832:15  Unique         2.97, 3.80 A)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1,1173, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1163,1164,
 &end
#
#    0 AMB  15-2:833     75 ALA  HN          5.50    (#    833:15  Single Ambig)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1075,1076,1077,1079,1080,1081,1075,1076,1077,1079,
      1080,1081,
 &end
#
#   67 LEU  HB-          75 ALA  HN          4.50    (#    834:15  Unique         1.92, 2.94 A)
 &rst
  ixpk= 834, nxpk= 15, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   75 ALA  MB           75 ALA  HN          3.50    (#    835:15  Unique         2.95, 3.56 A)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1189,1190,1191,
 &end
#
#   67 LEU  HG           75 ALA  HN          5.50    (#    836:15  Unique         3.21, 4.00 A)
 &rst
  ixpk= 836, nxpk= 15, iat=1073,1185, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 MET  HG+          75 ALA  HN          3.50    (#    837:15  Unique         2.67, 3.54 A)
 &rst
  ixpk= 837, nxpk= 15, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1163,1164,
 &end
#
#   73 MET  HG-          75 ALA  HN          4.50    (#    838:15  Unique         2.67, 3.54 A)
 &rst
  ixpk= 838, nxpk= 15, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1163,1164,
 &end
#
#   74 ASP  HB-          75 ALA  HN          3.50    (#    839:15  Unique         2.31, 3.11 A)
 &rst
  ixpk= 839, nxpk= 15, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1177,1178,
 &end
#
#   74 ASP  HB+          75 ALA  HN          4.50    (#    840:15  Unique         2.31, 3.11 A)
 &rst
  ixpk= 840, nxpk= 15, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1177,1178,
 &end
#
#   74 ASP  HA           75 ALA  HN          4.50    (#    841:15  Unique         3.50, 3.53 A)
 &rst
  ixpk= 841, nxpk= 15, iat=1175,1185, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 ALA  HA           75 ALA  HN          4.50    (#    842:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 842, nxpk= 15, iat=1187,1185, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 MET  HA           75 ALA  HN          4.50    (#    843:15  Unique         3.71, 3.80 A)
 &rst
  ixpk= 843, nxpk= 15, iat=1158,1185, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 LEU  HA           75 ALA  HN          5.50    (#    844:15  Unique         4.74, 4.87 A)
 &rst
  ixpk= 844, nxpk= 15, iat=1087,1185, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 MET  HA           75 ALA  HN          5.50    (#    845:15  Unique         5.25, 5.33 A)
 &rst
  ixpk= 845, nxpk= 15, iat=1051,1185, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HN           75 ALA  HN          3.50    (#    846:15  Unique         2.15, 2.51 A)
 &rst
  ixpk= 846, nxpk= 15, iat=1173,1185, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 LEU  HN           75 ALA  HN          3.50    (#    847:15  Unique         3.42, 3.46 A)
 &rst
  ixpk= 847, nxpk= 15, iat=1066,1185, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 LEU  MDY          77 PHE  HN          7.00    (#    848:15  Unique         4.79, 6.48 A)
 &rst
  ixpk= 848, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#   76 LEU  MDX          77 PHE  HN          4.50    (#    849:15  Unique         2.78, 5.38 A)
 &rst
  ixpk= 849, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1204,1205,1206,1208,1209,1210,
 &end
#
#   76 LEU  MDY          77 PHE  HN          3.50    (#    850:15  Unique         2.78, 5.38 A)
 &rst
  ixpk= 850, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1204,1205,1206,1208,1209,1210,
 &end
#
#   76 LEU  HG           77 PHE  HN          4.50    (#    851:15  Unique         3.93, 4.00 A)
 &rst
  ixpk= 851, nxpk= 15, iat=1202,1214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 PHE  HB-          77 PHE  HN          4.50    (#    852:15  Unique         2.45, 3.09 A)
 &rst
  ixpk= 852, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1218,1219,
 &end
#
#   76 LEU  HB-          77 PHE  HN          5.50    (#    853:15  Unique         4.35, 4.49 A)
 &rst
  ixpk= 853, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1199,1200,
 &end
#
#   75 ALA  MB           77 PHE  HN          5.50    (#    854:15  Unique         4.23, 5.20 A)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1189,1190,1191,
 &end
#
#   77 PHE  HB+          77 PHE  HN          4.50    (#    855:15  Unique         2.45, 3.09 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1218,1219,
 &end
#
#   77 PHE  HA           77 PHE  HN          4.50    (#    856:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 856, nxpk= 15, iat=1216,1214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LEU  HA           77 PHE  HN          3.50    (#    857:15  Unique         2.21, 2.24 A)
 &rst
  ixpk= 857, nxpk= 15, iat=1197,1214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 MET  HA           77 PHE  HN          4.50    (#    858:15  Unique         4.24, 4.42 A)
 &rst
  ixpk= 858, nxpk= 15, iat=1051,1214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:859     77 PHE  HN          4.50    (#    859:15  Single Ambig)
 &rst
  ixpk= 859, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1039,1043,1037,1045,
 &end
#
#   65 PHE  HN           77 PHE  HN          4.50    (#    860:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 860, nxpk= 15, iat=1029,1214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 LEU  HB+          77 PHE  HN          5.50    (#    861:15  Unique         4.35, 4.49 A)
 &rst
  ixpk= 861, nxpk= 15, iat=  -1,1214, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1199,1200,
 &end
#
#    0 AMB  15-2:862     81 ASP  HN          5.50    (#    862:15  Single Ambig)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1297,1298,1299,1301,1302,1303,1012,1013,1014,1016,
      1017,1018,
 &end
#
#    0 AMB  15-2:863     81 ASP  HN          4.50    (#    863:15  Single Ambig)
 &rst
  ixpk= 863, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1269,1270,1269,1270,
 &end
#
#   80 PRO  HB-          81 ASP  HN          4.50    (#    864:15  Unique         3.11, 3.80 A)
 &rst
  ixpk= 864, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1272,1273,
 &end
#
#   80 PRO  HB+          81 ASP  HN          7.00    (#    865:15  Unique         3.11, 3.80 A)
 &rst
  ixpk= 865, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1272,1273,
 &end
#
#    0 AMB  15-2:866     81 ASP  HN          2.80    (#    866:15  Single Ambig)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1283,1284,1283,1284,
 &end
#
#   79 ASP  HB+          81 ASP  HN          5.50    (#    867:15  Unique         2.37, 3.56 A)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1257,1258,
 &end
#
#   80 PRO  HD+          81 ASP  HN          5.50    (#    868:15  Unique         2.65, 3.26 A)
 &rst
  ixpk= 868, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1266,1267,
 &end
#
#   80 PRO  HA           81 ASP  HN          5.50    (#    869:15  Unique         3.45, 3.50 A)
 &rst
  ixpk= 869, nxpk= 15, iat=1275,1279, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   81 ASP  HA           81 ASP  HN          3.50    (#    870:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 870, nxpk= 15, iat=1281,1279, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 VAL  HN           81 ASP  HN          3.50    (#    872:15  Unique         2.66, 2.79 A)
 &rst
  ixpk= 872, nxpk= 15, iat=1291,1279, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 ASP  HB-          81 ASP  HN          5.50    (#    873:15  Unique         2.37, 3.56 A)
 &rst
  ixpk= 873, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1257,1258,
 &end
#
#   80 PRO  HD-          81 ASP  HN          7.00    (#    874:15  Unique         2.65, 3.26 A)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1,1279, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1266,1267,
 &end
#
#   82 VAL  MGX          82 VAL  HN          4.50    (#    875:15  Unique         1.94, 3.26 A)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   82 VAL  MGY          82 VAL  HN          3.50    (#    876:15  Unique         1.94, 3.26 A)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  15-2:877     82 VAL  HN          7.00    (#    877:15  Single Ambig)
 &rst
  ixpk= 877, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1314,1315,1314,1315,
 &end
#
#    0 AMB  15-2:878     82 VAL  HN          7.00    (#    878:15  Single Ambig)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1311,1312,1311,1312,
 &end
#
#   82 VAL  HB           82 VAL  HN          4.50    (#    879:15  Unique         3.62, 3.66 A)
 &rst
  ixpk= 879, nxpk= 15, iat=1295,1291, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 ASP  HB-          82 VAL  HN          5.50    (#    880:15  Unique         2.71, 3.90 A)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1257,1258,
 &end
#
#    0 AMB  15-2:881     82 VAL  HN          4.50    (#    881:15  Single Ambig)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1283,1284,1283,1284,
 &end
#
#   79 ASP  HB+          82 VAL  HN          5.50    (#    882:15  Unique         2.71, 3.90 A)
 &rst
  ixpk= 882, nxpk= 15, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1257,1258,
 &end
#
#   83 ARG  HA           82 VAL  HN          7.00    (#    883:15  Unique         4.27, 4.55 A)
 &rst
  ixpk= 883, nxpk= 15, iat=1309,1291, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   80 PRO  HA           82 VAL  HN          5.50    (#    884:15  Unique         3.51, 3.95 A)
 &rst
  ixpk= 884, nxpk= 15, iat=1275,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   81 ASP  HA           82 VAL  HN          5.50    (#    885:15  Unique         3.42, 3.50 A)
 &rst
  ixpk= 885, nxpk= 15, iat=1281,1291, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   82 VAL  HA           82 VAL  HN          3.50    (#    886:15  Unique         2.83, 2.93 A)
 &rst
  ixpk= 886, nxpk= 15, iat=1293,1291, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 ARG  HN           82 VAL  HN          3.50    (#    887:15  Unique         2.27, 2.50 A)
 &rst
  ixpk= 887, nxpk= 15, iat=1307,1291, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 ASP  HN           82 VAL  HN          3.50    (#    888:15  Unique         2.66, 2.79 A)
 &rst
  ixpk= 888, nxpk= 15, iat=1279,1291, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 VAL  MGX          83 ARG  HN          7.00    (#    889:15  Unique         2.39, 4.74 A)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1,1307, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   82 VAL  MGY          83 ARG  HN          7.00    (#    890:15  Unique         2.39, 4.74 A)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1,1307, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#    0 AMB  15-2:891     83 ARG  HN          4.50    (#    891:15  Single Ambig)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1,1307, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1314,1315,1314,1315,
 &end
#
#   83 ARG  HB+          83 ARG  HN          3.50    (#    892:15  Unique         2.06, 2.60 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1,1307, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1311,1312,
 &end
#
#    0 AMB  15-2:893     83 ARG  HN          7.00    (#    893:15  Single Ambig)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1,1307, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1317,1318,1317,1318,
 &end
#
#   83 ARG  HA           83 ARG  HN          4.50    (#    894:15  Unique         2.75, 2.79 A)
 &rst
  ixpk= 894, nxpk= 15, iat=1309,1307, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 PRO  HA           83 ARG  HN          7.00    (#    895:15  Unique         2.92, 3.26 A)
 &rst
  ixpk= 895, nxpk= 15, iat=1275,1307, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   81 ASP  HA           83 ARG  HN          7.00    (#    896:15  Unique         3.81, 3.97 A)
 &rst
  ixpk= 896, nxpk= 15, iat=1281,1307, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   82 VAL  HA           83 ARG  HN          4.50    (#    897:15  Unique         2.86, 3.10 A)
 &rst
  ixpk= 897, nxpk= 15, iat=1293,1307, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 VAL  HN           83 ARG  HN          3.50    (#    899:15  Unique         2.27, 2.50 A)
 &rst
  ixpk= 899, nxpk= 15, iat=1291,1307, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 ASP  HN           83 ARG  HN          7.00    (#    900:15  Unique         3.82, 4.08 A)
 &rst
  ixpk= 900, nxpk= 15, iat=1279,1307, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   78 ILE  MD1          87 VAL  HN          7.00    (#    901:15  Unique         4.76, 5.93 A)
 &rst
  ixpk= 901, nxpk= 15, iat=  -1,1356, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1247,1248,1249,
 &end
#
#   87 VAL  MGY          87 VAL  HN          4.50    (#    902:15  Unique         1.93, 3.72 A)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1,1356, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1362,1363,1364,1366,1367,1368,
 &end
#
#   87 VAL  MGX          87 VAL  HN          3.50    (#    903:15  Unique         1.93, 3.72 A)
 &rst
  ixpk= 903, nxpk= 15, iat=  -1,1356, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1362,1363,1364,1366,1367,1368,
 &end
#
#   82 VAL  MGY          87 VAL  HN          7.00    (#    904:15  Unique         3.90, 5.45 A)
 &rst
  ixpk= 904, nxpk= 15, iat=  -1,1356, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1297,1298,1299,1301,1302,1303,
 &end
#
#   87 VAL  HB           87 VAL  HN          3.50    (#    905:15  Unique         2.50, 2.63 A)
 &rst
  ixpk= 905, nxpk= 15, iat=1360,1356, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 VAL  HA           87 VAL  HN          4.50    (#    906:15  Unique         2.75, 2.79 A)
 &rst
  ixpk= 906, nxpk= 15, iat=1358,1356, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 GLY  HA-          87 VAL  HN          7.00    (#    907:15  Unique         2.80, 3.26 A)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1,1356, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1351,1352,
 &end
#
#   86 GLY  HA+          87 VAL  HN          7.00    (#    908:15  Unique         2.80, 3.26 A)
 &rst
  ixpk= 908, nxpk= 15, iat=  -1,1356, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1351,1352,
 &end
#
#   88 GLY  HN           87 VAL  HN          5.50    (#    910:15  Unique         2.17, 2.68 A)
 &rst
  ixpk= 910, nxpk= 15, iat=1372,1356, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ILE  MD1          88 GLY  HN          5.50    (#    911:15  Unique         3.24, 4.20 A)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1,1372, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1247,1248,1249,
 &end
#
#   87 VAL  MGY          88 GLY  HN          4.50    (#    912:15  Unique         3.79, 4.63 A)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1,1372, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  15-2:913     88 GLY  HN          5.50    (#    913:15  Single Ambig)
 &rst
  ixpk= 913, nxpk= 15, iat=  -1,1372, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1362,1363,1364,1366,1367,1368,1297,1298,1299,1301,
      1302,1303,
 &end
#
#   87 VAL  HB           88 GLY  HN          4.50    (#    914:15  Unique         2.62, 2.78 A)
 &rst
  ixpk= 914, nxpk= 15, iat=1360,1372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 GLY  HA-          88 GLY  HN          3.50    (#    915:15  Unique         2.29, 2.53 A)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1,1372, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   88 GLY  HA+          88 GLY  HN          3.50    (#    916:15  Unique         2.29, 2.53 A)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1,1372, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   87 VAL  HN           88 GLY  HN          4.50    (#    917:15  Unique         2.17, 2.68 A)
 &rst
  ixpk= 917, nxpk= 15, iat=1356,1372, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:918     90 VAL  HN          7.00    (#    918:15  Single Ambig)
 &rst
  ixpk= 918, nxpk= 15, iat=  -1,1403, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1247,1248,1249,  80,  81,  82,
 &end
#
#   87 VAL  MGY          90 VAL  HN          4.50    (#    919:15  Unique         4.08, 5.46 A)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1,1403, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  15-2:920     90 VAL  HN          5.50    (#    920:15  Single Ambig)
 &rst
  ixpk= 920, nxpk= 15, iat=  -1,1403, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  43,  44,  45,1428,1429,1430,1432,1433,1434,
 &end
#
#   90 VAL  MGY          90 VAL  HN          3.50    (#    921:15  Unique         1.94, 3.73 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,1403, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#   90 VAL  MGX          90 VAL  HN          2.80    (#    922:15  Unique         1.94, 3.73 A)
 &rst
  ixpk= 922, nxpk= 15, iat=  -1,1403, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#    0 AMB  15-2:924     90 VAL  HN          4.50    (#    924:15  Single Ambig)
 &rst
  ixpk= 924, nxpk= 15, iat=  -1,1403, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1423,1424,1386,1387,
 &end
#
#    0 AMB  15-2:925     90 VAL  HN          2.80    (#    925:15  Single Ambig)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1,1403, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1383,1384,1383,1384,
 &end
#
#   90 VAL  HB           90 VAL  HN          2.80    (#    926:15  Unique         2.54, 2.57 A)
 &rst
  ixpk= 926, nxpk= 15, iat=1407,1403, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   87 VAL  HA           90 VAL  HN          4.50    (#    927:15  Unique         2.86, 2.90 A)
 &rst
  ixpk= 927, nxpk= 15, iat=1358,1403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 VAL  HA           90 VAL  HN          3.50    (#    928:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 928, nxpk= 15, iat=1405,1403, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 ARG  HA           90 VAL  HN          4.50    (#    929:15  Unique         3.44, 3.46 A)
 &rst
  ixpk= 929, nxpk= 15, iat=1381,1403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 ARG  HN           90 VAL  HN          3.50    (#    930:15  Unique         2.13, 2.16 A)
 &rst
  ixpk= 930, nxpk= 15, iat=1379,1403, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 VAL  HN           90 VAL  HN          7.00    (#    931:15  Unique         3.93, 3.96 A)
 &rst
  ixpk= 931, nxpk= 15, iat=1438,1403, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   91 LEU  MDY          91 LEU  HN          4.50    (#    932:15  Unique         4.18, 4.67 A)
 &rst
  ixpk= 932, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  15-2:933     91 LEU  HN          5.50    (#    933:15  Single Ambig)
 &rst
  ixpk= 933, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1247,1248,1249,  80,  81,  82,
 &end
#
#   91 LEU  MDX          91 LEU  HN          3.50    (#    934:15  Unique         4.18, 4.67 A)
 &rst
  ixpk= 934, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  15-2:935     91 LEU  HN          3.50    (#    935:15  Single Ambig)
 &rst
  ixpk= 935, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1409,1410,1411,1413,1414,1415,1444,1445,1446,1448,
      1449,1450,
 &end
#
#   90 VAL  MGX          91 LEU  HN          4.50    (#    936:15  Unique         3.28, 4.23 A)
 &rst
  ixpk= 936, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#    0 AMB  15-2:937     91 LEU  HN          5.50    (#    937:15  Single Ambig)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1444,1445,1446,1448,1449,1450,1202,
 &end
#
#   91 LEU  HG           91 LEU  HN          2.80    (#    938:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 938, nxpk= 15, iat=1426,1419, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 LEU  HB-          91 LEU  HN          3.50    (#    939:15  Unique         2.20, 2.85 A)
 &rst
  ixpk= 939, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#   91 LEU  HB+          91 LEU  HN          2.80    (#    940:15  Unique         2.20, 2.85 A)
 &rst
  ixpk= 940, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1423,1424,
 &end
#
#   90 VAL  HB           91 LEU  HN          3.50    (#    941:15  Unique         2.14, 2.20 A)
 &rst
  ixpk= 941, nxpk= 15, iat=1407,1419, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 VAL  HA           91 LEU  HN          5.50    (#    943:15  Unique         3.79, 3.90 A)
 &rst
  ixpk= 943, nxpk= 15, iat=1358,1419, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 GLY  HA+          91 LEU  HN          7.00    (#    944:15  Unique         4.32, 5.02 A)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1374,1375,
 &end
#
#   90 VAL  HA           91 LEU  HN          4.50    (#    945:15  Unique         3.57, 3.57 A)
 &rst
  ixpk= 945, nxpk= 15, iat=1405,1419, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 LEU  HA           91 LEU  HN          3.50    (#    946:15  Unique         2.76, 2.78 A)
 &rst
  ixpk= 946, nxpk= 15, iat=1421,1419, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:947     91 LEU  HN          7.00    (#    947:15  Single Ambig)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1,1419, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1379,1372,
 &end
#
#   92 VAL  HN           91 LEU  HN          4.50    (#    948:15  Unique         2.71, 2.75 A)
 &rst
  ixpk= 948, nxpk= 15, iat=1438,1419, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 GLU  HN           91 LEU  HN          7.00    (#    949:15  Unique         4.11, 4.21 A)
 &rst
  ixpk= 949, nxpk= 15, iat=1454,1419, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   91 LEU  MDY          92 VAL  HN          5.50    (#    950:15  Unique         4.96, 5.76 A)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  15-2:951     92 VAL  HN          4.50    (#    951:15  Single Ambig)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1428,1429,1430,1432,1433,1434,1875,1876,1877,1879,
      1880,1881,1875,1876,1877,1879,1880,1881,
 &end
#
#   92 VAL  MGY          92 VAL  HN          3.50    (#    952:15  Unique         2.09, 3.79 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#   92 VAL  MGX          92 VAL  HN          2.80    (#    953:15  Unique         2.09, 3.79 A)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  15-2:954     92 VAL  HN          5.50    (#    954:15  Single Ambig)
 &rst
  ixpk= 954, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1426,1500,1501,
 &end
#
#   91 LEU  HB-          92 VAL  HN          4.50    (#    955:15  Unique         2.82, 3.11 A)
 &rst
  ixpk= 955, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1423,1424,
 &end
#
#   91 LEU  HB+          92 VAL  HN          3.50    (#    956:15  Unique         2.82, 3.11 A)
 &rst
  ixpk= 956, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#    0 AMB  15-2:957     92 VAL  HN          5.50    (#    957:15  Single Ambig)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1458,1459,1407,
 &end
#
#   92 VAL  HB           92 VAL  HN          2.80    (#    958:15  Unique         2.43, 2.50 A)
 &rst
  ixpk= 958, nxpk= 15, iat=1442,1438, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 VAL  HA           92 VAL  HN          3.50    (#    959:15  Unique         2.82, 2.82 A)
 &rst
  ixpk= 959, nxpk= 15, iat=1440,1438, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:960     92 VAL  HN          5.50    (#    960:15  Single Ambig)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1405,1456,
 &end
#
#    0 AMB  15-2:961     92 VAL  HN          3.50    (#    961:15  Single Ambig)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1,1438, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1381,1421,
 &end
#
#   91 LEU  HN           92 VAL  HN          3.50    (#    962:15  Unique         2.71, 2.75 A)
 &rst
  ixpk= 962, nxpk= 15, iat=1419,1438, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLU  HN           92 VAL  HN          3.50    (#    963:15  Unique         2.60, 2.62 A)
 &rst
  ixpk= 963, nxpk= 15, iat=1454,1438, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:964     93 GLU  HN          5.50    (#    964:15  Single Ambig)
 &rst
  ixpk= 964, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#    0 AMB  15-2:965     93 GLU  HN          7.00    (#    965:15  Single Ambig)
 &rst
  ixpk= 965, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,1428,1429,1430,1432,1433,1434,
 &end
#
#    0 AMB  15-2:966     93 GLU  HN          3.50    (#    966:15  Single Ambig)
 &rst
  ixpk= 966, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1444,1445,1446,1448,1449,1450,1409,1410,1411,1413,
      1414,1415,
 &end
#
#   92 VAL  MGX          93 GLU  HN          4.50    (#    967:15  Unique         3.56, 4.58 A)
 &rst
  ixpk= 967, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#    0 AMB  15-2:968     93 GLU  HN          5.50    (#    968:15  Single Ambig)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1386,1387,1423,1424,1490,1491,1492,
 &end
#
#   93 GLU  HB-          93 GLU  HN          3.50    (#    969:15  Unique         2.19, 2.87 A)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1458,1459,
 &end
#
#   93 GLU  HB+          93 GLU  HN          2.80    (#    970:15  Unique         2.19, 2.87 A)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1458,1459,
 &end
#
#   93 GLU  HG-          93 GLU  HN          2.80    (#    971:15  Unique         2.74, 3.31 A)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1461,1462,
 &end
#
#   93 GLU  HG+          93 GLU  HN          3.50    (#    972:15  Unique         2.74, 3.31 A)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1461,1462,
 &end
#
#   92 VAL  HA           93 GLU  HN          5.50    (#    973:15  Unique         3.51, 3.52 A)
 &rst
  ixpk= 973, nxpk= 15, iat=1440,1454, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:974     93 GLU  HN          2.80    (#    974:15  Single Ambig)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1456,1405,
 &end
#
#    0 AMB  15-2:975     93 GLU  HN          4.50    (#    975:15  Single Ambig)
 &rst
  ixpk= 975, nxpk= 15, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1381,1421,
 &end
#
#   91 LEU  HN           93 GLU  HN          5.50    (#    976:15  Unique         4.11, 4.21 A)
 &rst
  ixpk= 976, nxpk= 15, iat=1419,1454, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   94 HIS  HN           93 GLU  HN          3.50    (#    977:15  Unique         2.65, 2.67 A)
 &rst
  ixpk= 977, nxpk= 15, iat=1469,1454, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 VAL  HN           93 GLU  HN          3.50    (#    978:15  Unique         2.60, 2.62 A)
 &rst
  ixpk= 978, nxpk= 15, iat=1438,1454, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 LEU  HN           93 GLU  HN          7.00    (#    979:15  Unique         4.67, 4.68 A)
 &rst
  ixpk= 979, nxpk= 15, iat=1496,1454, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    5 ILE  MD1          94 HIS  HN          5.50    (#    980:15  Unique         5.09, 6.11 A)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  80,  81,  82,
 &end
#
#    0 AMB  15-2:982     94 HIS  HN          5.50    (#    982:15  Single Ambig)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1490,1491,1492,1423,1424,
 &end
#
#   93 GLU  HB-          94 HIS  HN          4.50    (#    983:15  Unique         2.74, 3.09 A)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1458,1459,
 &end
#
#   93 GLU  HB+          94 HIS  HN          4.50    (#    984:15  Unique         2.74, 3.09 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1458,1459,
 &end
#
#   93 GLU  HG+          94 HIS  HN          5.50    (#    985:15  Unique         4.69, 4.88 A)
 &rst
  ixpk= 985, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1461,1462,
 &end
#
#   94 HIS  HB-          94 HIS  HN          3.50    (#    986:15  Unique         2.07, 2.63 A)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1473,1474,
 &end
#
#   94 HIS  HB+          94 HIS  HN          3.50    (#    987:15  Unique         2.07, 2.63 A)
 &rst
  ixpk= 987, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1473,1474,
 &end
#
#    0 AMB  15-2:988     94 HIS  HN          7.00    (#    988:15  Single Ambig)
 &rst
  ixpk= 988, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1440,1488,
 &end
#
#    0 AMB  15-2:989     94 HIS  HN          4.50    (#    989:15  Single Ambig)
 &rst
  ixpk= 989, nxpk= 15, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1456,1405,
 &end
#
#   91 LEU  HA           94 HIS  HN          4.50    (#    990:15  Unique         3.50, 3.52 A)
 &rst
  ixpk= 990, nxpk= 15, iat=1421,1469, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 HIS  HA           94 HIS  HN          3.50    (#    991:15  Unique         2.80, 2.80 A)
 &rst
  ixpk= 991, nxpk= 15, iat=1471,1469, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ALA  HN           94 HIS  HN          3.50    (#    992:15  Unique         2.70, 2.73 A)
 &rst
  ixpk= 992, nxpk= 15, iat=1486,1469, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLU  HN           94 HIS  HN          3.50    (#    993:15  Unique         2.65, 2.67 A)
 &rst
  ixpk= 993, nxpk= 15, iat=1454,1469, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 SER  HN           94 HIS  HN          7.00    (#    994:15  Unique         4.73, 4.76 A)
 &rst
  ixpk= 994, nxpk= 15, iat=1515,1469, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:995     95 ALA  HN          7.00    (#    995:15  Single Ambig)
 &rst
  ixpk= 995, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#    0 AMB  15-2:996     95 ALA  HN          5.50    (#    996:15  Single Ambig)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1094,1095,1096,1098,1099,1100,1428,1429,1430,1432,
      1433,1434,
 &end
#
#    0 AMB  15-2:997     95 ALA  HN          4.50    (#    997:15  Single Ambig)
 &rst
  ixpk= 997, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1094,1095,1096,1098,1099,1100,1204,1205,1206,1208,
      1209,1210,1444,1445,1446,1448,1449,1450,1591,1592,
      1593,1595,1596,1597,
 &end
#
#    0 AMB  15-2:998     95 ALA  HN          5.50    (#    998:15  Single Ambig)
 &rst
  ixpk= 998, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1444,1445,1446,1448,1449,1450,1202,1547,1548,1549,
      
 &end
#
#   96 LEU  HG           95 ALA  HN          5.50    (#    999:15  Unique         5.13, 5.17 A)
 &rst
  ixpk= 999, nxpk= 15, iat=1503,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ALA  MB           95 ALA  HN          2.80    (#   1000:15  Unique         2.20, 2.90 A)
 &rst
  ixpk= 1000, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1490,1491,1492,
 &end
#
#   66 MET  ME           95 ALA  HN          3.50    (#   1001:15  Unique         3.02, 3.67 A)
 &rst
  ixpk= 1001, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1060,1061,1062,
 &end
#
#   94 HIS  HB-          95 ALA  HN          4.50    (#   1002:15  Unique         2.64, 2.99 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1473,1474,
 &end
#
#   94 HIS  HB+          95 ALA  HN          3.50    (#   1003:15  Unique         2.64, 2.99 A)
 &rst
  ixpk= 1003, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1473,1474,
 &end
#
#    0 AMB  15-2:1004    95 ALA  HN          2.80    (#   1004:15  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1488,1440,
 &end
#
#   93 GLU  HA           95 ALA  HN          5.50    (#   1005:15  Unique         4.42, 4.47 A)
 &rst
  ixpk= 1005, nxpk= 15, iat=1456,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1006    95 ALA  HN          4.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1498,
 &end
#
#   94 HIS  HA           95 ALA  HN          4.50    (#   1007:15  Unique         3.54, 3.55 A)
 &rst
  ixpk= 1007, nxpk= 15, iat=1471,1486, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1008    95 ALA  HN          5.50    (#   1008:15  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 15, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1482,1051,
 &end
#
#   97 SER  HN           95 ALA  HN          7.00    (#   1009:15  Unique         3.78, 3.80 A)
 &rst
  ixpk= 1009, nxpk= 15, iat=1515,1486, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   94 HIS  HN           95 ALA  HN          3.50    (#   1010:15  Unique         2.70, 2.73 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=1469,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 LEU  HN           95 ALA  HN          3.50    (#   1011:15  Unique         2.57, 2.59 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=1496,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLU  HN           95 ALA  HN          7.00    (#   1012:15  Unique         4.23, 4.29 A)
 &rst
  ixpk= 1012, nxpk= 15, iat=1454,1486, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:1013    96 LEU  HN          3.50    (#   1013:15  Single Ambig)
 &rst
  ixpk= 1013, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#    0 AMB  15-2:1014    96 LEU  HN          4.50    (#   1014:15  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1444,1445,1446,1448,1449,1450,1094,1095,1096,1098,
      1099,1100,
 &end
#
#   96 LEU  HB-          96 LEU  HN          3.50    (#   1015:15  Unique         2.17, 2.84 A)
 &rst
  ixpk= 1015, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1500,1501,
 &end
#
#   92 VAL  MGX          96 LEU  HN          5.50    (#   1016:15  Unique         3.70, 5.48 A)
 &rst
  ixpk= 1016, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1444,1445,1446,1448,1449,1450,
 &end
#
#   96 LEU  HB+          96 LEU  HN          2.80    (#   1017:15  Unique         2.17, 2.84 A)
 &rst
  ixpk= 1017, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1500,1501,
 &end
#
#    0 AMB  15-2:1019    96 LEU  HN          4.50    (#   1019:15  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1488,1440,
 &end
#
#   93 GLU  HA           96 LEU  HN          4.50    (#   1020:15  Unique         3.54, 3.56 A)
 &rst
  ixpk= 1020, nxpk= 15, iat=1456,1496, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 LEU  HA           96 LEU  HN          3.50    (#   1021:15  Unique         2.78, 2.79 A)
 &rst
  ixpk= 1021, nxpk= 15, iat=1498,1496, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 HIS  HA           96 LEU  HN          7.00    (#   1022:15  Unique         4.79, 4.83 A)
 &rst
  ixpk= 1022, nxpk= 15, iat=1471,1496, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   98 MET  HN           96 LEU  HN          7.00    (#   1024:15  Unique         4.42, 4.48 A)
 &rst
  ixpk= 1024, nxpk= 15, iat=1526,1496, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   97 SER  HN           96 LEU  HN          3.50    (#   1025:15  Unique         2.64, 2.67 A)
 &rst
  ixpk= 1025, nxpk= 15, iat=1515,1496, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 HIS  HN           96 LEU  HN          7.00    (#   1026:15  Unique         4.17, 4.21 A)
 &rst
  ixpk= 1026, nxpk= 15, iat=1469,1496, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   95 ALA  HN           96 LEU  HN          3.50    (#   1027:15  Unique         2.57, 2.59 A)
 &rst
  ixpk= 1027, nxpk= 15, iat=1486,1496, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLU  HN           96 LEU  HN          5.50    (#   1028:15  Unique         4.67, 4.68 A)
 &rst
  ixpk= 1028, nxpk= 15, iat=1454,1496, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 LEU  HG           96 LEU  HN          2.80    (#   1029:15  Unique         2.87, 2.89 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=1503,1496, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 LEU  MDX          96 LEU  HN          5.50    (#   1030:15  Unique         4.38, 5.91 A)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   95 ALA  MB           96 LEU  HN          2.80    (#   1031:15  Unique         2.50, 3.31 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1490,1491,1492,
 &end
#
#  102 LEU  MDY          96 LEU  HN          4.50    (#   1032:15  Unique         3.75, 5.25 A)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1,1496, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#    0 AMB  15-2:1033    97 SER  HN          5.50    (#   1033:15  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 15, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#   96 LEU  HB-          97 SER  HN          4.50    (#   1034:15  Unique         3.15, 3.44 A)
 &rst
  ixpk= 1034, nxpk= 15, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1500,1501,
 &end
#
#   96 LEU  HG           97 SER  HN          5.50    (#   1035:15  Unique         4.93, 4.95 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=1503,1515, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 LEU  HB+          97 SER  HN          3.50    (#   1036:15  Unique         3.15, 3.44 A)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1500,1501,
 &end
#
#    0 AMB  15-2:1037    97 SER  HN          7.00    (#   1037:15  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1530,1531,1458,1459,1586,1587,1560,1561,
 &end
#
#    0 AMB  15-2:1038    97 SER  HN          7.00    (#   1038:15  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 15, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1533,1534,1458,1459,
 &end
#
#   95 ALA  HA           97 SER  HN          5.50    (#   1039:15  Unique         3.77, 3.82 A)
 &rst
  ixpk= 1039, nxpk= 15, iat=1488,1515, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1040    97 SER  HN          2.80    (#   1040:15  Single Ambig)
 &rst
  ixpk= 1040, nxpk= 15, iat=  -1,1515, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1519,1520,1519,1520,
 &end
#
#   97 SER  HA           97 SER  HN          2.80    (#   1041:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1041, nxpk= 15, iat=1517,1515, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 LEU  HA           97 SER  HN          4.50    (#   1042:15  Unique         3.41, 3.43 A)
 &rst
  ixpk= 1042, nxpk= 15, iat=1498,1515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 HIS  HA           97 SER  HN          4.50    (#   1043:15  Unique         3.77, 3.82 A)
 &rst
  ixpk= 1043, nxpk= 15, iat=1471,1515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 MET  HN           97 SER  HN          3.50    (#   1046:15  Unique         2.52, 2.57 A)
 &rst
  ixpk= 1046, nxpk= 15, iat=1526,1515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 ALA  HN           97 SER  HN          4.50    (#   1048:15  Unique         3.60, 3.62 A)
 &rst
  ixpk= 1048, nxpk= 15, iat=1543,1515, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 ALA  HN           97 SER  HN          7.00    (#   1049:15  Unique         3.78, 3.80 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=1486,1515, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   96 LEU  HN           97 SER  HN          3.50    (#   1050:15  Unique         2.64, 2.67 A)
 &rst
  ixpk= 1050, nxpk= 15, iat=1496,1515, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 LEU  MDY          98 MET  HN          5.50    (#   1051:15  Unique         4.06, 5.86 A)
 &rst
  ixpk= 1051, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#    0 AMB  15-2:1052    98 MET  HN          3.50    (#   1052:15  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1537,1538,1539,1547,1548,1549,
 &end
#
#    0 AMB  15-2:1053    98 MET  HN          5.50    (#   1053:15  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1500,1501,1586,1587,
 &end
#
#    0 AMB  15-2:1054    98 MET  HN          5.50    (#   1054:15  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1490,1491,1492,1092,
 &end
#
#   98 MET  HB-          98 MET  HN          2.80    (#   1055:15  Unique         2.65, 3.15 A)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1530,1531,
 &end
#
#   98 MET  HB+          98 MET  HN          3.50    (#   1056:15  Unique         2.65, 3.15 A)
 &rst
  ixpk= 1056, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1530,1531,
 &end
#
#   98 MET  HG-          98 MET  HN          3.50    (#   1057:15  Unique         1.98, 2.67 A)
 &rst
  ixpk= 1057, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1533,1534,
 &end
#
#   98 MET  HG+          98 MET  HN          3.50    (#   1058:15  Unique         1.98, 2.67 A)
 &rst
  ixpk= 1058, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1533,1534,
 &end
#
#   95 ALA  HA           98 MET  HN          5.50    (#   1059:15  Unique         3.42, 3.45 A)
 &rst
  ixpk= 1059, nxpk= 15, iat=1488,1526, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1060    98 MET  HN          3.50    (#   1060:15  Single Ambig)
 &rst
  ixpk= 1060, nxpk= 15, iat=  -1,1526, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1519,1520,1519,1520,
 &end
#
#   96 LEU  HA           98 MET  HN          4.50    (#   1061:15  Unique         4.28, 4.40 A)
 &rst
  ixpk= 1061, nxpk= 15, iat=1498,1526, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 SER  HA           98 MET  HN          3.50    (#   1062:15  Unique         3.53, 3.54 A)
 &rst
  ixpk= 1062, nxpk= 15, iat=1517,1526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 MET  HA           98 MET  HN          3.50    (#   1063:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 1063, nxpk= 15, iat=1528,1526, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 SER  HN           98 MET  HN          2.80    (#   1065:15  Unique         2.52, 2.57 A)
 &rst
  ixpk= 1065, nxpk= 15, iat=1515,1526, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 ALA  HN           98 MET  HN          2.80    (#   1066:15  Unique         2.30, 2.36 A)
 &rst
  ixpk= 1066, nxpk= 15, iat=1543,1526, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1069    99 ALA  HN          5.50    (#   1069:15  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#   68 LEU  MDX          99 ALA  HN          5.50    (#   1070:15  Unique         3.85, 5.42 A)
 &rst
  ixpk= 1070, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#  102 LEU  MDX          99 ALA  HN          4.50    (#   1071:15  Unique         3.91, 6.16 A)
 &rst
  ixpk= 1071, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#   68 LEU  MDY          99 ALA  HN          4.50    (#   1072:15  Unique         3.85, 5.42 A)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   99 ALA  MB           99 ALA  HN          2.80    (#   1073:15  Unique         2.77, 3.40 A)
 &rst
  ixpk= 1073, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1547,1548,1549,
 &end
#
#    0 AMB  15-2:1074    99 ALA  HN          4.50    (#   1074:15  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1490,1491,1492,1092,1589,
 &end
#
#    0 AMB  15-2:1075    99 ALA  HN          3.50    (#   1075:15  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1530,1531,1586,1587,
 &end
#
#   98 MET  HB-          99 ALA  HN          3.50    (#   1076:15  Unique         3.15, 3.73 A)
 &rst
  ixpk= 1076, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1530,1531,
 &end
#
#   98 MET  HG-          99 ALA  HN          4.50    (#   1077:15  Unique         4.12, 4.60 A)
 &rst
  ixpk= 1077, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1533,1534,
 &end
#
#   98 MET  HG+          99 ALA  HN          4.50    (#   1078:15  Unique         4.12, 4.60 A)
 &rst
  ixpk= 1078, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1533,1534,
 &end
#
#  100 PRO  HD-          99 ALA  HN          4.50    (#   1079:15  Unique         3.54, 3.95 A)
 &rst
  ixpk= 1079, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1554,1555,
 &end
#
#   95 ALA  HA           99 ALA  HN          5.50    (#   1080:15  Unique         4.39, 4.46 A)
 &rst
  ixpk= 1080, nxpk= 15, iat=1488,1543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 PRO  HD+          99 ALA  HN          4.50    (#   1081:15  Unique         3.54, 3.95 A)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1554,1555,
 &end
#
#    0 AMB  15-2:1082    99 ALA  HN          5.50    (#   1082:15  Single Ambig)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1519,1520,1519,1520,
 &end
#
#   97 SER  HA           99 ALA  HN          4.50    (#   1083:15  Unique         4.03, 4.07 A)
 &rst
  ixpk= 1083, nxpk= 15, iat=1517,1543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1084    99 ALA  HN          3.50    (#   1084:15  Single Ambig)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1528,1563,
 &end
#
#   99 ALA  HA           99 ALA  HN          3.50    (#   1085:15  Unique         2.90, 2.90 A)
 &rst
  ixpk= 1085, nxpk= 15, iat=1545,1543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 MET  HN           99 ALA  HN          2.80    (#   1086:15  Unique         2.30, 2.36 A)
 &rst
  ixpk= 1086, nxpk= 15, iat=1526,1543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 SER  HN           99 ALA  HN          4.50    (#   1087:15  Unique         3.60, 3.62 A)
 &rst
  ixpk= 1087, nxpk= 15, iat=1515,1543, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 LEU  HN           99 ALA  HN          5.50    (#   1089:15  Unique         4.74, 4.76 A)
 &rst
  ixpk= 1089, nxpk= 15, iat=1496,1543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 LEU  HA           99 ALA  HN          3.50    (#   1091:15  Unique         3.19, 3.26 A)
 &rst
  ixpk= 1091, nxpk= 15, iat=1498,1543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 ALA  MB          101 GLU  HN          3.50    (#   1092:15  Unique         3.66, 4.55 A)
 &rst
  ixpk= 1092, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1547,1548,1549,
 &end
#
#  101 GLU  HB-         101 GLU  HN          2.80    (#   1093:15  Unique         2.69, 3.25 A)
 &rst
  ixpk= 1093, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1571,1572,
 &end
#
#    0 AMB  15-2:1094   101 GLU  HN          2.80    (#   1094:15  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1557,1558,1557,1558,
 &end
#
#    0 AMB  15-2:1095   101 GLU  HN          2.80    (#   1095:15  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1574,1575,1571,1572,1129,1130,
 &end
#
#  100 PRO  HB+         101 GLU  HN          4.50    (#   1096:15  Unique         3.33, 3.75 A)
 &rst
  ixpk= 1096, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1560,1561,
 &end
#
#   71 GLN  HB+         101 GLU  HN          4.50    (#   1097:15  Unique         4.51, 5.47 A)
 &rst
  ixpk= 1097, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1126,1127,
 &end
#
#  100 PRO  HD-         101 GLU  HN          3.50    (#   1098:15  Unique         2.65, 3.24 A)
 &rst
  ixpk= 1098, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#  100 PRO  HD+         101 GLU  HN          3.50    (#   1099:15  Unique         2.65, 3.24 A)
 &rst
  ixpk= 1099, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#  100 PRO  HA          101 GLU  HN          3.50    (#   1100:15  Unique         3.52, 3.52 A)
 &rst
  ixpk= 1100, nxpk= 15, iat=1563,1567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 LEU  HA          101 GLU  HN          4.50    (#   1101:15  Unique         4.51, 4.52 A)
 &rst
  ixpk= 1101, nxpk= 15, iat=1584,1567, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 GLU  HA          101 GLU  HN          2.80    (#   1102:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1102, nxpk= 15, iat=1569,1567, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 LEU  HN          101 GLU  HN          2.80    (#   1103:15  Unique         2.74, 2.77 A)
 &rst
  ixpk= 1103, nxpk= 15, iat=1582,1567, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 LEU  HB-         101 GLU  HN          5.50    (#   1105:15  Unique         4.24, 5.00 A)
 &rst
  ixpk= 1105, nxpk= 15, iat=  -1,1567, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1586,1587,
 &end
#
#    0 AMB  15-2:1106   102 LEU  HN          3.50    (#   1106:15  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#  102 LEU  MDY         102 LEU  HN          3.50    (#   1107:15  Unique         3.04, 4.48 A)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#  102 LEU  MDX         102 LEU  HN          3.50    (#   1108:15  Unique         3.04, 4.48 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#   99 ALA  MB          102 LEU  HN          3.50    (#   1109:15  Unique         3.07, 4.05 A)
 &rst
  ixpk= 1109, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1547,1548,1549,
 &end
#
#    0 AMB  15-2:1110   102 LEU  HN          5.50    (#   1110:15  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1607,1608,1609,2233,2234,2235,
 &end
#
#  102 LEU  HG          102 LEU  HN          4.50    (#   1111:15  Unique         2.83, 2.91 A)
 &rst
  ixpk= 1111, nxpk= 15, iat=1589,1582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 LEU  HB-         102 LEU  HN          2.80    (#   1112:15  Unique         2.24, 2.90 A)
 &rst
  ixpk= 1112, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1586,1587,
 &end
#
#  144 TYR  HB-         102 LEU  HN          4.50    (#   1113:15  Unique         3.46, 3.65 A)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2243,2244,
 &end
#
#  102 LEU  HB+         102 LEU  HN          2.80    (#   1114:15  Unique         2.24, 2.90 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1586,1587,
 &end
#
#    0 AMB  15-2:1115   102 LEU  HN          3.50    (#   1115:15  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1129,1130,1571,1572,1574,1575,
 &end
#
#  144 TYR  HB+         102 LEU  HN          4.50    (#   1116:15  Unique         3.46, 3.65 A)
 &rst
  ixpk= 1116, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2243,2244,
 &end
#
#  100 PRO  HA          102 LEU  HN          5.50    (#   1117:15  Unique         3.88, 3.90 A)
 &rst
  ixpk= 1117, nxpk= 15, iat=1563,1582, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  101 GLU  HA          102 LEU  HN          2.80    (#   1118:15  Unique         2.86, 2.89 A)
 &rst
  ixpk= 1118, nxpk= 15, iat=1569,1582, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 LEU  HA          102 LEU  HN          2.80    (#   1119:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1119, nxpk= 15, iat=1584,1582, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  144 TYR  HD          102 LEU  HN          5.50    (#   1120:15  Unique         4.94, 5.48 A)
 &rst
  ixpk= 1120, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2247,2256,
 &end
#
#  122 PHE  HE          102 LEU  HN          5.50    (#   1121:15  Unique         5.29, 6.87 A)
 &rst
  ixpk= 1121, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1902,1906,
 &end
#
#  101 GLU  HN          102 LEU  HN          3.50    (#   1123:15  Unique         2.74, 2.77 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=1567,1582, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1124   102 LEU  HN          4.50    (#   1124:15  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 15, iat=  -1,1582, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1601,1122,
 &end
#
#  102 LEU  MDY         103 THR  HN          4.50    (#   1125:15  Unique         1.98, 4.08 A)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#  102 LEU  MDX         103 THR  HN          2.80    (#   1126:15  Unique         1.98, 4.08 A)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1591,1592,1593,1595,1596,1597,
 &end
#
#   99 ALA  MB          103 THR  HN          4.50    (#   1127:15  Unique         5.00, 5.65 A)
 &rst
  ixpk= 1127, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1547,1548,1549,
 &end
#
#  103 THR  MG2         103 THR  HN          3.50    (#   1128:15  Unique         3.53, 4.18 A)
 &rst
  ixpk= 1128, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1607,1608,1609,
 &end
#
#  102 LEU  HG          103 THR  HN          3.50    (#   1129:15  Unique         3.36, 3.52 A)
 &rst
  ixpk= 1129, nxpk= 15, iat=1589,1601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 LEU  HB-         103 THR  HN          4.50    (#   1130:15  Unique         2.38, 3.12 A)
 &rst
  ixpk= 1130, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1586,1587,
 &end
#
#   71 GLN  HB-         103 THR  HN          4.50    (#   1131:15  Unique         3.98, 5.13 A)
 &rst
  ixpk= 1131, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1126,1127,
 &end
#
#  102 LEU  HB+         103 THR  HN          3.50    (#   1132:15  Unique         2.38, 3.12 A)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1586,1587,
 &end
#
#    0 AMB  15-2:1133   103 THR  HN          7.00    (#   1133:15  Single Ambig)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1160,1161,1129,1130,
 &end
#
#   71 GLN  HB+         103 THR  HN          4.50    (#   1134:15  Unique         3.98, 5.13 A)
 &rst
  ixpk= 1134, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1126,1127,
 &end
#
#   72 HIS  HB-         103 THR  HN          5.50    (#   1135:15  Unique         4.44, 5.06 A)
 &rst
  ixpk= 1135, nxpk= 15, iat=  -1,1601, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1143,1144,
 &end
#
#  102 LEU  HA          103 THR  HN          2.80    (#   1136:15  Unique         2.49, 2.52 A)
 &rst
  ixpk= 1136, nxpk= 15, iat=1584,1601, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 HIS  HA          103 THR  HN          2.80    (#   1137:15  Unique         2.41, 2.61 A)
 &rst
  ixpk= 1137, nxpk= 15, iat=1141,1601, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 THR  HA          103 THR  HN          3.50    (#   1138:15  Unique         2.93, 2.93 A)
 &rst
  ixpk= 1138, nxpk= 15, iat=1603,1601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 LEU  HN          103 THR  HN          4.50    (#   1139:15  Unique         4.57, 4.59 A)
 &rst
  ixpk= 1139, nxpk= 15, iat=1582,1601, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 MET  HN          103 THR  HN          3.50    (#   1140:15  Unique         2.82, 2.98 A)
 &rst
  ixpk= 1140, nxpk= 15, iat=1156,1601, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 THR  MG2         104 THR  HN          2.80    (#   1141:15  Unique         2.00, 3.11 A)
 &rst
  ixpk= 1141, nxpk= 15, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1621,1622,1623,
 &end
#
#  142 LEU  MDY         104 THR  HN          5.50    (#   1142:15  Unique         5.14, 6.08 A)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  HB-         104 THR  HN          5.50    (#   1143:15  Unique         3.60, 4.39 A)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2214,2215,
 &end
#
#    0 AMB  15-2:1144   104 THR  HN          3.50    (#   1144:15  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1607,1608,1609,2233,2234,2235,
 &end
#
#  142 LEU  HB+         104 THR  HN          3.50    (#   1145:15  Unique         3.60, 4.39 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2214,2215,
 &end
#
#  104 THR  HA          104 THR  HN          3.50    (#   1146:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1146, nxpk= 15, iat=1617,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 THR  HB          104 THR  HN          3.50    (#   1147:15  Unique         3.10, 3.17 A)
 &rst
  ixpk= 1147, nxpk= 15, iat=1619,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 THR  HB          104 THR  HN          2.80    (#   1148:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1148, nxpk= 15, iat=1605,1615, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  143 ALA  HA          104 THR  HN          3.50    (#   1149:15  Unique         3.48, 3.50 A)
 &rst
  ixpk= 1149, nxpk= 15, iat=2231,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 THR  HA          104 THR  HN          2.80    (#   1150:15  Unique         2.23, 2.24 A)
 &rst
  ixpk= 1150, nxpk= 15, iat=1603,1615, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  142 LEU  HA          104 THR  HN          5.50    (#   1151:15  Unique         4.69, 4.76 A)
 &rst
  ixpk= 1151, nxpk= 15, iat=2212,1615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 PHE  HE          104 THR  HN          4.50    (#   1152:15  Unique         2.91, 4.98 A)
 &rst
  ixpk= 1152, nxpk= 15, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1902,1906,
 &end
#
#  122 PHE  HD          104 THR  HN          5.50    (#   1153:15  Unique         3.49, 5.33 A)
 &rst
  ixpk= 1153, nxpk= 15, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1900,1908,
 &end
#
#  105 ASN  HN          104 THR  HN          4.50    (#   1155:15  Unique         4.37, 4.43 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=1629,1615, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  103 THR  HN          104 THR  HN          5.50    (#   1156:15  Unique         4.37, 4.37 A)
 &rst
  ixpk= 1156, nxpk= 15, iat=1601,1615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  142 LEU  HN          104 THR  HN          3.50    (#   1157:15  Unique         2.88, 2.98 A)
 &rst
  ixpk= 1157, nxpk= 15, iat=2210,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 THR  MG2         105 ASN  HN          3.50    (#   1158:15  Unique         2.69, 3.91 A)
 &rst
  ixpk= 1158, nxpk= 15, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1621,1622,1623,
 &end
#
#   73 MET  ME          105 ASN  HN          4.50    (#   1160:15  Unique         4.83, 5.81 A)
 &rst
  ixpk= 1160, nxpk= 15, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1167,1168,1169,
 &end
#
#  105 ASN  HB-         105 ASN  HN          3.50    (#   1161:15  Unique         2.61, 3.31 A)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1633,1634,
 &end
#
#   73 MET  HB+         105 ASN  HN          5.50    (#   1162:15  Unique         3.40, 4.60 A)
 &rst
  ixpk= 1162, nxpk= 15, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1160,1161,
 &end
#
#  105 ASN  HB+         105 ASN  HN          3.50    (#   1163:15  Unique         2.61, 3.31 A)
 &rst
  ixpk= 1163, nxpk= 15, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1633,1634,
 &end
#
#  104 THR  HA          105 ASN  HN          2.80    (#   1164:15  Unique         2.44, 2.54 A)
 &rst
  ixpk= 1164, nxpk= 15, iat=1617,1629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 THR  HB          105 ASN  HN          3.50    (#   1165:15  Unique         3.57, 3.64 A)
 &rst
  ixpk= 1165, nxpk= 15, iat=1619,1629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ASN  HA          105 ASN  HN          3.50    (#   1169:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1169, nxpk= 15, iat=1631,1629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ASN  HD2-        105 ASN  HN          5.50    (#   1170:15  Unique         3.04, 4.87 A)
 &rst
  ixpk= 1170, nxpk= 15, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1638,1639,
 &end
#
#  106 VAL  HN          105 ASN  HN          4.50    (#   1172:15  Unique         4.33, 4.45 A)
 &rst
  ixpk= 1172, nxpk= 15, iat=1643,1629, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  142 LEU  MDY         106 VAL  HN          4.50    (#   1174:15  Unique         3.33, 5.15 A)
 &rst
  ixpk= 1174, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  140 LEU  MDX         106 VAL  HN          4.50    (#   1175:15  Unique         5.38, 6.27 A)
 &rst
  ixpk= 1175, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2186,2187,2188,2190,2191,2192,
 &end
#
#  106 VAL  MGX         106 VAL  HN          2.80    (#   1176:15  Unique         2.21, 4.14 A)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  106 VAL  MGY         106 VAL  HN          3.50    (#   1177:15  Unique         2.21, 4.14 A)
 &rst
  ixpk= 1177, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  15-2:1178   106 VAL  HN          5.50    (#   1178:15  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2162,2163,2214,2215,
 &end
#
#    0 AMB  15-2:1180   106 VAL  HN          4.50    (#   1180:15  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2217,2184,
 &end
#
#  140 LEU  HB+         106 VAL  HN          4.50    (#   1181:15  Unique         3.16, 4.13 A)
 &rst
  ixpk= 1181, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2181,2182,
 &end
#
#  106 VAL  HB          106 VAL  HN          3.50    (#   1182:15  Unique         2.93, 3.31 A)
 &rst
  ixpk= 1182, nxpk= 15, iat=1647,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ASN  HB-         106 VAL  HN          3.50    (#   1183:15  Unique         2.38, 3.24 A)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1633,1634,
 &end
#
#  105 ASN  HB+         106 VAL  HN          3.50    (#   1184:15  Unique         2.38, 3.24 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  -1,1643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1633,1634,
 &end
#
#  106 VAL  HA          106 VAL  HN          3.50    (#   1185:15  Unique         2.85, 2.88 A)
 &rst
  ixpk= 1185, nxpk= 15, iat=1645,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  139 LEU  HA          106 VAL  HN          5.50    (#   1186:15  Unique         4.62, 4.82 A)
 &rst
  ixpk= 1186, nxpk= 15, iat=2160,1643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  141 ASN  HA          106 VAL  HN          4.50    (#   1187:15  Unique         3.44, 3.79 A)
 &rst
  ixpk= 1187, nxpk= 15, iat=2198,1643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  105 ASN  HA          106 VAL  HN          2.80    (#   1188:15  Unique         2.15, 2.33 A)
 &rst
  ixpk= 1188, nxpk= 15, iat=1631,1643, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASN  HN          106 VAL  HN          4.50    (#   1189:15  Unique         4.33, 4.45 A)
 &rst
  ixpk= 1189, nxpk= 15, iat=1629,1643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  140 LEU  HN          106 VAL  HN          3.50    (#   1190:15  Unique         2.56, 2.71 A)
 &rst
  ixpk= 1190, nxpk= 15, iat=2177,1643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASN  HN          106 VAL  HN          4.50    (#   1191:15  Unique         4.00, 4.21 A)
 &rst
  ixpk= 1191, nxpk= 15, iat=1659,1643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1193   107 ASN  HN          3.50    (#   1193:15  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 15, iat=  -1,1659, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1649,1650,1651,1653,1654,1655,2167,2168,2169,2171,
      2172,2173,2167,2168,2169,2171,2172,2173,
 &end
#
#  106 VAL  MGY         107 ASN  HN          2.80    (#   1194:15  Unique         2.00, 3.94 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1,1659, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#    0 AMB  15-2:1195   144 TYR  HN          2.80    (#   1195:15  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2233,2234,2235,1607,1608,1609,
 &end
#
#  144 TYR  HB-         144 TYR  HN          2.80    (#   1196:15  Unique         2.30, 2.54 A)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2243,2244,
 &end
#
#  107 ASN  HB-         107 ASN  HN          2.80    (#   1197:15  Unique         2.09, 2.70 A)
 &rst
  ixpk= 1197, nxpk= 15, iat=  -1,1659, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1663,1664,
 &end
#
#  144 TYR  HB+         144 TYR  HN          2.80    (#   1198:15  Unique         2.30, 2.54 A)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2243,2244,
 &end
#
#  107 ASN  HB+         107 ASN  HN          3.50    (#   1199:15  Unique         2.09, 2.70 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1,1659, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1663,1664,
 &end
#
#  144 TYR  HA          144 TYR  HN          3.50    (#   1200:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 1200, nxpk= 15, iat=2241,2239, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1201   107 ASN  HN          5.50    (#   1201:15  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 15, iat=  -1,1659, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1709,1710,1675,
 &end
#
#  106 VAL  HA          107 ASN  HN          2.80    (#   1202:15  Unique         2.14, 2.19 A)
 &rst
  ixpk= 1202, nxpk= 15, iat=1645,1659, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  107 ASN  HA          107 ASN  HN          3.50    (#   1203:15  Unique         2.81, 2.85 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=1661,1659, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  143 ALA  HA          144 TYR  HN          2.80    (#   1204:15  Unique         2.23, 2.25 A)
 &rst
  ixpk= 1204, nxpk= 15, iat=2231,2239, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 THR  HA          144 TYR  HN          3.50    (#   1205:15  Unique         3.34, 3.44 A)
 &rst
  ixpk= 1205, nxpk= 15, iat=1603,2239, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  144 TYR  HD          144 TYR  HN          4.50    (#   1206:15  Unique         4.27, 4.68 A)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2247,2256,
 &end
#
#  122 PHE  HE          144 TYR  HN          3.50    (#   1207:15  Unique         3.31, 5.18 A)
 &rst
  ixpk= 1207, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1902,1906,
 &end
#
#    0 AMB  15-2:1208   107 ASN  HN          4.50    (#   1208:15  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 15, iat=  -1,1659, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1643,1668,1669,
 &end
#
#    0 AMB  15-2:1209   108 GLU  HN          3.50    (#   1209:15  Single Ambig)
 &rst
  ixpk= 1209, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 &end
#
#    0 AMB  15-2:1210   108 GLU  HN          3.50    (#   1210:15  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,1649,1650,1651,1653,1654,1655,
 &end
#
#  140 LEU  HG          108 GLU  HN          4.50    (#   1211:15  Unique         2.85, 3.01 A)
 &rst
  ixpk= 1211, nxpk= 15, iat=2184,1673, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1212   108 GLU  HN          4.50    (#   1212:15  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2181,2182,2151,2152,
 &end
#
#  108 GLU  HB+         108 GLU  HN          2.80    (#   1213:15  Unique         2.07, 2.62 A)
 &rst
  ixpk= 1213, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1677,1678,
 &end
#
#  108 GLU  HG-         108 GLU  HN          4.50    (#   1214:15  Unique         3.83, 4.03 A)
 &rst
  ixpk= 1214, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1680,1681,
 &end
#
#  108 GLU  HG+         108 GLU  HN          4.50    (#   1215:15  Unique         3.83, 4.03 A)
 &rst
  ixpk= 1215, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1680,1681,
 &end
#
#  107 ASN  HB-         108 GLU  HN          4.50    (#   1216:15  Unique         2.87, 3.91 A)
 &rst
  ixpk= 1216, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1663,1664,
 &end
#
#  107 ASN  HB+         108 GLU  HN          5.50    (#   1217:15  Unique         2.87, 3.91 A)
 &rst
  ixpk= 1217, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1663,1664,
 &end
#
#  108 GLU  HA          108 GLU  HN          3.50    (#   1218:15  Unique         2.76, 2.81 A)
 &rst
  ixpk= 1218, nxpk= 15, iat=1675,1673, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASN  HA          108 GLU  HN          2.80    (#   1220:15  Unique         2.15, 2.19 A)
 &rst
  ixpk= 1220, nxpk= 15, iat=1661,1673, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  139 LEU  HA          108 GLU  HN          3.50    (#   1221:15  Unique         3.04, 3.20 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=2160,1673, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 GLN  HN          108 GLU  HN          4.50    (#   1222:15  Unique         2.44, 2.63 A)
 &rst
  ixpk= 1222, nxpk= 15, iat=1688,1673, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  140 LEU  HN          108 GLU  HN          4.50    (#   1223:15  Unique         4.14, 4.31 A)
 &rst
  ixpk= 1223, nxpk= 15, iat=2177,1673, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 GLU  HB-         108 GLU  HN          2.80    (#   1224:15  Unique         2.07, 2.62 A)
 &rst
  ixpk= 1224, nxpk= 15, iat=  -1,1673, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1677,1678,
 &end
#
#  109 GLN  HB-         109 GLN  HN          2.80    (#   1225:15  Unique         2.26, 3.01 A)
 &rst
  ixpk= 1225, nxpk= 15, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1692,1693,
 &end
#
#  108 GLU  HB-         109 GLN  HN          4.50    (#   1226:15  Unique         3.09, 3.45 A)
 &rst
  ixpk= 1226, nxpk= 15, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1677,1678,
 &end
#
#  109 GLN  HB+         109 GLN  HN          3.50    (#   1227:15  Unique         2.26, 3.01 A)
 &rst
  ixpk= 1227, nxpk= 15, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1692,1693,
 &end
#
#  108 GLU  HB+         109 GLN  HN          3.50    (#   1228:15  Unique         3.09, 3.45 A)
 &rst
  ixpk= 1228, nxpk= 15, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1677,1678,
 &end
#
#  109 GLN  HG-         109 GLN  HN          2.80    (#   1229:15  Unique         2.03, 3.03 A)
 &rst
  ixpk= 1229, nxpk= 15, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1695,1696,
 &end
#
#    0 AMB  15-2:1230   109 GLN  HN          2.80    (#   1230:15  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 15, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1695,1696,1663,1664,
 &end
#
#  107 ASN  HB+         109 GLN  HN          4.50    (#   1231:15  Unique         2.46, 3.47 A)
 &rst
  ixpk= 1231, nxpk= 15, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1663,1664,
 &end
#
#  108 GLU  HA          109 GLN  HN          4.50    (#   1232:15  Unique         3.28, 3.44 A)
 &rst
  ixpk= 1232, nxpk= 15, iat=1675,1688, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  109 GLN  HA          109 GLN  HN          3.50    (#   1233:15  Unique         2.75, 2.79 A)
 &rst
  ixpk= 1233, nxpk= 15, iat=1690,1688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 ASN  HA          109 GLN  HN          4.50    (#   1235:15  Unique         3.57, 3.79 A)
 &rst
  ixpk= 1235, nxpk= 15, iat=1661,1688, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  110 ASN  HN          109 GLN  HN          3.50    (#   1236:15  Unique         2.75, 3.08 A)
 &rst
  ixpk= 1236, nxpk= 15, iat=1705,1688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 GLU  HN          109 GLN  HN          3.50    (#   1237:15  Unique         2.44, 2.63 A)
 &rst
  ixpk= 1237, nxpk= 15, iat=1673,1688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 GLN  HB-         110 ASN  HN          5.50    (#   1238:15  Unique         1.95, 2.84 A)
 &rst
  ixpk= 1238, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1692,1693,
 &end
#
#    0 AMB  15-2:1239   110 ASN  HN          5.50    (#   1239:15  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1767,1768,1769,1771,1772,1773,1649,1650,1651,1653,
      1654,1655,
 &end
#
#  114 VAL  MGX         110 ASN  HN          4.50    (#   1240:15  Unique         3.82, 6.84 A)
 &rst
  ixpk= 1240, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#  106 VAL  MGY         110 ASN  HN          5.50    (#   1241:15  Unique         4.88, 6.67 A)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  113 ALA  MB          110 ASN  HN          5.50    (#   1242:15  Unique         5.21, 6.31 A)
 &rst
  ixpk= 1242, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1755,1756,1757,
 &end
#
#   26 ALA  MB           26 ALA  HN          2.80    (#   1243:15  Unique         2.07, 2.94 A)
 &rst
  ixpk= 1243, nxpk= 15, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 419, 420, 421,
 &end
#
#  108 GLU  HB-         110 ASN  HN          5.50    (#   1244:15  Unique         4.72, 5.92 A)
 &rst
  ixpk= 1244, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1677,1678,
 &end
#
#  110 ASN  HB-         110 ASN  HN          2.80    (#   1246:15  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1246, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1709,1710,
 &end
#
#  107 ASN  HB+         110 ASN  HN          4.50    (#   1247:15  Unique         2.87, 3.82 A)
 &rst
  ixpk= 1247, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1663,1664,
 &end
#
#  110 ASN  HB+         110 ASN  HN          2.80    (#   1248:15  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1248, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1709,1710,
 &end
#
#  109 GLN  HA          110 ASN  HN          3.50    (#   1249:15  Unique         2.96, 3.45 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=1690,1705, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 ASN  HA          110 ASN  HN          3.50    (#   1250:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 1250, nxpk= 15, iat=1707,1705, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 PHE  HE          110 ASN  HN          4.50    (#   1251:15  Unique         3.96, 5.92 A)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 478, 482,
 &end
#
#   30 PHE  HD          110 ASN  HN          5.50    (#   1252:15  Unique         3.22, 5.36 A)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 476, 484,
 &end
#
#    0 AMB  15-2:1253   110 ASN  HN          4.50    (#   1253:15  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 15, iat=  -1,1705, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1719,1700,1701,
 &end
#
#  109 GLN  HN          110 ASN  HN          3.50    (#   1254:15  Unique         2.75, 3.08 A)
 &rst
  ixpk= 1254, nxpk= 15, iat=1688,1705, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 GLU  HN          110 ASN  HN          5.50    (#   1256:15  Unique         4.53, 5.02 A)
 &rst
  ixpk= 1256, nxpk= 15, iat=1673,1705, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 VAL  MGX         111 GLU  HN          5.50    (#   1257:15  Unique         4.21, 6.38 A)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#    0 AMB  15-2:1258   111 GLU  HN          2.80    (#   1258:15  Single Ambig)
 &rst
  ixpk= 1258, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1723,1724,1723,1724,
 &end
#
#  111 GLU  HG-         111 GLU  HN          3.50    (#   1259:15  Unique         2.13, 2.95 A)
 &rst
  ixpk= 1259, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1726,1727,
 &end
#
#  111 GLU  HG+         111 GLU  HN          2.80    (#   1260:15  Unique         2.13, 2.95 A)
 &rst
  ixpk= 1260, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1726,1727,
 &end
#
#  110 ASN  HB+         111 GLU  HN          5.50    (#   1261:15  Unique         3.55, 4.44 A)
 &rst
  ixpk= 1261, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1709,1710,
 &end
#
#  111 GLU  HA          111 GLU  HN          2.80    (#   1262:15  Unique         2.76, 2.81 A)
 &rst
  ixpk= 1262, nxpk= 15, iat=1721,1719, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 ASN  HA          111 GLU  HN          2.80    (#   1263:15  Unique         2.14, 2.23 A)
 &rst
  ixpk= 1263, nxpk= 15, iat=1707,1719, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 PHE  HE          111 GLU  HN          4.50    (#   1264:15  Unique         1.96, 4.76 A)
 &rst
  ixpk= 1264, nxpk= 15, iat=  -1,1719, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 478, 482,
 &end
#
#  112 GLN  HN          111 GLU  HN          3.50    (#   1267:15  Unique         2.25, 2.61 A)
 &rst
  ixpk= 1267, nxpk= 15, iat=1734,1719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 ASN  HN          111 GLU  HN          4.50    (#   1268:15  Unique         3.32, 4.06 A)
 &rst
  ixpk= 1268, nxpk= 15, iat=1705,1719, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1269   112 GLN  HN          2.80    (#   1269:15  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 15, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1738,1739,1738,1739,1723,1724,
 &end
#
#    0 AMB  15-2:1270   112 GLN  HN          5.50    (#   1270:15  Single Ambig)
 &rst
  ixpk= 1270, nxpk= 15, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1709,1710,1726,1727,
 &end
#
#  112 GLN  HG-         112 GLN  HN          3.50    (#   1271:15  Unique         2.11, 3.55 A)
 &rst
  ixpk= 1271, nxpk= 15, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1741,1742,
 &end
#
#  112 GLN  HG+         112 GLN  HN          3.50    (#   1272:15  Unique         2.11, 3.55 A)
 &rst
  ixpk= 1272, nxpk= 15, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1741,1742,
 &end
#
#  112 GLN  HA          112 GLN  HN          3.50    (#   1273:15  Unique         2.76, 2.80 A)
 &rst
  ixpk= 1273, nxpk= 15, iat=1736,1734, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ALA  HN          112 GLN  HN          3.50    (#   1275:15  Unique         2.48, 2.97 A)
 &rst
  ixpk= 1275, nxpk= 15, iat=1751,1734, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1276   112 GLN  HN          3.50    (#   1276:15  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1719,1746,1747,
 &end
#
#  110 ASN  HA          112 GLN  HN          3.50    (#   1277:15  Unique         3.23, 3.33 A)
 &rst
  ixpk= 1277, nxpk= 15, iat=1707,1734, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1278   113 ALA  HN          5.50    (#   1278:15  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 15, iat=  -1,1751, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1767,1768,1769,1771,1772,1773,1649,1650,1651,1653,
      1654,1655,
 &end
#
#  114 VAL  MGX         113 ALA  HN          4.50    (#   1279:15  Unique         4.26, 6.27 A)
 &rst
  ixpk= 1279, nxpk= 15, iat=  -1,1751, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#  106 VAL  MGY         113 ALA  HN          5.50    (#   1280:15  Unique         4.57, 6.15 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=  -1,1751, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#   27 THR  MG2         113 ALA  HN          5.50    (#   1281:15  Unique         5.70, 6.81 A)
 &rst
  ixpk= 1281, nxpk= 15, iat=  -1,1751, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 431, 432, 433,
 &end
#
#  113 ALA  MB          113 ALA  HN          2.80    (#   1282:15  Unique         2.08, 2.89 A)
 &rst
  ixpk= 1282, nxpk= 15, iat=  -1,1751, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1755,1756,1757,
 &end
#
#    0 AMB  15-2:1283   113 ALA  HN          2.80    (#   1283:15  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1,1751, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1738,1739,1738,1739,
 &end
#
#  111 GLU  HA          113 ALA  HN          5.50    (#   1284:15  Unique         4.48, 4.88 A)
 &rst
  ixpk= 1284, nxpk= 15, iat=1721,1751, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 ALA  HA          113 ALA  HN          2.80    (#   1285:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 1285, nxpk= 15, iat=1753,1751, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 GLU  HN          113 ALA  HN          5.50    (#   1286:15  Unique         4.00, 4.96 A)
 &rst
  ixpk= 1286, nxpk= 15, iat=1719,1751, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  115 GLY  HN          113 ALA  HN          5.50    (#   1287:15  Unique         4.18, 4.31 A)
 &rst
  ixpk= 1287, nxpk= 15, iat=1777,1751, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 VAL  HN          113 ALA  HN          2.80    (#   1288:15  Unique         2.57, 2.78 A)
 &rst
  ixpk= 1288, nxpk= 15, iat=1761,1751, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 GLN  HN          113 ALA  HN          3.50    (#   1289:15  Unique         2.48, 2.97 A)
 &rst
  ixpk= 1289, nxpk= 15, iat=1734,1751, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 VAL  MGY         114 VAL  HN          2.80    (#   1290:15  Unique         2.02, 3.76 A)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#  114 VAL  MGX         114 VAL  HN          2.80    (#   1291:15  Unique         2.02, 3.76 A)
 &rst
  ixpk= 1291, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#  106 VAL  MGY         114 VAL  HN          4.50    (#   1292:15  Unique         2.93, 4.78 A)
 &rst
  ixpk= 1292, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  113 ALA  MB          114 VAL  HN          2.80    (#   1293:15  Unique         2.70, 3.53 A)
 &rst
  ixpk= 1293, nxpk= 15, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1755,1756,1757,
 &end
#
#  114 VAL  HB          114 VAL  HN          2.80    (#   1296:15  Unique         2.41, 2.54 A)
 &rst
  ixpk= 1296, nxpk= 15, iat=1765,1761, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 VAL  HA          114 VAL  HN          3.50    (#   1297:15  Unique         2.79, 2.80 A)
 &rst
  ixpk= 1297, nxpk= 15, iat=1763,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 GLU  HA          114 VAL  HN          3.50    (#   1298:15  Unique         3.46, 3.48 A)
 &rst
  ixpk= 1298, nxpk= 15, iat=1721,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ALA  HA          114 VAL  HN          4.50    (#   1299:15  Unique         3.51, 3.51 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=1753,1761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 ALA  HN          114 VAL  HN          2.80    (#   1300:15  Unique         2.57, 2.78 A)
 &rst
  ixpk= 1300, nxpk= 15, iat=1751,1761, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 GLY  HN          114 VAL  HN          2.80    (#   1302:15  Unique         2.64, 2.68 A)
 &rst
  ixpk= 1302, nxpk= 15, iat=1777,1761, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1304   115 GLY  HN          3.50    (#   1304:15  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 15, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,1769,1771,1772,1773,1649,1650,1651,1653,
      1654,1655,
 &end
#
#  114 VAL  MGX         115 GLY  HN          3.50    (#   1305:15  Unique         3.51, 4.59 A)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1767,1768,1769,1771,1772,1773,
 &end
#
#  113 ALA  MB          115 GLY  HN          5.50    (#   1306:15  Unique         5.02, 5.49 A)
 &rst
  ixpk= 1306, nxpk= 15, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1755,1756,1757,
 &end
#
#    0 AMB  15-2:1307   115 GLY  HN          5.50    (#   1307:15  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 15, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1836,1857,1858,
 &end
#
#    0 AMB  15-2:1308   115 GLY  HN          5.50    (#   1308:15  Single Ambig)
 &rst
  ixpk= 1308, nxpk= 15, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1829,1830,1829,1830,
 &end
#
#  114 VAL  HB          115 GLY  HN          2.80    (#   1309:15  Unique         2.67, 2.73 A)
 &rst
  ixpk= 1309, nxpk= 15, iat=1765,1777, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 VAL  HA          115 GLY  HN          4.50    (#   1310:15  Unique         3.51, 3.52 A)
 &rst
  ixpk= 1310, nxpk= 15, iat=1763,1777, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 GLY  HA-         115 GLY  HN          2.80    (#   1311:15  Unique         2.35, 2.64 A)
 &rst
  ixpk= 1311, nxpk= 15, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1779,1780,
 &end
#
#  115 GLY  HA+         115 GLY  HN          2.80    (#   1312:15  Unique         2.35, 2.64 A)
 &rst
  ixpk= 1312, nxpk= 15, iat=  -1,1777, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1779,1780,
 &end
#
#  112 GLN  HA          115 GLY  HN          3.50    (#   1313:15  Unique         3.55, 3.56 A)
 &rst
  ixpk= 1313, nxpk= 15, iat=1736,1777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ALA  HN          115 GLY  HN          5.50    (#   1314:15  Unique         4.18, 4.31 A)
 &rst
  ixpk= 1314, nxpk= 15, iat=1751,1777, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 PHE  HN          115 GLY  HN          3.50    (#   1315:15  Unique         2.22, 2.27 A)
 &rst
  ixpk= 1315, nxpk= 15, iat=1784,1777, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 VAL  HN          115 GLY  HN          2.80    (#   1316:15  Unique         2.64, 2.68 A)
 &rst
  ixpk= 1316, nxpk= 15, iat=1761,1777, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 PHE  HB-         116 PHE  HN          2.80    (#   1323:15  Unique         2.43, 2.55 A)
 &rst
  ixpk= 1323, nxpk= 15, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1788,1789,
 &end
#
#  116 PHE  HB+         116 PHE  HN          2.80    (#   1324:15  Unique         2.43, 2.55 A)
 &rst
  ixpk= 1324, nxpk= 15, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1788,1789,
 &end
#
#  115 GLY  HA-         116 PHE  HN          3.50    (#   1325:15  Unique         2.92, 3.23 A)
 &rst
  ixpk= 1325, nxpk= 15, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1779,1780,
 &end
#
#  115 GLY  HA+         116 PHE  HN          3.50    (#   1326:15  Unique         2.92, 3.23 A)
 &rst
  ixpk= 1326, nxpk= 15, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1779,1780,
 &end
#
#  113 ALA  HA          116 PHE  HN          3.50    (#   1327:15  Unique         3.11, 3.19 A)
 &rst
  ixpk= 1327, nxpk= 15, iat=1753,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HA          116 PHE  HN          2.80    (#   1328:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1328, nxpk= 15, iat=1786,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1331   116 PHE  HN          4.50    (#   1331:15  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 15, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1792,1800,1714,1715,
 &end
#
#  115 GLY  HN          116 PHE  HN          2.80    (#   1332:15  Unique         2.22, 2.27 A)
 &rst
  ixpk= 1332, nxpk= 15, iat=1777,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1333   116 PHE  HN          5.50    (#   1333:15  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 15, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1761,1825,
 &end
#
#  117 TYR  HN          116 PHE  HN          3.50    (#   1334:15  Unique         2.51, 2.56 A)
 &rst
  ixpk= 1334, nxpk= 15, iat=1804,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  142 LEU  MDY         117 TYR  HN          7.00    (#   1335:15  Unique         4.88, 6.49 A)
 &rst
  ixpk= 1335, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  15-2:1336   117 TYR  HN          5.50    (#   1336:15  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#    0 AMB  15-2:1337   117 TYR  HN          4.50    (#   1337:15  Single Ambig)
 &rst
  ixpk= 1337, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1649,1650,1651,1653,1654,1655,1767,1768,1769,1771,
      1772,1773,
 &end
#
#  113 ALA  MB          117 TYR  HN          4.50    (#   1338:15  Unique         4.52, 5.22 A)
 &rst
  ixpk= 1338, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1755,1756,1757,
 &end
#
#    0 AMB  15-2:1339   117 TYR  HN          2.80    (#   1339:15  Single Ambig)
 &rst
  ixpk= 1339, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1808,1809,1808,1809,
 &end
#
#  116 PHE  HB-         117 TYR  HN          2.80    (#   1340:15  Unique         2.58, 3.29 A)
 &rst
  ixpk= 1340, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1788,1789,
 &end
#
#  116 PHE  HB+         117 TYR  HN          3.50    (#   1341:15  Unique         2.58, 3.29 A)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1788,1789,
 &end
#
#  114 VAL  HA          117 TYR  HN          4.50    (#   1342:15  Unique         4.05, 4.12 A)
 &rst
  ixpk= 1342, nxpk= 15, iat=1763,1804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 ALA  HA          117 TYR  HN          4.50    (#   1343:15  Unique         3.42, 3.50 A)
 &rst
  ixpk= 1343, nxpk= 15, iat=1753,1804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 TYR  HA          117 TYR  HN          2.80    (#   1344:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1344, nxpk= 15, iat=1806,1804, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 PHE  HA          117 TYR  HN          4.50    (#   1345:15  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1345, nxpk= 15, iat=1786,1804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 TYR  HD          117 TYR  HN          3.50    (#   1346:15  Unique         2.01, 3.57 A)
 &rst
  ixpk= 1346, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1812,1821,
 &end
#
#  116 PHE  HD          117 TYR  HN          3.50    (#   1347:15  Unique         3.16, 4.53 A)
 &rst
  ixpk= 1347, nxpk= 15, iat=  -1,1804, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1792,1800,
 &end
#
#  116 PHE  HN          117 TYR  HN          3.50    (#   1348:15  Unique         2.51, 2.56 A)
 &rst
  ixpk= 1348, nxpk= 15, iat=1784,1804, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 LYS  HN          117 TYR  HN          2.80    (#   1349:15  Unique         2.63, 2.70 A)
 &rst
  ixpk= 1349, nxpk= 15, iat=1825,1804, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 LYS  HG-         118 LYS  HN          4.50    (#   1352:15  Unique         3.51, 4.06 A)
 &rst
  ixpk= 1352, nxpk= 15, iat=  -1,1825, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1832,1833,
 &end
#
#    0 AMB  15-2:1353   118 LYS  HN          2.80    (#   1353:15  Single Ambig)
 &rst
  ixpk= 1353, nxpk= 15, iat=  -1,1825, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1835,1836,1832,1833,
 &end
#
#    0 AMB  15-2:1354   118 LYS  HN          2.80    (#   1354:15  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 15, iat=  -1,1825, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1829,1830,1829,1830,
 &end
#
#    0 AMB  15-2:1355   118 LYS  HN          3.50    (#   1355:15  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 15, iat=  -1,1825, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1808,1809,1808,1809,
 &end
#
#    0 AMB  15-2:1357   118 LYS  HN          4.50    (#   1357:15  Single Ambig)
 &rst
  ixpk= 1357, nxpk= 15, iat=  -1,1825, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1779,1780,1806,
 &end
#
#  118 LYS  HA          118 LYS  HN          3.50    (#   1358:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 1358, nxpk= 15, iat=1827,1825, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1359   118 LYS  HN          5.50    (#   1359:15  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 15, iat=  -1,1825, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1784,1869,
 &end
#
#  119 LYS  HN          118 LYS  HN          3.50    (#   1360:15  Unique         2.75, 2.78 A)
 &rst
  ixpk= 1360, nxpk= 15, iat=1847,1825, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 TYR  HN          118 LYS  HN          3.50    (#   1361:15  Unique         2.63, 2.70 A)
 &rst
  ixpk= 1361, nxpk= 15, iat=1804,1825, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HA          118 LYS  HN          5.50    (#   1362:15  Unique         4.54, 4.67 A)
 &rst
  ixpk= 1362, nxpk= 15, iat=1786,1825, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1363   119 LYS  HN          4.50    (#   1363:15  Single Ambig)
 &rst
  ixpk= 1363, nxpk= 15, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#  119 LYS  HG-         119 LYS  HN          3.50    (#   1364:15  Unique         2.22, 3.53 A)
 &rst
  ixpk= 1364, nxpk= 15, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1854,1855,
 &end
#
#    0 AMB  15-2:1366   119 LYS  HN          3.50    (#   1366:15  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 15, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1857,1858,1832,1833,1835,1836,
 &end
#
#    0 AMB  15-2:1367   119 LYS  HN          2.80    (#   1367:15  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 15, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1851,1852,1851,1852,
 &end
#
#  119 LYS  HA          119 LYS  HN          2.80    (#   1368:15  Unique         2.77, 2.77 A)
 &rst
  ixpk= 1368, nxpk= 15, iat=1849,1847, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 PHE  HA          119 LYS  HN          4.50    (#   1369:15  Unique         3.61, 3.66 A)
 &rst
  ixpk= 1369, nxpk= 15, iat=1786,1847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 LYS  HA          119 LYS  HN          5.50    (#   1370:15  Unique         3.50, 3.52 A)
 &rst
  ixpk= 1370, nxpk= 15, iat=1827,1847, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 VAL  HN          119 LYS  HN          2.80    (#   1371:15  Unique         2.78, 2.79 A)
 &rst
  ixpk= 1371, nxpk= 15, iat=1869,1847, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 LYS  HN          119 LYS  HN          3.50    (#   1372:15  Unique         2.75, 2.78 A)
 &rst
  ixpk= 1372, nxpk= 15, iat=1825,1847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1373   120 VAL  HN          2.80    (#   1373:15  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#  119 LYS  HG-         120 VAL  HN          5.50    (#   1374:15  Unique         4.39, 4.81 A)
 &rst
  ixpk= 1374, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1854,1855,
 &end
#
#    0 AMB  15-2:1375   120 VAL  HN          5.50    (#   1375:15  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1857,1858,1832,1833,1386,1387,
 &end
#
#    0 AMB  15-2:1376   120 VAL  HN          2.80    (#   1376:15  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1851,1852,1851,1852,
 &end
#
#  120 VAL  HB          120 VAL  HN          2.80    (#   1377:15  Unique         2.69, 2.70 A)
 &rst
  ixpk= 1377, nxpk= 15, iat=1873,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1378   120 VAL  HN          7.00    (#   1378:15  Single Ambig)
 &rst
  ixpk= 1378, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1808,1809,1808,1809,
 &end
#
#    0 AMB  15-2:1379   120 VAL  HN          5.50    (#   1379:15  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1887,1888,2278,2279,
 &end
#
#  117 TYR  HA          120 VAL  HN          3.50    (#   1380:15  Unique         3.50, 3.52 A)
 &rst
  ixpk= 1380, nxpk= 15, iat=1806,1869, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 LYS  HA          120 VAL  HN          3.50    (#   1381:15  Unique         3.54, 3.54 A)
 &rst
  ixpk= 1381, nxpk= 15, iat=1849,1869, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 VAL  HA          120 VAL  HN          2.80    (#   1382:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1382, nxpk= 15, iat=1871,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 GLY  HA+         120 VAL  HN          5.50    (#   1383:15  Unique         5.00, 5.13 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=  -1,1869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1887,1888,
 &end
#
#  118 LYS  HA          120 VAL  HN          5.50    (#   1384:15  Unique         4.23, 4.27 A)
 &rst
  ixpk= 1384, nxpk= 15, iat=1827,1869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 GLY  HN          120 VAL  HN          2.80    (#   1385:15  Unique         2.57, 2.59 A)
 &rst
  ixpk= 1385, nxpk= 15, iat=1885,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 LYS  HN          120 VAL  HN          2.80    (#   1386:15  Unique         2.78, 2.79 A)
 &rst
  ixpk= 1386, nxpk= 15, iat=1847,1869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 LYS  HN          120 VAL  HN          5.50    (#   1387:15  Unique         4.30, 4.41 A)
 &rst
  ixpk= 1387, nxpk= 15, iat=1825,1869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 PHE  HN          120 VAL  HN          4.50    (#   1388:15  Unique         3.67, 3.82 A)
 &rst
  ixpk= 1388, nxpk= 15, iat=1892,1869, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1389   121 GLY  HN          3.50    (#   1389:15  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 15, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,
 &end
#
#    0 AMB  15-2:1390   121 GLY  HN          5.50    (#   1390:15  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 15, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1851,1852,1851,1852,
 &end
#
#  120 VAL  HB          121 GLY  HN          4.50    (#   1391:15  Unique         3.06, 3.17 A)
 &rst
  ixpk= 1391, nxpk= 15, iat=1873,1885, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 PHE  HB+         121 GLY  HN          5.50    (#   1392:15  Unique         3.86, 4.71 A)
 &rst
  ixpk= 1392, nxpk= 15, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1896,1897,
 &end
#
#  121 GLY  HA-         121 GLY  HN          2.80    (#   1393:15  Unique         2.46, 2.73 A)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1887,1888,
 &end
#
#  119 LYS  HA          121 GLY  HN          4.50    (#   1394:15  Unique         3.71, 3.82 A)
 &rst
  ixpk= 1394, nxpk= 15, iat=1849,1885, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 VAL  HA          121 GLY  HN          3.50    (#   1395:15  Unique         3.37, 3.41 A)
 &rst
  ixpk= 1395, nxpk= 15, iat=1871,1885, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLY  HA+         121 GLY  HN          2.80    (#   1396:15  Unique         2.46, 2.73 A)
 &rst
  ixpk= 1396, nxpk= 15, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1887,1888,
 &end
#
#  118 LYS  HA          121 GLY  HN          4.50    (#   1397:15  Unique         3.25, 3.34 A)
 &rst
  ixpk= 1397, nxpk= 15, iat=1827,1885, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 VAL  HN          121 GLY  HN          2.80    (#   1398:15  Unique         2.57, 2.59 A)
 &rst
  ixpk= 1398, nxpk= 15, iat=1869,1885, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1399   121 GLY  HN          4.50    (#   1399:15  Single Ambig)
 &rst
  ixpk= 1399, nxpk= 15, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1847,2283,
 &end
#
#  122 PHE  HN          121 GLY  HN          2.80    (#   1400:15  Unique         2.16, 2.23 A)
 &rst
  ixpk= 1400, nxpk= 15, iat=1892,1885, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  142 LEU  MDY         122 PHE  HN          5.50    (#   1401:15  Unique         5.48, 7.53 A)
 &rst
  ixpk= 1401, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  15-2:1402   122 PHE  HN          4.50    (#   1402:15  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1875,1876,1877,1879,1880,1881,1875,1876,1877,1879,
      1880,1881,2266,2267,2268,2270,2271,2272,
 &end
#
#    0 AMB  15-2:1403   122 PHE  HN          5.50    (#   1403:15  Single Ambig)
 &rst
  ixpk= 1403, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2214,2215,1919,1920,
 &end
#
#  118 LYS  HG-         122 PHE  HN          5.50    (#   1404:15  Unique         4.84, 5.65 A)
 &rst
  ixpk= 1404, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1832,1833,
 &end
#
#    0 AMB  15-2:1405   122 PHE  HN          4.50    (#   1405:15  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1829,1830,1829,1830,2264,
 &end
#
#    0 AMB  15-2:1406   122 PHE  HN          4.50    (#   1406:15  Single Ambig)
 &rst
  ixpk= 1406, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1808,1809,1808,1809,
 &end
#
#  122 PHE  HB-         122 PHE  HN          3.50    (#   1407:15  Unique         2.29, 2.95 A)
 &rst
  ixpk= 1407, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1896,1897,
 &end
#
#  122 PHE  HB+         122 PHE  HN          2.80    (#   1408:15  Unique         2.29, 2.95 A)
 &rst
  ixpk= 1408, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1896,1897,
 &end
#
#  144 TYR  HA          122 PHE  HN          5.50    (#   1409:15  Unique         3.91, 4.04 A)
 &rst
  ixpk= 1409, nxpk= 15, iat=2241,1892, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 GLY  HA-         122 PHE  HN          3.50    (#   1410:15  Unique         3.07, 3.26 A)
 &rst
  ixpk= 1410, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1887,1888,
 &end
#
#    0 AMB  15-2:1411   122 PHE  HN          5.50    (#   1411:15  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1806,2278,2279,
 &end
#
#  121 GLY  HA+         122 PHE  HN          3.50    (#   1412:15  Unique         3.07, 3.26 A)
 &rst
  ixpk= 1412, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1887,1888,
 &end
#
#  118 LYS  HA          122 PHE  HN          3.50    (#   1413:15  Unique         3.15, 3.29 A)
 &rst
  ixpk= 1413, nxpk= 15, iat=1827,1892, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 PHE  HA          122 PHE  HN          3.50    (#   1414:15  Unique         2.75, 2.76 A)
 &rst
  ixpk= 1414, nxpk= 15, iat=1894,1892, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 PHE  HE          122 PHE  HN          4.50    (#   1415:15  Unique         4.66, 5.35 A)
 &rst
  ixpk= 1415, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1902,1906,
 &end
#
#    0 AMB  15-2:1416   122 PHE  HN          2.80    (#   1416:15  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 15, iat=  -1,1892, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1885,1900,1908,
 &end
#
#  120 VAL  HN          122 PHE  HN          4.50    (#   1417:15  Unique         3.67, 3.82 A)
 &rst
  ixpk= 1417, nxpk= 15, iat=1869,1892, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 LYS  HN          122 PHE  HN          5.50    (#   1418:15  Unique         4.64, 4.65 A)
 &rst
  ixpk= 1418, nxpk= 15, iat=1912,1892, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  142 LEU  MDX         123 LYS  HN          5.50    (#   1419:15  Unique         4.77, 5.68 A)
 &rst
  ixpk= 1419, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#    0 AMB  15-2:1420   123 LYS  HN          4.50    (#   1420:15  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#  142 LEU  HB-         123 LYS  HN          4.50    (#   1421:15  Unique         2.84, 3.21 A)
 &rst
  ixpk= 1421, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2214,2215,
 &end
#
#    0 AMB  15-2:1422   123 LYS  HN          3.50    (#   1422:15  Single Ambig)
 &rst
  ixpk= 1422, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1=2233,2234,2235,1919,1920,1832,1833,
 &end
#
#    0 AMB  15-2:1423   123 LYS  HN          3.50    (#   1423:15  Single Ambig)
 &rst
  ixpk= 1423, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1916,1917,1916,1917,
 &end
#
#  122 PHE  HB-         123 LYS  HN          4.50    (#   1424:15  Unique         2.53, 3.25 A)
 &rst
  ixpk= 1424, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1896,1897,
 &end
#
#  122 PHE  HB+         123 LYS  HN          4.50    (#   1425:15  Unique         2.53, 3.25 A)
 &rst
  ixpk= 1425, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1896,1897,
 &end
#
#  144 TYR  HA          123 LYS  HN          4.50    (#   1426:15  Unique         3.97, 4.06 A)
 &rst
  ixpk= 1426, nxpk= 15, iat=2241,1912, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 LYS  HA          123 LYS  HN          5.50    (#   1427:15  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1427, nxpk= 15, iat=1914,1912, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 PHE  HA          123 LYS  HN          2.80    (#   1428:15  Unique         2.32, 2.35 A)
 &rst
  ixpk= 1428, nxpk= 15, iat=1894,1912, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 PHE  HD          123 LYS  HN          4.50    (#   1429:15  Unique         3.11, 4.43 A)
 &rst
  ixpk= 1429, nxpk= 15, iat=  -1,1912, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1900,1908,
 &end
#
#  145 VAL  HN          123 LYS  HN          5.50    (#   1430:15  Unique         3.65, 3.94 A)
 &rst
  ixpk= 1430, nxpk= 15, iat=2260,1912, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  142 LEU  MDX         124 VAL  HN          4.50    (#   1431:15  Unique         3.91, 5.27 A)
 &rst
  ixpk= 1431, nxpk= 15, iat=  -1,1934, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  124 VAL  MGY         124 VAL  HN          2.80    (#   1433:15  Unique         2.33, 3.76 A)
 &rst
  ixpk= 1433, nxpk= 15, iat=  -1,1934, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#  124 VAL  MGX         124 VAL  HN          2.80    (#   1434:15  Unique         2.33, 3.76 A)
 &rst
  ixpk= 1434, nxpk= 15, iat=  -1,1934, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#  123 LYS  HG+         124 VAL  HN          4.50    (#   1435:15  Unique         2.51, 3.58 A)
 &rst
  ixpk= 1435, nxpk= 15, iat=  -1,1934, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1919,1920,
 &end
#
#    0 AMB  15-2:1436   124 VAL  HN          4.50    (#   1436:15  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 15, iat=  -1,1934, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1919,1920,1832,1833,
 &end
#
#  123 LYS  HD-         124 VAL  HN          4.50    (#   1437:15  Unique         3.64, 4.76 A)
 &rst
  ixpk= 1437, nxpk= 15, iat=  -1,1934, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1922,1923,
 &end
#
#    0 AMB  15-2:1438   124 VAL  HN          3.50    (#   1438:15  Single Ambig)
 &rst
  ixpk= 1438, nxpk= 15, iat=  -1,1934, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1916,1917,1916,1917,
 &end
#
#  124 VAL  HB          124 VAL  HN          2.80    (#   1439:15  Unique         2.52, 2.57 A)
 &rst
  ixpk= 1439, nxpk= 15, iat=1938,1934, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 VAL  HA          124 VAL  HN          2.80    (#   1440:15  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1440, nxpk= 15, iat=1936,1934, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 LYS  HA          124 VAL  HN          2.80    (#   1441:15  Unique         2.14, 2.15 A)
 &rst
  ixpk= 1441, nxpk= 15, iat=1914,1934, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 LYS  HN          124 VAL  HN          5.50    (#   1442:15  Unique         4.13, 4.16 A)
 &rst
  ixpk= 1442, nxpk= 15, iat=1912,1934, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 THR  HN          124 VAL  HN          5.50    (#   1443:15  Unique         4.31, 4.36 A)
 &rst
  ixpk= 1443, nxpk= 15, iat=1950,1934, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  142 LEU  MDX         125 THR  HN          3.50    (#   1444:15  Unique         3.62, 5.92 A)
 &rst
  ixpk= 1444, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  124 VAL  MGY         125 THR  HN          3.50    (#   1445:15  Unique         2.92, 4.57 A)
 &rst
  ixpk= 1445, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#    0 AMB  15-2:1446   125 THR  HN          2.80    (#   1446:15  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1956,1957,1958,1940,1941,1942,1944,1945,1946,
 &end
#
#  140 LEU  HB-         125 THR  HN          5.50    (#   1447:15  Unique         5.75, 6.29 A)
 &rst
  ixpk= 1447, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2181,2182,
 &end
#
#  124 VAL  HB          125 THR  HN          4.50    (#   1448:15  Unique         4.20, 4.36 A)
 &rst
  ixpk= 1448, nxpk= 15, iat=1938,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  141 ASN  HB-         125 THR  HN          5.50    (#   1449:15  Unique         3.67, 4.66 A)
 &rst
  ixpk= 1449, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2200,2201,
 &end
#
#  141 ASN  HB+         125 THR  HN          7.00    (#   1450:15  Unique         3.67, 4.66 A)
 &rst
  ixpk= 1450, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2200,2201,
 &end
#
#  125 THR  HB          125 THR  HN          4.50    (#   1451:15  Unique         3.70, 3.78 A)
 &rst
  ixpk= 1451, nxpk= 15, iat=1954,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  142 LEU  HA          125 THR  HN          2.80    (#   1452:15  Unique         2.66, 2.75 A)
 &rst
  ixpk= 1452, nxpk= 15, iat=2212,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 GLY  HN          125 THR  HN          2.80    (#   1453:15  Unique         1.87, 2.01 A)
 &rst
  ixpk= 1453, nxpk= 15, iat=1964,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 VAL  HN          125 THR  HN          5.50    (#   1454:15  Unique         4.31, 4.36 A)
 &rst
  ixpk= 1454, nxpk= 15, iat=1934,1950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  143 ALA  HN          125 THR  HN          5.50    (#   1455:15  Unique         3.68, 3.83 A)
 &rst
  ixpk= 1455, nxpk= 15, iat=2229,1950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 THR  HA          125 THR  HN          2.80    (#   1456:15  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1456, nxpk= 15, iat=1952,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 VAL  HA          125 THR  HN          2.80    (#   1457:15  Unique         2.14, 2.16 A)
 &rst
  ixpk= 1457, nxpk= 15, iat=1936,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 VAL  MGY         126 GLY  HN          3.50    (#   1458:15  Unique         2.88, 4.92 A)
 &rst
  ixpk= 1458, nxpk= 15, iat=  -1,1964, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#    0 AMB  15-2:1459   125 THR  HN          4.50    (#   1459:15  Single Ambig)
 &rst
  ixpk= 1459, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2233,2234,2235,1607,1608,1609,
 &end
#
#    0 AMB  15-2:1460   126 GLY  HN          2.80    (#   1460:15  Single Ambig)
 &rst
  ixpk= 1460, nxpk= 15, iat=  -1,1964, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1940,1941,1942,1944,1945,1946,1956,1957,1958,
 &end
#
#  141 ASN  HB-         126 GLY  HN          2.80    (#   1461:15  Unique         2.87, 3.53 A)
 &rst
  ixpk= 1461, nxpk= 15, iat=  -1,1964, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2200,2201,
 &end
#
#  124 VAL  HB          126 GLY  HN          5.50    (#   1462:15  Unique         4.82, 5.17 A)
 &rst
  ixpk= 1462, nxpk= 15, iat=1938,1964, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  141 ASN  HB+         126 GLY  HN          3.50    (#   1463:15  Unique         2.87, 3.53 A)
 &rst
  ixpk= 1463, nxpk= 15, iat=  -1,1964, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2200,2201,
 &end
#
#  126 GLY  HA-         126 GLY  HN          2.80    (#   1464:15  Unique         2.51, 2.75 A)
 &rst
  ixpk= 1464, nxpk= 15, iat=  -1,1964, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1966,1967,
 &end
#
#  126 GLY  HA+         126 GLY  HN          2.80    (#   1465:15  Unique         2.51, 2.75 A)
 &rst
  ixpk= 1465, nxpk= 15, iat=  -1,1964, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1966,1967,
 &end
#
#  125 THR  HB          126 GLY  HN          4.50    (#   1466:15  Unique         4.06, 4.19 A)
 &rst
  ixpk= 1466, nxpk= 15, iat=1954,1964, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 THR  HA          126 GLY  HN          3.50    (#   1467:15  Unique         3.13, 3.41 A)
 &rst
  ixpk= 1467, nxpk= 15, iat=1952,1964, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 VAL  HA          126 GLY  HN          3.50    (#   1468:15  Unique         3.35, 3.45 A)
 &rst
  ixpk= 1468, nxpk= 15, iat=1936,1964, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  140 LEU  HA          126 GLY  HN          5.50    (#   1469:15  Unique         5.05, 5.21 A)
 &rst
  ixpk= 1469, nxpk= 15, iat=2179,1964, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1470   126 GLY  HN          5.50    (#   1470:15  Single Ambig)
 &rst
  ixpk= 1470, nxpk= 15, iat=  -1,1964, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1973,2198,
 &end
#
#  142 LEU  HA          126 GLY  HN          5.50    (#   1471:15  Unique         4.07, 4.17 A)
 &rst
  ixpk= 1471, nxpk= 15, iat=2212,1964, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ARG  HN          126 GLY  HN          4.50    (#   1472:15  Unique         3.38, 4.35 A)
 &rst
  ixpk= 1472, nxpk= 15, iat=1971,1964, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  141 ASN  HN          126 GLY  HN          3.50    (#   1473:15  Unique         3.19, 3.32 A)
 &rst
  ixpk= 1473, nxpk= 15, iat=2196,1964, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 THR  HN          126 GLY  HN          2.80    (#   1474:15  Unique         1.87, 2.01 A)
 &rst
  ixpk= 1474, nxpk= 15, iat=1950,1964, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ARG  HG-         127 ARG  HN          3.50    (#   1476:15  Unique         2.99, 3.56 A)
 &rst
  ixpk= 1476, nxpk= 15, iat=  -1,1971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1978,1979,
 &end
#
#  127 ARG  HG+         127 ARG  HN          3.50    (#   1477:15  Unique         2.99, 3.56 A)
 &rst
  ixpk= 1477, nxpk= 15, iat=  -1,1971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1978,1979,
 &end
#
#  127 ARG  HB-         127 ARG  HN          3.50    (#   1478:15  Unique         2.19, 3.44 A)
 &rst
  ixpk= 1478, nxpk= 15, iat=  -1,1971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1975,1976,
 &end
#
#  127 ARG  HB+         127 ARG  HN          3.50    (#   1479:15  Unique         2.19, 3.44 A)
 &rst
  ixpk= 1479, nxpk= 15, iat=  -1,1971, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1975,1976,
 &end
#
#  126 GLY  HA-         127 ARG  HN          2.80    (#   1480:15  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1480, nxpk= 15, iat=  -1,1971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1966,1967,
 &end
#
#  126 GLY  HA+         127 ARG  HN          2.80    (#   1481:15  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1481, nxpk= 15, iat=  -1,1971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1966,1967,
 &end
#
#  140 LEU  HA          127 ARG  HN          5.50    (#   1483:15  Unique         4.71, 4.82 A)
 &rst
  ixpk= 1483, nxpk= 15, iat=2179,1971, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ARG  HA          127 ARG  HN          3.50    (#   1484:15  Unique         2.89, 2.90 A)
 &rst
  ixpk= 1484, nxpk= 15, iat=1973,1971, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 GLY  HN          127 ARG  HN          4.50    (#   1485:15  Unique         3.38, 4.35 A)
 &rst
  ixpk= 1485, nxpk= 15, iat=1964,1971, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  141 ASN  HN          127 ARG  HN          5.50    (#   1486:15  Unique         4.39, 4.51 A)
 &rst
  ixpk= 1486, nxpk= 15, iat=2196,1971, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1488   128 SER  HN          3.50    (#   1488:15  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 15, iat=  -1,1995, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 &end
#
#  127 ARG  HG-         128 SER  HN          2.80    (#   1489:15  Unique         2.88, 3.49 A)
 &rst
  ixpk= 1489, nxpk= 15, iat=  -1,1995, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1978,1979,
 &end
#
#  127 ARG  HG+         128 SER  HN          2.80    (#   1490:15  Unique         2.88, 3.49 A)
 &rst
  ixpk= 1490, nxpk= 15, iat=  -1,1995, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1978,1979,
 &end
#
#  127 ARG  HB-         128 SER  HN          3.50    (#   1491:15  Unique         2.80, 3.44 A)
 &rst
  ixpk= 1491, nxpk= 15, iat=  -1,1995, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1975,1976,
 &end
#
#  127 ARG  HB+         128 SER  HN          2.80    (#   1492:15  Unique         2.80, 3.44 A)
 &rst
  ixpk= 1492, nxpk= 15, iat=  -1,1995, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1975,1976,
 &end
#
#  128 SER  HB-         128 SER  HN          3.50    (#   1493:15  Unique         2.35, 2.94 A)
 &rst
  ixpk= 1493, nxpk= 15, iat=  -1,1995, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1999,2000,
 &end
#
#  128 SER  HB+         128 SER  HN          3.50    (#   1494:15  Unique         2.35, 2.94 A)
 &rst
  ixpk= 1494, nxpk= 15, iat=  -1,1995, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1999,2000,
 &end
#
#  128 SER  HA          128 SER  HN          3.50    (#   1495:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1495, nxpk= 15, iat=1997,1995, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  140 LEU  HA          128 SER  HN          3.50    (#   1496:15  Unique         3.45, 3.54 A)
 &rst
  ixpk= 1496, nxpk= 15, iat=2179,1995, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ARG  HA          128 SER  HN          2.80    (#   1497:15  Unique         2.32, 2.35 A)
 &rst
  ixpk= 1497, nxpk= 15, iat=1973,1995, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  139 LEU  HN          128 SER  HN          3.50    (#   1498:15  Unique         3.42, 3.50 A)
 &rst
  ixpk= 1498, nxpk= 15, iat=2158,1995, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 GLU  HN          128 SER  HN          5.50    (#   1499:15  Unique         4.47, 4.49 A)
 &rst
  ixpk= 1499, nxpk= 15, iat=2006,1995, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 VAL  MGY         129 GLU  HN          5.50    (#   1500:15  Unique         3.71, 5.44 A)
 &rst
  ixpk= 1500, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  MGX         129 GLU  HN          4.50    (#   1501:15  Unique         3.71, 5.44 A)
 &rst
  ixpk= 1501, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  129 GLU  HB-         129 GLU  HN          2.80    (#   1502:15  Unique         2.41, 3.08 A)
 &rst
  ixpk= 1502, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2010,2011,
 &end
#
#  129 GLU  HB+         129 GLU  HN          2.80    (#   1503:15  Unique         2.41, 3.08 A)
 &rst
  ixpk= 1503, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2010,2011,
 &end
#
#  129 GLU  HG-         129 GLU  HN          2.80    (#   1504:15  Unique         2.32, 3.03 A)
 &rst
  ixpk= 1504, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2013,2014,
 &end
#
#  129 GLU  HG+         129 GLU  HN          3.50    (#   1505:15  Unique         2.32, 3.03 A)
 &rst
  ixpk= 1505, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2013,2014,
 &end
#
#  128 SER  HB-         129 GLU  HN          4.50    (#   1506:15  Unique         2.47, 3.28 A)
 &rst
  ixpk= 1506, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1999,2000,
 &end
#
#  128 SER  HB+         129 GLU  HN          3.50    (#   1507:15  Unique         2.47, 3.28 A)
 &rst
  ixpk= 1507, nxpk= 15, iat=  -1,2006, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1999,2000,
 &end
#
#  129 GLU  HA          129 GLU  HN          3.50    (#   1508:15  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1508, nxpk= 15, iat=2008,2006, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  128 SER  HA          129 GLU  HN          2.80    (#   1511:15  Unique         2.34, 2.41 A)
 &rst
  ixpk= 1511, nxpk= 15, iat=1997,2006, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 VAL  HN          129 GLU  HN          2.80    (#   1512:15  Unique         2.19, 2.28 A)
 &rst
  ixpk= 1512, nxpk= 15, iat=2021,2006, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 SER  HN          129 GLU  HN          4.50    (#   1513:15  Unique         4.47, 4.49 A)
 &rst
  ixpk= 1513, nxpk= 15, iat=1995,2006, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  130 VAL  MGY         130 VAL  HN          3.50    (#   1514:15  Unique         1.99, 3.55 A)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  MGX         130 VAL  HN          2.80    (#   1515:15  Unique         1.99, 3.55 A)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  HB          130 VAL  HN          4.50    (#   1516:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 1516, nxpk= 15, iat=2025,2021, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  129 GLU  HB-         130 VAL  HN          3.50    (#   1517:15  Unique         2.45, 3.13 A)
 &rst
  ixpk= 1517, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2010,2011,
 &end
#
#  129 GLU  HB+         130 VAL  HN          4.50    (#   1518:15  Unique         2.45, 3.13 A)
 &rst
  ixpk= 1518, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2010,2011,
 &end
#
#  138 PRO  HB+         130 VAL  HN          4.50    (#   1519:15  Unique         2.66, 3.43 A)
 &rst
  ixpk= 1519, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2151,2152,
 &end
#
#  128 SER  HB-         130 VAL  HN          4.50    (#   1520:15  Unique         2.90, 3.85 A)
 &rst
  ixpk= 1520, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1999,2000,
 &end
#
#  128 SER  HB+         130 VAL  HN          3.50    (#   1521:15  Unique         2.90, 3.85 A)
 &rst
  ixpk= 1521, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1999,2000,
 &end
#
#    0 AMB  15-2:1522   130 VAL  HN          3.50    (#   1522:15  Single Ambig)
 &rst
  ixpk= 1522, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2008,2154,
 &end
#
#  131 ASP  HA          130 VAL  HN          5.50    (#   1523:15  Unique         5.04, 5.09 A)
 &rst
  ixpk= 1523, nxpk= 15, iat=2039,2021, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1524   130 VAL  HN          2.80    (#   1524:15  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 15, iat=  -1,2021, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2023,1997,
 &end
#
#  129 GLU  HN          130 VAL  HN          2.80    (#   1525:15  Unique         2.19, 2.28 A)
 &rst
  ixpk= 1525, nxpk= 15, iat=2006,2021, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 VAL  MGY         131 ASP  HN          2.80    (#   1526:15  Unique         3.07, 4.22 A)
 &rst
  ixpk= 1526, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  135 LYS  HG+         131 ASP  HN          4.50    (#   1527:15  Unique         2.87, 3.75 A)
 &rst
  ixpk= 1527, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2094,2095,
 &end
#
#  130 VAL  MGX         131 ASP  HN          2.80    (#   1528:15  Unique         3.07, 4.22 A)
 &rst
  ixpk= 1528, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  131 ASP  HB+         131 ASP  HN          3.50    (#   1530:15  Unique         2.27, 2.56 A)
 &rst
  ixpk= 1530, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2041,2042,
 &end
#
#  131 ASP  HB-         131 ASP  HN          2.80    (#   1531:15  Unique         2.27, 2.56 A)
 &rst
  ixpk= 1531, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2041,2042,
 &end
#
#  134 GLY  HA+         131 ASP  HN          5.50    (#   1532:15  Unique         4.38, 5.16 A)
 &rst
  ixpk= 1532, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2082,2083,
 &end
#
#    0 AMB  15-2:1533   131 ASP  HN          2.80    (#   1533:15  Single Ambig)
 &rst
  ixpk= 1533, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2039,2119,
 &end
#
#  130 VAL  HA          131 ASP  HN          2.80    (#   1534:15  Unique         2.45, 2.48 A)
 &rst
  ixpk= 1534, nxpk= 15, iat=2023,2037, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 VAL  HN          131 ASP  HN          5.50    (#   1535:15  Unique         4.44, 4.45 A)
 &rst
  ixpk= 1535, nxpk= 15, iat=2021,2037, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1536   131 ASP  HN          5.50    (#   1536:15  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2080,2061,
 &end
#
#    0 AMB  15-2:1537   131 ASP  HN          3.50    (#   1537:15  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 15, iat=  -1,2037, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2123,2049,
 &end
#
#  130 VAL  HB          131 ASP  HN          2.80    (#   1538:15  Unique         2.18, 2.30 A)
 &rst
  ixpk= 1538, nxpk= 15, iat=2025,2037, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  135 LYS  HG-         132 ASP  HN          3.50    (#   1539:15  Unique         2.90, 3.61 A)
 &rst
  ixpk= 1539, nxpk= 15, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2094,2095,
 &end
#
#    0 AMB  15-2:1540   132 ASP  HN          2.80    (#   1540:15  Single Ambig)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=2094,2095,2070,2071,2072,2074,2075,2076,
 &end
#
#  132 ASP  HB-         132 ASP  HN          2.80    (#   1542:15  Unique         2.88, 3.29 A)
 &rst
  ixpk= 1542, nxpk= 15, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2053,2054,
 &end
#
#    0 AMB  15-2:1543   132 ASP  HN          2.80    (#   1543:15  Single Ambig)
 &rst
  ixpk= 1543, nxpk= 15, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2053,2054,2100,2101,
 &end
#
#  131 ASP  HB-         132 ASP  HN          2.80    (#   1544:15  Unique         1.90, 2.72 A)
 &rst
  ixpk= 1544, nxpk= 15, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2041,2042,
 &end
#
#  131 ASP  HB+         132 ASP  HN          2.80    (#   1545:15  Unique         1.90, 2.72 A)
 &rst
  ixpk= 1545, nxpk= 15, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2041,2042,
 &end
#
#  132 ASP  HA          132 ASP  HN          2.80    (#   1546:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1546, nxpk= 15, iat=2051,2049, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 ASP  HA          132 ASP  HN          3.50    (#   1547:15  Unique         3.55, 3.56 A)
 &rst
  ixpk= 1547, nxpk= 15, iat=2039,2049, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1548   132 ASP  HN          2.80    (#   1548:15  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 15, iat=  -1,2049, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2061,2080,
 &end
#
#  131 ASP  HN          132 ASP  HN          5.50    (#   1550:15  Unique         2.83, 2.93 A)
 &rst
  ixpk= 1550, nxpk= 15, iat=2037,2049, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1551   133 LEU  HN          2.80    (#   1551:15  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 15, iat=  -1,2061, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=2094,2095,2094,2095,2070,2071,2072,2074,2075,2076,
      
 &end
#
#  133 LEU  MDX         133 LEU  HN          4.50    (#   1552:15  Unique         2.64, 4.20 A)
 &rst
  ixpk= 1552, nxpk= 15, iat=  -1,2061, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2070,2071,2072,2074,2075,2076,
 &end
#
#  133 LEU  HG          133 LEU  HN          2.80    (#   1553:15  Unique         2.09, 2.20 A)
 &rst
  ixpk= 1553, nxpk= 15, iat=2068,2061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1554     0 AMB  15-1:1554   2.80    (#   1554:15  Double Ambig)
 &rst
  ixpk= 1554, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2065,2066, 260,
 igr2=2061, 272,
 &end
#
#  133 LEU  HB+         133 LEU  HN          2.80    (#   1555:15  Unique         2.56, 3.12 A)
 &rst
  ixpk= 1555, nxpk= 15, iat=  -1,2061, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2065,2066,
 &end
#
#    0 AMB  15-2:1556   133 LEU  HN          3.50    (#   1556:15  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 15, iat=  -1,2061, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2053,2054,2100,2101,2100,2101,
 &end
#
#  132 ASP  HB-         133 LEU  HN          3.50    (#   1557:15  Unique         2.40, 3.08 A)
 &rst
  ixpk= 1557, nxpk= 15, iat=  -1,2061, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2053,2054,
 &end
#
#  134 GLY  HA-         133 LEU  HN          4.50    (#   1558:15  Unique         4.91, 5.06 A)
 &rst
  ixpk= 1558, nxpk= 15, iat=  -1,2061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2082,2083,
 &end
#
#  131 ASP  HB+         133 LEU  HN          4.50    (#   1559:15  Unique         3.10, 4.18 A)
 &rst
  ixpk= 1559, nxpk= 15, iat=  -1,2061, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2041,2042,
 &end
#
#  132 ASP  HA          133 LEU  HN          4.50    (#   1560:15  Unique         3.53, 3.56 A)
 &rst
  ixpk= 1560, nxpk= 15, iat=2051,2061, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  133 LEU  HA          133 LEU  HN          2.80    (#   1561:15  Unique         2.85, 2.88 A)
 &rst
  ixpk= 1561, nxpk= 15, iat=2063,2061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  132 ASP  HN          133 LEU  HN          2.80    (#   1562:15  Unique         1.92, 2.14 A)
 &rst
  ixpk= 1562, nxpk= 15, iat=2049,2061, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  135 LYS  HN          133 LEU  HN          3.50    (#   1563:15  Unique         3.22, 3.40 A)
 &rst
  ixpk= 1563, nxpk= 15, iat=2087,2061, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 VAL  MGY         134 GLY  HN          5.50    (#   1564:15  Unique         3.94, 5.00 A)
 &rst
  ixpk= 1564, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#    0 AMB  15-2:1565   134 GLY  HN          4.50    (#   1565:15  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2094,2095,2094,2095,
 &end
#
#  130 VAL  MGX         134 GLY  HN          3.50    (#   1566:15  Unique         3.94, 5.00 A)
 &rst
  ixpk= 1566, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  133 LEU  HG          134 GLY  HN          5.50    (#   1567:15  Unique         4.39, 4.48 A)
 &rst
  ixpk= 1567, nxpk= 15, iat=2068,2080, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1568   134 GLY  HN          3.50    (#   1568:15  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=2025,2065,2066,
 &end
#
#  133 LEU  HB+         134 GLY  HN          4.50    (#   1569:15  Unique         3.37, 3.96 A)
 &rst
  ixpk= 1569, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2065,2066,
 &end
#
#  135 LYS  HB+         134 GLY  HN          5.50    (#   1570:15  Unique         4.62, 5.33 A)
 &rst
  ixpk= 1570, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2091,2092,
 &end
#
#  134 GLY  HA-         134 GLY  HN          2.80    (#   1571:15  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1571, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2082,2083,
 &end
#
#  134 GLY  HA+         134 GLY  HN          2.80    (#   1572:15  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1572, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2082,2083,
 &end
#
#    0 AMB  15-2:1573   134 GLY  HN          4.50    (#   1573:15  Single Ambig)
 &rst
  ixpk= 1573, nxpk= 15, iat=  -1,2080, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2051,2089,
 &end
#
#  133 LEU  HA          134 GLY  HN          3.50    (#   1574:15  Unique         2.92, 3.23 A)
 &rst
  ixpk= 1574, nxpk= 15, iat=2063,2080, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  132 ASP  HN          134 GLY  HN          4.50    (#   1575:15  Unique         2.35, 2.50 A)
 &rst
  ixpk= 1575, nxpk= 15, iat=2049,2080, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  135 LYS  HN          134 GLY  HN          2.80    (#   1576:15  Unique         2.08, 2.21 A)
 &rst
  ixpk= 1576, nxpk= 15, iat=2087,2080, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1577   135 LYS  HN          2.80    (#   1577:15  Single Ambig)
 &rst
  ixpk= 1577, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2094,2095,2094,2095,
 &end
#
#  135 LYS  HD-         135 LYS  HN          5.50    (#   1578:15  Unique         2.84, 4.08 A)
 &rst
  ixpk= 1578, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2097,2098,
 &end
#
#  135 LYS  HD+         135 LYS  HN          5.50    (#   1579:15  Unique         2.84, 4.08 A)
 &rst
  ixpk= 1579, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2097,2098,
 &end
#
#  135 LYS  HB-         135 LYS  HN          4.50    (#   1580:15  Unique         2.69, 3.23 A)
 &rst
  ixpk= 1580, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2091,2092,
 &end
#
#    0 AMB  15-2:1581   135 LYS  HN          4.50    (#   1581:15  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=2025,2065,2066,
 &end
#
#  135 LYS  HB+         135 LYS  HN          3.50    (#   1582:15  Unique         2.69, 3.23 A)
 &rst
  ixpk= 1582, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2091,2092,
 &end
#
#  134 GLY  HA-         135 LYS  HN          4.50    (#   1583:15  Unique         2.94, 3.26 A)
 &rst
  ixpk= 1583, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2082,2083,
 &end
#
#  134 GLY  HA+         135 LYS  HN          5.50    (#   1584:15  Unique         2.94, 3.26 A)
 &rst
  ixpk= 1584, nxpk= 15, iat=  -1,2087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2082,2083,
 &end
#
#  135 LYS  HA          135 LYS  HN          4.50    (#   1585:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 1585, nxpk= 15, iat=2089,2087, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  134 GLY  HN          135 LYS  HN          2.80    (#   1586:15  Unique         2.08, 2.21 A)
 &rst
  ixpk= 1586, nxpk= 15, iat=2080,2087, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 VAL  MGY         137 TYR  HN          4.50    (#   1587:15  Unique         3.46, 5.43 A)
 &rst
  ixpk= 1587, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  130 VAL  MGX         137 TYR  HN          5.50    (#   1588:15  Unique         3.46, 5.43 A)
 &rst
  ixpk= 1588, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2027,2028,2029,2031,2032,2033,
 &end
#
#  136 PRO  HG+         137 TYR  HN          5.50    (#   1589:15  Unique         4.82, 5.31 A)
 &rst
  ixpk= 1589, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2113,2114,
 &end
#
#  130 VAL  HB          137 TYR  HN          4.50    (#   1590:15  Unique         4.34, 4.43 A)
 &rst
  ixpk= 1590, nxpk= 15, iat=2025,2123, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1591   137 TYR  HN          4.50    (#   1591:15  Single Ambig)
 &rst
  ixpk= 1591, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2116,2117,2151,2152,
 &end
#
#    0 AMB  15-2:1592   137 TYR  HN          2.80    (#   1592:15  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2127,2128,2127,2128,
 &end
#
#    0 AMB  15-2:1593   137 TYR  HN          4.50    (#   1593:15  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2145,2146,2041,2042,
 &end
#
#    0 AMB  15-2:1594   137 TYR  HN          3.50    (#   1594:15  Single Ambig)
 &rst
  ixpk= 1594, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2145,2146,2041,2042,
 &end
#
#  136 PRO  HA          137 TYR  HN          2.80    (#   1595:15  Unique         2.35, 2.46 A)
 &rst
  ixpk= 1595, nxpk= 15, iat=2119,2123, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 VAL  HA          137 TYR  HN          2.80    (#   1596:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 1596, nxpk= 15, iat=2023,2123, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  137 TYR  HA          137 TYR  HN          3.50    (#   1597:15  Unique         2.82, 2.85 A)
 &rst
  ixpk= 1597, nxpk= 15, iat=2125,2123, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  137 TYR  HE          137 TYR  HN          7.00    (#   1598:15  Unique         6.59, 6.92 A)
 &rst
  ixpk= 1598, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2133,2138,
 &end
#
#  130 VAL  HN          137 TYR  HN          5.50    (#   1599:15  Unique         5.58, 5.61 A)
 &rst
  ixpk= 1599, nxpk= 15, iat=2021,2123, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  137 TYR  HD          137 TYR  HN          4.50    (#   1600:15  Unique         4.62, 4.87 A)
 &rst
  ixpk= 1600, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2131,2140,
 &end
#
#  131 ASP  HN          137 TYR  HN          2.80    (#   1601:15  Unique         2.47, 2.69 A)
 &rst
  ixpk= 1601, nxpk= 15, iat=2037,2123, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1602   137 TYR  HN          7.00    (#   1602:15  Single Ambig)
 &rst
  ixpk= 1602, nxpk= 15, iat=  -1,2123, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2116,2117,2148,2149,
 &end
#
#  138 PRO  HA          137 TYR  HN          7.00    (#   1603:15  Unique         4.06, 4.10 A)
 &rst
  ixpk= 1603, nxpk= 15, iat=2154,2123, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:1604   139 LEU  HN          3.50    (#   1604:15  Single Ambig)
 &rst
  ixpk= 1604, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 &end
#
#    0 AMB  15-2:1605   139 LEU  HN          3.50    (#   1605:15  Single Ambig)
 &rst
  ixpk= 1605, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,2165,
 &end
#
#  139 LEU  HB-         139 LEU  HN          3.50    (#   1606:15  Unique         2.58, 2.90 A)
 &rst
  ixpk= 1606, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2162,2163,
 &end
#
#  139 LEU  HB+         139 LEU  HN          2.80    (#   1607:15  Unique         2.58, 2.90 A)
 &rst
  ixpk= 1607, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2162,2163,
 &end
#
#  138 PRO  HB-         139 LEU  HN          2.80    (#   1608:15  Unique         1.95, 2.60 A)
 &rst
  ixpk= 1608, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2151,2152,
 &end
#
#    0 AMB  15-2:1609   139 LEU  HN          4.50    (#   1609:15  Single Ambig)
 &rst
  ixpk= 1609, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2148,2149,1677,1678,
 &end
#
#  138 PRO  HB+         139 LEU  HN          3.50    (#   1610:15  Unique         1.95, 2.60 A)
 &rst
  ixpk= 1610, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2151,2152,
 &end
#
#    0 AMB  15-2:1611   139 LEU  HN          5.50    (#   1611:15  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=2145,2146,1675,
 &end
#
#  128 SER  HB-         139 LEU  HN          4.50    (#   1612:15  Unique         1.95, 2.47 A)
 &rst
  ixpk= 1612, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1999,2000,
 &end
#
#  128 SER  HB+         139 LEU  HN          5.50    (#   1613:15  Unique         1.95, 2.47 A)
 &rst
  ixpk= 1613, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1999,2000,
 &end
#
#  138 PRO  HA          139 LEU  HN          2.80    (#   1614:15  Unique         2.65, 2.67 A)
 &rst
  ixpk= 1614, nxpk= 15, iat=2154,2158, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  131 ASP  HA          139 LEU  HN          4.50    (#   1615:15  Unique         4.09, 4.24 A)
 &rst
  ixpk= 1615, nxpk= 15, iat=2039,2158, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1616   139 LEU  HN          4.50    (#   1616:15  Single Ambig)
 &rst
  ixpk= 1616, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1997,1661,2023,
 &end
#
#  139 LEU  HA          139 LEU  HN          3.50    (#   1617:15  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1617, nxpk= 15, iat=2160,2158, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1619   139 LEU  HN          3.50    (#   1619:15  Single Ambig)
 &rst
  ixpk= 1619, nxpk= 15, iat=  -1,2158, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1995,2177,
 &end
#
#    0 AMB  15-2:1620   140 LEU  HN          2.80    (#   1620:15  Single Ambig)
 &rst
  ixpk= 1620, nxpk= 15, iat=  -1,2177, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,1649,1650,1651,1653,1654,1655,
 &end
#
#  139 LEU  HG          140 LEU  HN          2.80    (#   1621:15  Unique         1.95, 2.02 A)
 &rst
  ixpk= 1621, nxpk= 15, iat=2165,2177, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  106 VAL  MGY         140 LEU  HN          5.50    (#   1622:15  Unique         3.49, 5.36 A)
 &rst
  ixpk= 1622, nxpk= 15, iat=  -1,2177, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  139 LEU  HB-         140 LEU  HN          3.50    (#   1623:15  Unique         2.93, 3.45 A)
 &rst
  ixpk= 1623, nxpk= 15, iat=  -1,2177, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2162,2163,
 &end
#
#  140 LEU  HB-         140 LEU  HN          2.80    (#   1624:15  Unique         2.77, 3.36 A)
 &rst
  ixpk= 1624, nxpk= 15, iat=  -1,2177, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2181,2182,
 &end
#
#  140 LEU  HG          140 LEU  HN          2.80    (#   1625:15  Unique         2.53, 2.67 A)
 &rst
  ixpk= 1625, nxpk= 15, iat=2184,2177, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  139 LEU  HB+         140 LEU  HN          3.50    (#   1626:15  Unique         2.93, 3.45 A)
 &rst
  ixpk= 1626, nxpk= 15, iat=  -1,2177, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2162,2163,
 &end
#
#  140 LEU  HB+         140 LEU  HN          2.80    (#   1627:15  Unique         2.77, 3.36 A)
 &rst
  ixpk= 1627, nxpk= 15, iat=  -1,2177, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2181,2182,
 &end
#
#  106 VAL  HB          140 LEU  HN          5.50    (#   1628:15  Unique         5.32, 5.51 A)
 &rst
  ixpk= 1628, nxpk= 15, iat=1647,2177, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  107 ASN  HA          140 LEU  HN          3.50    (#   1629:15  Unique         3.20, 3.46 A)
 &rst
  ixpk= 1629, nxpk= 15, iat=1661,2177, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  140 LEU  HA          140 LEU  HN          3.50    (#   1630:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1630, nxpk= 15, iat=2179,2177, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  139 LEU  HA          140 LEU  HN          2.80    (#   1631:15  Unique         2.41, 2.46 A)
 &rst
  ixpk= 1631, nxpk= 15, iat=2160,2177, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1632   140 LEU  HN          4.50    (#   1632:15  Single Ambig)
 &rst
  ixpk= 1632, nxpk= 15, iat=  -1,2177, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2196,2158,
 &end
#
#  106 VAL  HN          140 LEU  HN          3.50    (#   1633:15  Unique         2.56, 2.71 A)
 &rst
  ixpk= 1633, nxpk= 15, iat=1643,2177, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1634   141 ASN  HN          3.50    (#   1634:15  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2186,2187,2188,2190,2191,2192,2186,2187,2188,2190,
      2191,2192,
 &end
#
#  124 VAL  MGX         141 ASN  HN          3.50    (#   1635:15  Unique         2.96, 5.13 A)
 &rst
  ixpk= 1635, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1940,1941,1942,1944,1945,1946,
 &end
#
#    0 AMB  15-2:1636   141 ASN  HN          2.80    (#   1636:15  Single Ambig)
 &rst
  ixpk= 1636, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2181,2182,1978,1979,1978,1979,
 &end
#
#    0 AMB  15-2:1637   141 ASN  HN          5.50    (#   1637:15  Single Ambig)
 &rst
  ixpk= 1637, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2217,2184,
 &end
#
#  140 LEU  HB+         141 ASN  HN          3.50    (#   1638:15  Unique         2.92, 3.36 A)
 &rst
  ixpk= 1638, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2181,2182,
 &end
#
#  141 ASN  HB-         141 ASN  HN          2.80    (#   1639:15  Unique         2.32, 2.76 A)
 &rst
  ixpk= 1639, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2200,2201,
 &end
#
#  141 ASN  HB+         141 ASN  HN          3.50    (#   1640:15  Unique         2.32, 2.76 A)
 &rst
  ixpk= 1640, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2200,2201,
 &end
#
#  140 LEU  HA          141 ASN  HN          2.80    (#   1642:15  Unique         2.22, 2.22 A)
 &rst
  ixpk= 1642, nxpk= 15, iat=2179,2196, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1643   141 ASN  HN          2.80    (#   1643:15  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2198,1973,
 &end
#
#  141 ASN  HD2+        141 ASN  HN          7.00    (#   1644:15  Unique         4.28, 5.01 A)
 &rst
  ixpk= 1644, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=2205,2206,
 &end
#
#  126 GLY  HN          141 ASN  HN          3.50    (#   1645:15  Unique         3.19, 3.32 A)
 &rst
  ixpk= 1645, nxpk= 15, iat=1964,2196, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1646   141 ASN  HN          4.50    (#   1646:15  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 15, iat=  -1,2196, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2177,1995,
 &end
#
#  125 THR  HN          141 ASN  HN          5.50    (#   1647:15  Unique         4.22, 4.56 A)
 &rst
  ixpk= 1647, nxpk= 15, iat=1950,2196, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 THR  MG2         142 LEU  HN          4.50    (#   1648:15  Unique         3.33, 4.14 A)
 &rst
  ixpk= 1648, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1621,1622,1623,
 &end
#
#    5 ILE  MG2           6 ARG  HN          2.80    (#   1649:15  Unique         2.24, 3.16 A)
 &rst
  ixpk= 1649, nxpk= 15, iat=  -1,  86, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  73,  74,  75,
 &end
#
#  142 LEU  MDX         142 LEU  HN          4.50    (#   1650:15  Unique         3.34, 4.29 A)
 &rst
  ixpk= 1650, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  HB-         142 LEU  HN          3.50    (#   1651:15  Unique         3.06, 3.48 A)
 &rst
  ixpk= 1651, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2214,2215,
 &end
#
#  142 LEU  HB+         142 LEU  HN          3.50    (#   1652:15  Unique         3.06, 3.48 A)
 &rst
  ixpk= 1652, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2214,2215,
 &end
#
#  141 ASN  HB-         142 LEU  HN          5.50    (#   1653:15  Unique         3.43, 4.03 A)
 &rst
  ixpk= 1653, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2200,2201,
 &end
#
#  141 ASN  HB+         142 LEU  HN          3.50    (#   1654:15  Unique         3.43, 4.03 A)
 &rst
  ixpk= 1654, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2200,2201,
 &end
#
#  141 ASN  HA          142 LEU  HN          2.80    (#   1655:15  Unique         2.15, 2.19 A)
 &rst
  ixpk= 1655, nxpk= 15, iat=2198,2210, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  142 LEU  HA          142 LEU  HN          3.50    (#   1656:15  Unique         2.94, 2.94 A)
 &rst
  ixpk= 1656, nxpk= 15, iat=2212,2210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 ASN  HA          142 LEU  HN          3.50    (#   1657:15  Unique         2.99, 3.22 A)
 &rst
  ixpk= 1657, nxpk= 15, iat=1631,2210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  141 ASN  HD2+        142 LEU  HN          4.50    (#   1658:15  Unique         2.68, 3.45 A)
 &rst
  ixpk= 1658, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2205,2206,
 &end
#
#  104 THR  HN          142 LEU  HN          3.50    (#   1659:15  Unique         2.88, 2.98 A)
 &rst
  ixpk= 1659, nxpk= 15, iat=1615,2210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1660   142 LEU  HN          4.50    (#   1660:15  Single Ambig)
 &rst
  ixpk= 1660, nxpk= 15, iat=  -1,2210, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1649,1650,1651,1653,1654,1655,1940,1941,1942,1944,
      1945,1946,1956,1957,1958,
 &end
#
#  142 LEU  MDY         143 ALA  HN          5.50    (#   1661:15  Unique         4.46, 5.79 A)
 &rst
  ixpk= 1661, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  142 LEU  MDX         143 ALA  HN          4.50    (#   1662:15  Unique         4.46, 5.79 A)
 &rst
  ixpk= 1662, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=2219,2220,2221,2223,2224,2225,
 &end
#
#  125 THR  MG2         143 ALA  HN          2.80    (#   1663:15  Unique         2.88, 3.86 A)
 &rst
  ixpk= 1663, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1956,1957,1958,
 &end
#
#  142 LEU  HB-         143 ALA  HN          3.50    (#   1664:15  Unique         3.05, 3.37 A)
 &rst
  ixpk= 1664, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2214,2215,
 &end
#
#    0 AMB  15-2:1665   143 ALA  HN          2.80    (#   1665:15  Single Ambig)
 &rst
  ixpk= 1665, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=2233,2234,2235,1607,1608,1609,
 &end
#
#  142 LEU  HB+         143 ALA  HN          3.50    (#   1666:15  Unique         3.05, 3.37 A)
 &rst
  ixpk= 1666, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=2214,2215,
 &end
#
#    0 AMB  15-2:1667   143 ALA  HN          5.50    (#   1667:15  Single Ambig)
 &rst
  ixpk= 1667, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1916,1917,1916,1917,
 &end
#
#  122 PHE  HB-         143 ALA  HN          4.50    (#   1668:15  Unique         3.91, 4.88 A)
 &rst
  ixpk= 1668, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1896,1897,
 &end
#
#  122 PHE  HB+         143 ALA  HN          5.50    (#   1669:15  Unique         3.91, 4.88 A)
 &rst
  ixpk= 1669, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1896,1897,
 &end
#
#  124 VAL  HA          143 ALA  HN          4.50    (#   1670:15  Unique         3.85, 3.98 A)
 &rst
  ixpk= 1670, nxpk= 15, iat=1936,2229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 PHE  HA          143 ALA  HN          5.50    (#   1671:15  Unique         3.88, 4.13 A)
 &rst
  ixpk= 1671, nxpk= 15, iat=1894,2229, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  143 ALA  HA          143 ALA  HN          3.50    (#   1672:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1672, nxpk= 15, iat=2231,2229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 THR  HA          143 ALA  HN          5.50    (#   1673:15  Unique         4.76, 4.83 A)
 &rst
  ixpk= 1673, nxpk= 15, iat=1603,2229, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  142 LEU  HA          143 ALA  HN          2.80    (#   1674:15  Unique         2.15, 2.21 A)
 &rst
  ixpk= 1674, nxpk= 15, iat=2212,2229, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 PHE  HD          143 ALA  HN          3.50    (#   1675:15  Unique         3.51, 5.38 A)
 &rst
  ixpk= 1675, nxpk= 15, iat=  -1,2229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1900,1908,
 &end
#
#  144 TYR  HN          143 ALA  HN          5.50    (#   1676:15  Unique         4.41, 4.47 A)
 &rst
  ixpk= 1676, nxpk= 15, iat=2239,2229, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 THR  HN          143 ALA  HN          4.50    (#   1677:15  Unique         3.68, 3.83 A)
 &rst
  ixpk= 1677, nxpk= 15, iat=1950,2229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1678   144 TYR  HN          5.50    (#   1678:15  Single Ambig)
 &rst
  ixpk= 1678, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1505,1506,1507,1509,1510,1511,1505,1506,1507,1509,
      1510,1511,
 &end
#
#  102 LEU  HB-         144 TYR  HN          5.50    (#   1679:15  Unique         5.76, 5.91 A)
 &rst
  ixpk= 1679, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1586,1587,
 &end
#
#  102 LEU  HG          144 TYR  HN          5.50    (#   1680:15  Unique         3.76, 3.84 A)
 &rst
  ixpk= 1680, nxpk= 15, iat=1589,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 LEU  HN          144 TYR  HN          5.50    (#   1681:15  Unique         4.34, 4.38 A)
 &rst
  ixpk= 1681, nxpk= 15, iat=1582,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 PHE  HD          144 TYR  HN          4.50    (#   1682:15  Unique         3.29, 5.12 A)
 &rst
  ixpk= 1682, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1900,1908,
 &end
#
#  145 VAL  HN          144 TYR  HN          7.00    (#   1683:15  Unique         4.23, 4.35 A)
 &rst
  ixpk= 1683, nxpk= 15, iat=2260,2239, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  15-2:1684   144 TYR  HN          5.50    (#   1684:15  Single Ambig)
 &rst
  ixpk= 1684, nxpk= 15, iat=  -1,2239, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1615,1892,
 &end
#
#  143 ALA  HN          144 TYR  HN          5.50    (#   1685:15  Unique         4.41, 4.47 A)
 &rst
  ixpk= 1685, nxpk= 15, iat=2229,2239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1686   145 VAL  HN          2.80    (#   1686:15  Single Ambig)
 &rst
  ixpk= 1686, nxpk= 15, iat=  -1,2260, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#  144 TYR  HB-         145 VAL  HN          4.50    (#   1687:15  Unique         4.20, 4.40 A)
 &rst
  ixpk= 1687, nxpk= 15, iat=  -1,2260, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2243,2244,
 &end
#
#  145 VAL  HB          145 VAL  HN          3.50    (#   1688:15  Unique         2.50, 2.60 A)
 &rst
  ixpk= 1688, nxpk= 15, iat=2264,2260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  144 TYR  HB+         145 VAL  HN          5.50    (#   1689:15  Unique         4.20, 4.40 A)
 &rst
  ixpk= 1689, nxpk= 15, iat=  -1,2260, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2243,2244,
 &end
#
#  122 PHE  HB-         145 VAL  HN          5.50    (#   1690:15  Unique         5.19, 5.40 A)
 &rst
  ixpk= 1690, nxpk= 15, iat=  -1,2260, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1896,1897,
 &end
#
#  144 TYR  HA          145 VAL  HN          2.80    (#   1691:15  Unique         2.14, 2.16 A)
 &rst
  ixpk= 1691, nxpk= 15, iat=2241,2260, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:1692   145 VAL  HN          4.50    (#   1692:15  Single Ambig)
 &rst
  ixpk= 1692, nxpk= 15, iat=  -1,2260, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1887,1888,2278,2279,
 &end
#
#  146 GLY  HA+         145 VAL  HN          5.50    (#   1693:15  Unique         4.14, 4.37 A)
 &rst
  ixpk= 1693, nxpk= 15, iat=  -1,2260, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=2278,2279,
 &end
#
#  145 VAL  HA          145 VAL  HN          3.50    (#   1694:15  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1694, nxpk= 15, iat=2262,2260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 PHE  HA          145 VAL  HN          2.80    (#   1695:15  Unique         2.68, 2.76 A)
 &rst
  ixpk= 1695, nxpk= 15, iat=1894,2260, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  144 TYR  HD          145 VAL  HN          4.50    (#   1696:15  Unique         4.00, 4.53 A)
 &rst
  ixpk= 1696, nxpk= 15, iat=  -1,2260, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2247,2256,
 &end
#
#  123 LYS  HN          145 VAL  HN          5.50    (#   1698:15  Unique         3.65, 3.94 A)
 &rst
  ixpk= 1698, nxpk= 15, iat=1912,2260, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1699   146 GLY  HN          3.50    (#   1699:15  Single Ambig)
 &rst
  ixpk= 1699, nxpk= 15, iat=  -1,2276, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#  145 VAL  HB          146 GLY  HN          4.50    (#   1700:15  Unique         3.03, 3.18 A)
 &rst
  ixpk= 1700, nxpk= 15, iat=2264,2276, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  144 TYR  HA          146 GLY  HN          3.50    (#   1701:15  Unique         3.22, 3.45 A)
 &rst
  ixpk= 1701, nxpk= 15, iat=2241,2276, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1702   146 GLY  HN          2.80    (#   1702:15  Single Ambig)
 &rst
  ixpk= 1702, nxpk= 15, iat=  -1,2276, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2278,2279,1887,1888,
 &end
#
#  146 GLY  HA+         146 GLY  HN          2.80    (#   1703:15  Unique         2.29, 2.54 A)
 &rst
  ixpk= 1703, nxpk= 15, iat=  -1,2276, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2278,2279,
 &end
#
#  145 VAL  HA          146 GLY  HN          3.50    (#   1704:15  Unique         3.28, 3.43 A)
 &rst
  ixpk= 1704, nxpk= 15, iat=2262,2276, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLY  HA+         146 GLY  HN          4.50    (#   1705:15  Unique         2.42, 2.88 A)
 &rst
  ixpk= 1705, nxpk= 15, iat=  -1,2276, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1887,1888,
 &end
#
#  122 PHE  HA          146 GLY  HN          5.50    (#   1706:15  Unique         3.76, 4.02 A)
 &rst
  ixpk= 1706, nxpk= 15, iat=1894,2276, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  144 TYR  HD          146 GLY  HN          4.50    (#   1707:15  Unique         4.33, 4.71 A)
 &rst
  ixpk= 1707, nxpk= 15, iat=  -1,2276, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2247,2256,
 &end
#
#  144 TYR  HE          146 GLY  HN          4.50    (#   1708:15  Unique         4.85, 5.13 A)
 &rst
  ixpk= 1708, nxpk= 15, iat=  -1,2276, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=2249,2254,
 &end
#
#  147 ALA  HN          146 GLY  HN          5.50    (#   1709:15  Unique         2.72, 3.45 A)
 &rst
  ixpk= 1709, nxpk= 15, iat=2283,2276, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1711   147 ALA  HN          4.50    (#   1711:15  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 15, iat=  -1,2283, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=2266,2267,2268,2270,2271,2272,2266,2267,2268,2270,
      2271,2272,
 &end
#
#  147 ALA  MB          147 ALA  HN          2.80    (#   1712:15  Unique         2.07, 3.28 A)
 &rst
  ixpk= 1712, nxpk= 15, iat=  -1,2283, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=2287,2288,2289,
 &end
#
#    0 AMB  15-2:1713   147 ALA  HN          2.80    (#   1713:15  Single Ambig)
 &rst
  ixpk= 1713, nxpk= 15, iat=  -1,2283, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=2278,2279,1887,1888,
 &end
#
#  146 GLY  HA+         147 ALA  HN          2.80    (#   1714:15  Unique         2.16, 3.02 A)
 &rst
  ixpk= 1714, nxpk= 15, iat=  -1,2283, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=2278,2279,
 &end
#
#  147 ALA  HA          147 ALA  HN          3.50    (#   1715:15  Unique         2.28, 2.70 A)
 &rst
  ixpk= 1715, nxpk= 15, iat=2285,2283, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLY  HA+         147 ALA  HN          5.50    (#   1716:15  Unique         2.37, 4.68 A)
 &rst
  ixpk= 1716, nxpk= 15, iat=  -1,2283, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1887,1888,
 &end
#
#  146 GLY  HN          147 ALA  HN          4.50    (#   1718:15  Unique         2.72, 3.45 A)
 &rst
  ixpk= 1718, nxpk= 15, iat=2276,2283, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  139 LEU  HG          141 ASN  HD2+        5.50    (#   1719:15  Unique         5.65, 6.47 A)
 &rst
  ixpk= 1719, nxpk= 15, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2205,2206,
 &end
#
#  141 ASN  HB-         141 ASN  HD2+        4.50    (#   1720:15  Unique         2.67, 3.50 A)
 &rst
  ixpk= 1720, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2200,2201,
 igr2=2205,2206,
 &end
#
#  141 ASN  HB+         141 ASN  HD2+        3.50    (#   1721:15  Unique         2.67, 3.50 A)
 &rst
  ixpk= 1721, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=2200,2201,
 igr2=2205,2206,
 &end
#
#  141 ASN  HA          141 ASN  HD2+        2.80    (#   1722:15  Unique         1.92, 2.62 A)
 &rst
  ixpk= 1722, nxpk= 15, iat=2198,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=2205,2206,
 &end
#
#  105 ASN  HA          141 ASN  HD2+        5.50    (#   1723:15  Unique         2.37, 3.34 A)
 &rst
  ixpk= 1723, nxpk= 15, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2205,2206,
 &end
#
#  141 ASN  HN          141 ASN  HD2+        5.50    (#   1725:15  Unique         4.28, 5.01 A)
 &rst
  ixpk= 1725, nxpk= 15, iat=2196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2205,2206,
 &end
#
#  142 LEU  HN          141 ASN  HD2+        4.50    (#   1726:15  Unique         2.68, 3.45 A)
 &rst
  ixpk= 1726, nxpk= 15, iat=2210,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=2205,2206,
 &end
#
#  139 LEU  HG          141 ASN  HD2-        5.50    (#   1727:15  Unique         5.65, 6.47 A)
 &rst
  ixpk= 1727, nxpk= 15, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2205,2206,
 &end
#
#  141 ASN  HB-         141 ASN  HD2-        5.50    (#   1728:15  Unique         2.67, 3.50 A)
 &rst
  ixpk= 1728, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2200,2201,
 igr2=2205,2206,
 &end
#
#  141 ASN  HB+         141 ASN  HD2-        4.50    (#   1729:15  Unique         2.67, 3.50 A)
 &rst
  ixpk= 1729, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2200,2201,
 igr2=2205,2206,
 &end
#
#  104 THR  HB          141 ASN  HD2-        5.50    (#   1730:15  Unique         5.98, 6.31 A)
 &rst
  ixpk= 1730, nxpk= 15, iat=1619,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2205,2206,
 &end
#
#  141 ASN  HA          141 ASN  HD2-        3.50    (#   1731:15  Unique         1.92, 2.62 A)
 &rst
  ixpk= 1731, nxpk= 15, iat=2198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=2205,2206,
 &end
#
#  105 ASN  HD2-        141 ASN  HD2-        5.50    (#   1732:15  Unique         2.01, 3.88 A)
 &rst
  ixpk= 1732, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1638,1639,
 igr2=2205,2206,
 &end
#
#  142 LEU  HN          141 ASN  HD2-        5.50    (#   1733:15  Unique         2.68, 3.45 A)
 &rst
  ixpk= 1733, nxpk= 15, iat=2210,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=2205,2206,
 &end
#
#   68 LEU  MDX          53 TRP  HE1         4.50    (#   1734:15  Unique         4.99, 6.79 A)
 &rst
  ixpk= 1734, nxpk= 15, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   68 LEU  MDY          53 TRP  HE1         4.50    (#   1735:15  Unique         4.99, 6.79 A)
 &rst
  ixpk= 1735, nxpk= 15, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1094,1095,1096,1098,1099,1100,
 &end
#
#   98 MET  ME           53 TRP  HE1         3.50    (#   1736:15  Unique         3.15, 4.08 A)
 &rst
  ixpk= 1736, nxpk= 15, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1537,1538,1539,
 &end
#
#    0 AMB  15-2:1737    53 TRP  HE1         4.50    (#   1737:15  Single Ambig)
 &rst
  ixpk= 1737, nxpk= 15, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1089,1090,1092,1490,1491,1492,
 &end
#
#    0 AMB  15-2:1738    53 TRP  HE1         3.50    (#   1738:15  Single Ambig)
 &rst
  ixpk= 1738, nxpk= 15, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1060,1061,1062,1089,1090,
 &end
#
#   53 TRP  HB+          53 TRP  HE1         7.00    (#   1739:15  Unique         4.83, 5.06 A)
 &rst
  ixpk= 1739, nxpk= 15, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 848, 849,
 &end
#
#   69 SER  HA           53 TRP  HE1         5.50    (#   1740:15  Unique         5.16, 5.39 A)
 &rst
  ixpk= 1740, nxpk= 15, iat=1106, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   53 TRP  HD1          53 TRP  HE1         2.80    (#   1742:15  Unique         2.57, 2.57 A)
 &rst
  ixpk= 1742, nxpk= 15, iat= 852, 854, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 TRP  HZ2          53 TRP  HE1         2.80    (#   1743:15  Unique         2.82, 2.82 A)
 &rst
  ixpk= 1743, nxpk= 15, iat= 857, 854, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 LEU  HN           53 TRP  HE1         5.50    (#   1744:15  Unique         3.90, 4.12 A)
 &rst
  ixpk= 1744, nxpk= 15, iat=1085, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  139 LEU  HG          105 ASN  HD2+        4.50    (#   1745:15  Unique         3.42, 4.74 A)
 &rst
  ixpk= 1745, nxpk= 15, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1638,1639,
 &end
#
#  105 ASN  HB-         105 ASN  HD2+        3.50    (#   1746:15  Unique         2.12, 3.18 A)
 &rst
  ixpk= 1746, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1633,1634,
 igr2=1638,1639,
 &end
#
#  105 ASN  HB+         105 ASN  HD2+        2.80    (#   1747:15  Unique         2.12, 3.18 A)
 &rst
  ixpk= 1747, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1633,1634,
 igr2=1638,1639,
 &end
#
#  105 ASN  HN          105 ASN  HD2+        5.50    (#   1748:15  Unique         3.04, 4.87 A)
 &rst
  ixpk= 1748, nxpk= 15, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1638,1639,
 &end
#
#  141 ASN  HD2-        105 ASN  HD2+        7.00    (#   1750:15  Unique         2.01, 3.88 A)
 &rst
  ixpk= 1750, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=2205,2206,
 igr2=1638,1639,
 &end
#
#  141 ASN  HD2+        105 ASN  HD2+        5.50    (#   1751:15  Unique         2.01, 3.88 A)
 &rst
  ixpk= 1751, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2205,2206,
 igr2=1638,1639,
 &end
#
#  105 ASN  HN          105 ASN  HD2-        5.50    (#   1752:15  Unique         3.04, 4.87 A)
 &rst
  ixpk= 1752, nxpk= 15, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1638,1639,
 &end
#
#  141 ASN  HD2+        105 ASN  HD2-        4.50    (#   1754:15  Unique         2.01, 3.88 A)
 &rst
  ixpk= 1754, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2205,2206,
 igr2=1638,1639,
 &end
#
#  141 ASN  HD2-        105 ASN  HD2-        5.50    (#   1755:15  Unique         2.01, 3.88 A)
 &rst
  ixpk= 1755, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2205,2206,
 igr2=1638,1639,
 &end
#
#  105 ASN  HA          105 ASN  HD2-        5.50    (#   1756:15  Unique         3.16, 4.15 A)
 &rst
  ixpk= 1756, nxpk= 15, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1638,1639,
 &end
#
#  105 ASN  HB+         105 ASN  HD2-        3.50    (#   1758:15  Unique         2.12, 3.18 A)
 &rst
  ixpk= 1758, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1633,1634,
 igr2=1638,1639,
 &end
#
#  105 ASN  HB-         105 ASN  HD2-        4.50    (#   1759:15  Unique         2.12, 3.18 A)
 &rst
  ixpk= 1759, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1633,1634,
 igr2=1638,1639,
 &end
#
#  139 LEU  HG          105 ASN  HD2-        4.50    (#   1760:15  Unique         3.42, 4.74 A)
 &rst
  ixpk= 1760, nxpk= 15, iat=2165,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1638,1639,
 &end
#
#   99 ALA  MB           71 GLN  HE2+        7.00    (#   1761:15  Unique         2.62, 4.78 A)
 &rst
  ixpk= 1761, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1547,1548,1549,
 igr2=1134,1135,
 &end
#
#  101 GLU  HB-          71 GLN  HE2+        5.50    (#   1762:15  Unique         2.59, 4.34 A)
 &rst
  ixpk= 1762, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1571,1572,
 igr2=1134,1135,
 &end
#
#   71 GLN  HB-          71 GLN  HE2+        5.50    (#   1763:15  Unique         2.26, 3.56 A)
 &rst
  ixpk= 1763, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1126,1127,
 igr2=1134,1135,
 &end
#
#   71 GLN  HG+          71 GLN  HE2+        3.50    (#   1765:15  Unique         2.14, 3.36 A)
 &rst
  ixpk= 1765, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1129,1130,
 igr2=1134,1135,
 &end
#
#   71 GLN  HB+          71 GLN  HE2+        4.50    (#   1766:15  Unique         2.26, 3.56 A)
 &rst
  ixpk= 1766, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1126,1127,
 igr2=1134,1135,
 &end
#
#  100 PRO  HD+          71 GLN  HE2+        7.00    (#   1767:15  Unique         3.07, 4.56 A)
 &rst
  ixpk= 1767, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1554,1555,
 igr2=1134,1135,
 &end
#
#   99 ALA  HA           71 GLN  HE2+        5.50    (#   1768:15  Unique         2.94, 4.02 A)
 &rst
  ixpk= 1768, nxpk= 15, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1134,1135,
 &end
#
#   99 ALA  MB           71 GLN  HE2-        7.00    (#   1770:15  Unique         2.62, 4.78 A)
 &rst
  ixpk= 1770, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1547,1548,1549,
 igr2=1134,1135,
 &end
#
#  101 GLU  HB-          71 GLN  HE2-        4.50    (#   1771:15  Unique         2.59, 4.34 A)
 &rst
  ixpk= 1771, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1571,1572,
 igr2=1134,1135,
 &end
#
#    0 AMB  15-2:1772    71 GLN  HE2-        3.50    (#   1772:15  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1129,1130,1571,1572,
 igr2=1134,1135,
 &end
#
#    0 AMB  15-2:1773    71 GLN  HE2-        5.50    (#   1773:15  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1557,1558,1557,1558,
 igr2=1134,1135,
 &end
#
#   71 GLN  HB+          71 GLN  HE2-        5.50    (#   1774:15  Unique         2.26, 3.56 A)
 &rst
  ixpk= 1774, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1126,1127,
 igr2=1134,1135,
 &end
#
#  100 PRO  HD+          71 GLN  HE2-        4.50    (#   1775:15  Unique         3.07, 4.56 A)
 &rst
  ixpk= 1775, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1554,1555,
 igr2=1134,1135,
 &end
#
#  101 GLU  HN           71 GLN  HE2-        5.50    (#   1776:15  Unique         3.06, 3.75 A)
 &rst
  ixpk= 1776, nxpk= 15, iat=1567,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1134,1135,
 &end
#
#   71 GLN  HG+          71 GLN  HE2-        4.50    (#   1777:15  Unique         2.14, 3.36 A)
 &rst
  ixpk= 1777, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1129,1130,
 igr2=1134,1135,
 &end
#
#    0 AMB  15-2:1778     0 AMB  15-1:1778   4.50    (#   1778:15  Double Ambig)
 &rst
  ixpk= 1778, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1= 497, 498, 499, 501, 502, 503,1692,1693,
 igr2=1700,1701,1700,1701,
 &end
#
#  109 GLN  HB+         109 GLN  HE2+        4.50    (#   1779:15  Unique         2.22, 3.44 A)
 &rst
  ixpk= 1779, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1692,1693,
 igr2=1700,1701,
 &end
#
#  109 GLN  HG-         109 GLN  HE2+        3.50    (#   1780:15  Unique         2.15, 3.40 A)
 &rst
  ixpk= 1780, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1695,1696,
 igr2=1700,1701,
 &end
#
#  109 GLN  HG+         109 GLN  HE2+        2.80    (#   1781:15  Unique         2.15, 3.40 A)
 &rst
  ixpk= 1781, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1695,1696,
 igr2=1700,1701,
 &end
#
#   30 PHE  HB-         109 GLN  HE2+        4.50    (#   1782:15  Unique         2.18, 3.47 A)
 &rst
  ixpk= 1782, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 472, 473,
 igr2=1700,1701,
 &end
#
#   30 PHE  HB+         109 GLN  HE2+        4.50    (#   1783:15  Unique         2.18, 3.47 A)
 &rst
  ixpk= 1783, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 472, 473,
 igr2=1700,1701,
 &end
#
#  109 GLN  HA          109 GLN  HE2+        5.50    (#   1784:15  Unique         4.34, 5.16 A)
 &rst
  ixpk= 1784, nxpk= 15, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1700,1701,
 &end
#
#  137 TYR  HD          109 GLN  HE2+        4.50    (#   1785:15  Unique         2.32, 5.22 A)
 &rst
  ixpk= 1785, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2131,2140,
 igr2=1700,1701,
 &end
#
#  109 GLN  HN          109 GLN  HE2+        5.50    (#   1786:15  Unique         4.62, 5.39 A)
 &rst
  ixpk= 1786, nxpk= 15, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1700,1701,
 &end
#
#    0 AMB  15-2:1787   109 GLN  HE2-        7.00    (#   1787:15  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 497, 498, 499, 501, 502, 503,1692,1693,
 igr2=1700,1701,
 &end
#
#  109 GLN  HB+         109 GLN  HE2-        5.50    (#   1788:15  Unique         2.22, 3.44 A)
 &rst
  ixpk= 1788, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1692,1693,
 igr2=1700,1701,
 &end
#
#  109 GLN  HG-         109 GLN  HE2-        4.50    (#   1789:15  Unique         2.15, 3.40 A)
 &rst
  ixpk= 1789, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1695,1696,
 igr2=1700,1701,
 &end
#
#  109 GLN  HG+         109 GLN  HE2-        3.50    (#   1790:15  Unique         2.15, 3.40 A)
 &rst
  ixpk= 1790, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1695,1696,
 igr2=1700,1701,
 &end
#
#   30 PHE  HB-         109 GLN  HE2-        5.50    (#   1791:15  Unique         2.18, 3.47 A)
 &rst
  ixpk= 1791, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 472, 473,
 igr2=1700,1701,
 &end
#
#   30 PHE  HB+         109 GLN  HE2-        3.50    (#   1792:15  Unique         2.18, 3.47 A)
 &rst
  ixpk= 1792, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 472, 473,
 igr2=1700,1701,
 &end
#
#  109 GLN  HA          109 GLN  HE2-        5.50    (#   1793:15  Unique         4.34, 5.16 A)
 &rst
  ixpk= 1793, nxpk= 15, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1700,1701,
 &end
#
#   30 PHE  HA          109 GLN  HE2-        5.50    (#   1794:15  Unique         3.64, 5.01 A)
 &rst
  ixpk= 1794, nxpk= 15, iat= 470,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1700,1701,
 &end
#
#  137 TYR  HD          109 GLN  HE2-        4.50    (#   1796:15  Unique         2.32, 5.22 A)
 &rst
  ixpk= 1796, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2131,2140,
 igr2=1700,1701,
 &end
#
#    0 AMB  15-2:1799   109 GLN  HE2-        4.50    (#   1799:15  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 551, 560, 476, 484,
 igr2=1700,1701,
 &end
#
#   35 TYR  HD          109 GLN  HE2+        4.50    (#   1800:15  Unique         2.35, 6.17 A)
 &rst
  ixpk= 1800, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 551, 560,
 igr2=1700,1701,
 &end
#
#    0 AMB  15-2:1801     0 AMB  15-1:1801   4.50    (#   1801:15  Double Ambig)
 &rst
  ixpk= 1801, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1012,1013,1014,1016,1017,1018,1297,1298,1299,1301,
      1302,1303,
 igr2= 919, 920, 919, 920,
 &end
#
#    0 AMB  15-2:1802     0 AMB  15-1:1802   3.50    (#   1802:15  Double Ambig)
 &rst
  ixpk= 1802, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 979, 980, 979, 980,
 igr2= 919, 920, 919, 920,
 &end
#
#   59 ARG  HB+          57 ASN  HD2+        5.50    (#   1803:15  Unique         1.92, 3.84 A)
 &rst
  ixpk= 1803, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 943, 944,
 igr2= 919, 920,
 &end
#
#   57 ASN  HB-          57 ASN  HD2+        3.50    (#   1804:15  Unique         2.20, 3.36 A)
 &rst
  ixpk= 1804, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 914, 915,
 igr2= 919, 920,
 &end
#
#   57 ASN  HB+          57 ASN  HD2+        3.50    (#   1805:15  Unique         2.20, 3.36 A)
 &rst
  ixpk= 1805, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 914, 915,
 igr2= 919, 920,
 &end
#
#   57 ASN  HA           57 ASN  HD2+        5.50    (#   1806:15  Unique         3.54, 4.50 A)
 &rst
  ixpk= 1806, nxpk= 15, iat= 912,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 919, 920,
 &end
#
#    0 AMB  15-2:1808    57 ASN  HD2-        4.50    (#   1808:15  Single Ambig)
 &rst
  ixpk= 1808, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1012,1013,1014,1016,1017,1018,1297,1298,1299,1301,
      1302,1303,
 igr2= 919, 920,
 &end
#
#    0 AMB  15-2:1809    57 ASN  HD2-        5.50    (#   1809:15  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 946, 947, 946, 947,
 igr2= 919, 920,
 &end
#
#    0 AMB  15-2:1810    57 ASN  HD2-        2.80    (#   1810:15  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 979, 980, 979, 980,
 igr2= 919, 920,
 &end
#
#   59 ARG  HB+          57 ASN  HD2-        4.50    (#   1811:15  Unique         1.92, 3.84 A)
 &rst
  ixpk= 1811, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 919, 920,
 &end
#
#    0 AMB  15-2:1812    57 ASN  HD2-        4.50    (#   1812:15  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 982, 983, 982, 983,
 igr2= 919, 920,
 &end
#
#   57 ASN  HB-          57 ASN  HD2-        3.50    (#   1813:15  Unique         2.20, 3.36 A)
 &rst
  ixpk= 1813, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 914, 915,
 igr2= 919, 920,
 &end
#
#   57 ASN  HB+          57 ASN  HD2-        4.50    (#   1814:15  Unique         2.20, 3.36 A)
 &rst
  ixpk= 1814, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 914, 915,
 igr2= 919, 920,
 &end
#
#   57 ASN  HN           57 ASN  HD2-        4.50    (#   1815:15  Unique         1.88, 2.75 A)
 &rst
  ixpk= 1815, nxpk= 15, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 919, 920,
 &end
#
#   27 THR  MG2         112 GLN  HE2+        5.50    (#   1816:15  Unique         1.95, 4.27 A)
 &rst
  ixpk= 1816, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 431, 432, 433,
 igr2=1746,1747,
 &end
#
#    0 AMB  15-2:1817     0 AMB  15-1:1817   5.50    (#   1817:15  Double Ambig)
 &rst
  ixpk= 1817, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1738,1739,1738,1739,
 igr2=1746,1747,1746,1747,
 &end
#
#  112 GLN  HG-         112 GLN  HE2+        4.50    (#   1818:15  Unique         2.14, 3.40 A)
 &rst
  ixpk= 1818, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1741,1742,
 igr2=1746,1747,
 &end
#
#  112 GLN  HG+         112 GLN  HE2+        2.80    (#   1819:15  Unique         2.14, 3.40 A)
 &rst
  ixpk= 1819, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1741,1742,
 igr2=1746,1747,
 &end
#
#  112 GLN  HA          112 GLN  HE2+        7.00    (#   1820:15  Unique         4.07, 4.98 A)
 &rst
  ixpk= 1820, nxpk= 15, iat=1736,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1746,1747,
 &end
#
#   28 HIS  HA          112 GLN  HE2+        4.50    (#   1822:15  Unique         4.65, 5.19 A)
 &rst
  ixpk= 1822, nxpk= 15, iat= 441,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1746,1747,
 &end
#
#   27 THR  MG2         112 GLN  HE2-        5.50    (#   1824:15  Unique         1.95, 4.27 A)
 &rst
  ixpk= 1824, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 431, 432, 433,
 igr2=1746,1747,
 &end
#
#    0 AMB  15-2:1825   112 GLN  HE2-        5.50    (#   1825:15  Single Ambig)
 &rst
  ixpk= 1825, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1738,1739,1738,1739,
 igr2=1746,1747,
 &end
#
#  112 GLN  HG-         112 GLN  HE2-        5.50    (#   1826:15  Unique         2.14, 3.40 A)
 &rst
  ixpk= 1826, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1741,1742,
 igr2=1746,1747,
 &end
#
#  112 GLN  HG+         112 GLN  HE2-        4.50    (#   1827:15  Unique         2.14, 3.40 A)
 &rst
  ixpk= 1827, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1741,1742,
 igr2=1746,1747,
 &end
#
#    0 AMB  15-2:1829     0 AMB  15-1:1829   3.50    (#   1829:15  Double Ambig)
 &rst
  ixpk= 1829, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 979, 980, 979, 980,
 igr2= 987, 988, 987, 988,
 &end
#
#    0 AMB  15-2:1830     0 AMB  15-1:1830   2.80    (#   1830:15  Double Ambig)
 &rst
  ixpk= 1830, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 982, 983, 982, 983,
 igr2= 987, 988, 987, 988,
 &end
#
#   62 PRO  HA           61 GLN  HE2+        4.50    (#   1831:15  Unique         3.90, 5.22 A)
 &rst
  ixpk= 1831, nxpk= 15, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 987, 988,
 &end
#
#   57 ASN  HD2-         61 GLN  HE2+        5.50    (#   1832:15  Unique         4.65, 5.75 A)
 &rst
  ixpk= 1832, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 919, 920,
 igr2= 987, 988,
 &end
#
#    0 AMB  15-2:1833    61 GLN  HE2-        4.50    (#   1833:15  Single Ambig)
 &rst
  ixpk= 1833, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 979, 980, 979, 980,
 igr2= 987, 988,
 &end
#
#    0 AMB  15-2:1834    61 GLN  HE2-        2.80    (#   1834:15  Single Ambig)
 &rst
  ixpk= 1834, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 982, 983, 982, 983,
 igr2= 987, 988,
 &end
#
#   62 PRO  HA           61 GLN  HE2-        4.50    (#   1835:15  Unique         3.90, 5.22 A)
 &rst
  ixpk= 1835, nxpk= 15, iat=1002,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 987, 988,
 &end
#
#   57 ASN  HD2-         61 GLN  HE2-        4.50    (#   1836:15  Unique         4.65, 5.75 A)
 &rst
  ixpk= 1836, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 919, 920,
 igr2= 987, 988,
 &end
#
#  107 ASN  HA          107 ASN  HD2+        5.50    (#   1837:15  Unique         2.31, 3.50 A)
 &rst
  ixpk= 1837, nxpk= 15, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1668,1669,
 &end
#
#  107 ASN  HB+         107 ASN  HD2+        5.50    (#   1838:15  Unique         2.14, 3.30 A)
 &rst
  ixpk= 1838, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1663,1664,
 igr2=1668,1669,
 &end
#
#    0 AMB  15-2:1839     0 AMB  15-1:1839   3.50    (#   1839:15  Double Ambig)
 &rst
  ixpk= 1839, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=2127,2128,2127,2128,
 igr2=1668,1669,1668,1669,
 &end
#
#    0 AMB  15-2:1840     0 AMB  15-1:1840   5.50    (#   1840:15  Double Ambig)
 &rst
  ixpk= 1840, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 igr2=1668,1669,1668,1669,
 &end
#
#  107 ASN  HA          107 ASN  HD2-        4.50    (#   1841:15  Unique         2.31, 3.50 A)
 &rst
  ixpk= 1841, nxpk= 15, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1668,1669,
 &end
#
#  107 ASN  HB+         107 ASN  HD2-        4.50    (#   1842:15  Unique         2.14, 3.30 A)
 &rst
  ixpk= 1842, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1663,1664,
 igr2=1668,1669,
 &end
#
#    0 AMB  15-2:1843   107 ASN  HD2-        4.50    (#   1843:15  Single Ambig)
 &rst
  ixpk= 1843, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=2127,2128,2127,2128,
 igr2=1668,1669,
 &end
#
#    0 AMB  15-2:1844   107 ASN  HD2-        5.50    (#   1844:15  Single Ambig)
 &rst
  ixpk= 1844, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=2167,2168,2169,2171,2172,2173,2167,2168,2169,2171,
      2172,2173,
 igr2=1668,1669,
 &end
#
#  113 ALA  MB          110 ASN  HD2+        3.50    (#   1847:15  Unique         2.03, 3.14 A)
 &rst
  ixpk= 1847, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1755,1756,1757,
 igr2=1714,1715,
 &end
#
#  110 ASN  HB+         110 ASN  HD2+        5.50    (#   1849:15  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1849, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1709,1710,
 igr2=1714,1715,
 &end
#
#    0 AMB  15-2:1853    79 ASP  HN          2.80    (#   1853:15  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 15, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1240,1241,1242, 304, 305, 306,
 &end
#
#    0 AMB  15-2:1854    79 ASP  HN          4.50    (#   1854:15  Single Ambig)
 &rst
  ixpk= 1854, nxpk= 15, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1244,1245,1362,1363,1364,1366,1367,1368,
 &end
#
#    0 AMB  15-2:1855    79 ASP  HN          3.50    (#   1855:15  Single Ambig)
 &rst
  ixpk= 1855, nxpk= 15, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1= 308, 309,1297,1298,1299,1301,1302,1303,1012,1013,
      1014,1016,1017,1018,
 &end
#
#   78 ILE  HB           79 ASP  HN          3.50    (#   1856:15  Unique         3.49, 3.52 A)
 &rst
  ixpk= 1856, nxpk= 15, iat=1238,1253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 ASP  HB-          79 ASP  HN          2.80    (#   1857:15  Unique         2.07, 2.74 A)
 &rst
  ixpk= 1857, nxpk= 15, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1257,1258,
 &end
#
#   79 ASP  HB+          79 ASP  HN          2.80    (#   1858:15  Unique         2.07, 2.74 A)
 &rst
  ixpk= 1858, nxpk= 15, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1257,1258,
 &end
#
#    0 AMB  15-2:1859    79 ASP  HN          4.50    (#   1859:15  Single Ambig)
 &rst
  ixpk= 1859, nxpk= 15, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1024,1025,1266,1267,
 &end
#
#   63 VAL  HA           79 ASP  HN          4.50    (#   1860:15  Unique         4.00, 4.05 A)
 &rst
  ixpk= 1860, nxpk= 15, iat=1008,1253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 ASP  HA           79 ASP  HN          2.80    (#   1861:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1861, nxpk= 15, iat=1255,1253, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 VAL  MGY           6 ARG  HE          3.50    (#   1862:15  Unique         2.09, 3.38 A)
 &rst
  ixpk= 1862, nxpk= 15, iat=  -1,  99, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#   56 VAL  MGX           6 ARG  HE          4.50    (#   1863:15  Unique         2.09, 3.38 A)
 &rst
  ixpk= 1863, nxpk= 15, iat=  -1,  99, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#    6 ARG  HG-           6 ARG  HE          4.50    (#   1864:15  Unique         2.31, 3.06 A)
 &rst
  ixpk= 1864, nxpk= 15, iat=  -1,  99, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  93,  94,
 &end
#
#    6 ARG  HG+           6 ARG  HE          7.00    (#   1865:15  Unique         2.31, 3.06 A)
 &rst
  ixpk= 1865, nxpk= 15, iat=  -1,  99, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  93,  94,
 &end
#
#    0 AMB  15-2:1866     6 ARG  HE          4.50    (#   1866:15  Single Ambig)
 &rst
  ixpk= 1866, nxpk= 15, iat=  -1,  99, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  90,  91, 999,1000,
 &end
#
#    6 ARG  HB+           6 ARG  HE          7.00    (#   1867:15  Unique         4.16, 4.55 A)
 &rst
  ixpk= 1867, nxpk= 15, iat=  -1,  99, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  90,  91,
 &end
#
#    0 AMB  15-2:1868     6 ARG  HE          2.80    (#   1868:15  Single Ambig)
 &rst
  ixpk= 1868, nxpk= 15, iat=  -1,  99, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  96,  97,  96,  97,
 &end
#
#   22 ARG  HD-          22 ARG  HE          3.50    (#   1875:15  Unique         2.69, 2.79 A)
 &rst
  ixpk= 1875, nxpk= 15, iat=  -1, 365, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 362, 363,
 &end
#
#   22 ARG  HB+          22 ARG  HE          7.00    (#   1876:15  Unique         1.94, 3.20 A)
 &rst
  ixpk= 1876, nxpk= 15, iat=  -1, 365, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 356, 357,
 &end
#
#    0 AMB  15-2:1877    44 ARG  HE          5.50    (#   1877:15  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 278, 279, 280, 282, 283, 284, 278, 279, 280, 282,
       283, 284,
 &end
#
#    0 AMB  15-2:1878    44 ARG  HE          7.00    (#   1878:15  Single Ambig)
 &rst
  ixpk= 1878, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 705, 706, 705, 706,
 &end
#
#    0 AMB  15-2:1879    44 ARG  HE          4.50    (#   1879:15  Single Ambig)
 &rst
  ixpk= 1879, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 702, 703, 702, 703,
 &end
#
#    0 AMB  15-2:1880    44 ARG  HE          4.50    (#   1880:15  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 643, 644, 643, 644,
 &end
#
#    0 AMB  15-2:1881    44 ARG  HE          3.50    (#   1881:15  Single Ambig)
 &rst
  ixpk= 1881, nxpk= 15, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 708, 709, 708, 709,
 &end
#
#    0 AMB  15-2:1884    32 SER  HN          5.50    (#   1884:15  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 568, 569, 532, 533,
 &end
#
#  110 ASN  HB-         110 ASN  HD2+        4.50    (#   1885:15  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1885, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1709,1710,
 igr2=1714,1715,
 &end
#
#   27 THR  MG2          26 ALA  HN          4.50    (#   1890:15  Unique         4.33, 5.51 A)
 &rst
  ixpk= 1890, nxpk= 15, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 431, 432, 433,
 &end
#
#    0 AMB  15-2:1891    26 ALA  HN          3.50    (#   1891:15  Single Ambig)
 &rst
  ixpk= 1891, nxpk= 15, iat=  -1, 415, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 407, 408, 407, 408,
 &end
#
#   23 SER  HA           26 ALA  HN          5.50    (#   1892:15  Unique         3.54, 3.90 A)
 &rst
  ixpk= 1892, nxpk= 15, iat= 378, 415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 ASP  HA           26 ALA  HN          4.50    (#   1893:15  Unique         3.19, 3.44 A)
 &rst
  ixpk= 1893, nxpk= 15, iat= 405, 415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ALA  HA           26 ALA  HN          2.80    (#   1894:15  Unique         2.77, 2.83 A)
 &rst
  ixpk= 1894, nxpk= 15, iat= 417, 415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 ASP  HN           26 ALA  HN          3.50    (#   1895:15  Unique         2.31, 2.57 A)
 &rst
  ixpk= 1895, nxpk= 15, iat= 403, 415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 THR  HN           26 ALA  HN          2.80    (#   1896:15  Unique         1.84, 2.66 A)
 &rst
  ixpk= 1896, nxpk= 15, iat= 425, 415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   28 HIS  HN           26 ALA  HN          5.50    (#   1897:15  Unique         3.99, 5.09 A)
 &rst
  ixpk= 1897, nxpk= 15, iat= 439, 415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ARG  HG+         127 ARG  HE          4.50    (#   1898:15  Unique         2.13, 3.23 A)
 &rst
  ixpk= 1898, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1978,1979,
 &end
#
#  127 ARG  HB+         127 ARG  HE          7.00    (#   1899:15  Unique         2.52, 3.59 A)
 &rst
  ixpk= 1899, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1975,1976,
 &end
#
#  127 ARG  HD-         127 ARG  HE          3.50    (#   1900:15  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1900, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1981,1982,
 &end
#
#  127 ARG  HD+         127 ARG  HE          3.50    (#   1901:15  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1901, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1981,1982,
 &end
#
#  127 ARG  HG-         127 ARG  HE          4.50    (#   1905:15  Unique         2.13, 3.23 A)
 &rst
  ixpk= 1905, nxpk= 15, iat=  -1,1984, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1978,1979,
 &end
#
#    0 AMB  15-2:1906    36 ARG  HE          5.50    (#   1906:15  Single Ambig)
 &rst
  ixpk= 1906, nxpk= 15, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 571, 572, 571, 572,
 &end
#
#   36 ARG  HD-          36 ARG  HE          4.50    (#   1907:15  Unique         2.27, 2.64 A)
 &rst
  ixpk= 1907, nxpk= 15, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 574, 575,
 &end
#
#   36 ARG  HD+          36 ARG  HE          5.50    (#   1908:15  Unique         2.27, 2.64 A)
 &rst
  ixpk= 1908, nxpk= 15, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 574, 575,
 &end
#
#   76 LEU  HB-          76 LEU  HN          5.50    (#   1915:15  Unique         2.61, 2.96 A)
 &rst
  ixpk= 1915, nxpk= 15, iat=  -1,1195, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1199,1200,
 &end
#
#    0 AMB  15-2:1916    78 ILE  HN          3.50    (#   1916:15  Single Ambig)
 &rst
  ixpk= 1916, nxpk= 15, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1216,1236,
 &end
#
#   28 HIS  HB-          28 HIS  HN          5.50    (#   1918:15  Unique         2.48, 3.41 A)
 &rst
  ixpk= 1918, nxpk= 15, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 443, 444,
 &end
#
#   28 HIS  HA           28 HIS  HN          5.50    (#   1919:15  Unique         2.28, 2.81 A)
 &rst
  ixpk= 1919, nxpk= 15, iat= 441, 439, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1920    30 PHE  HN          5.50    (#   1920:15  Single Ambig)
 &rst
  ixpk= 1920, nxpk= 15, iat=  -1, 468, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 497, 498, 499, 501, 502, 503,1692,1693,
 &end
#
#   19 ILE  MG2          65 PHE  HN          3.50    (#    701:15  Unique)
 &rst
  ixpk= 701, nxpk= 15, iat=  -1,1029, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 304, 305, 306,
 &end
#
#   54 VAL  MGY          66 MET  HN          5.50    (#    720:15  Unique)
 &rst
  ixpk= 720, nxpk= 15, iat=  -1,1049, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  HA           66 MET  HN          4.00    (#    726:15  Unique)
 &rst
  ixpk= 726, nxpk= 15, iat= 870,1049, r1= 0.00, r2= 1.80, r3= 4.00, r4= 4.75,  &end
#
#   31 LEU  MDX          32 SER  HN          4.50    (#    303:15  Unique)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 497, 498, 499, 501, 502, 503,
 &end
#
#   11 GLU  HB+          13 GLY  HN          5.00    (#    118:15)
 &rst
  ixpk= 118, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
 igr1= 190, 191,
 &end
#
#   11 GLU  HB-          13 GLY  HN          5.00    (#    118:15)
 &rst
  ixpk= 118, nxpk= 15, iat=  -1, 216, r1= 0.00, r2= 1.80, r3= 5.61, r4= 6.36,
 igr1= 190, 191,
 &end
#
#   90 VAL  MGY          89 ARG  HN          4.00    (#    144:15  Unique)
 &rst
  ixpk= 144, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1409,1410,1411,1413,1414,1415,
 &end
#
#   18 ALA  MB           15 GLU  HN          5.50    (#    145:15)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 238, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 292, 293, 294,
 &end
#
#   18 ALA  MB           20 TRP  HN          5.50    (#    145:15)
 &rst
  ixpk= 145, nxpk= 15, iat=  -1, 317, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 292, 293, 294,
 &end
#
#   89 ARG  HG+          89 ARG  HN          4.50    (#    156:15  Unique)
 &rst
  ixpk= 156, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1386,1387,
 &end
#
#   56 VAL  MGX          61 GLN  HN          3.50    (#    219:15  Unique)
 &rst
  ixpk= 219, nxpk= 15, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 900, 901, 902, 904, 905, 906,
 &end
#
#  119 LYS  HG+         119 LYS  HN          3.50    (#   1365:15  Unique)
 &rst
  ixpk= 1365, nxpk= 15, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1854,1855,
 &end
#
#  105 ASN  HD2-        141 ASN  QD2         5.50    (#   1724:15  Unique)
 &rst
  ixpk= 1724, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1638,1639,
 igr2=2205,2206,
 &end
#
#   71 GLN  HG-          71 GLN  HE2+        3.50    (#   1764:15  Unique)
 &rst
  ixpk= 1764, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1129,1130,
 igr2=1134,1135,
 &end
#
#  130 VAL  MGY         129 GLU  HB-         3.50    (#   1189:25  Unique)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=2027,2028,2029,2031,2032,2033,
 igr2=2010,2011,
 &end
#
#   56 VAL  HN           55 ALA  MB          3.50    (#    582:25  Unique)
 &rst
  ixpk= 582, nxpk= 25, iat= 894,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 888, 889, 890,
 &end
#
#   65 PHE  HD           52 LEU  MDX         3.50    (#    498:25  Unique)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1037,1045,
 igr2= 834, 835, 836, 838, 839, 840,
 &end
#
#   54 VAL  MGY          65 PHE  HA          3.50    (#   2231:25  Unique          )
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   54 VAL  MGY          65 PHE  HB+         3.50    (#   2421:25  Unique)
 &rst
  ixpk= 2421, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 874, 875, 876, 878, 879, 880,
 igr2=1033,1034,
 &end
#
#   54 VAL  MGX          65 PHE  HA          4.50    (#   2232:25)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 874, 875, 876, 878, 879, 880,
 &end
#
#   91 LEU  MDX          65 PHE  HA          5.50    (#   2232:25)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,1031, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1428,1429,1430,1432,1433,1434,
 &end
#
#   49 GLU  HN           46 PHE  HB+         6.00    (#   2693:25  Unique)
 &rst
  ixpk= 2693, nxpk= 25, iat= 786,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 737, 738,
 &end
#
#   49 GLU  HN           47 LEU  HA          4.50    (#   3084:25  Unique         )
 &rst
  ixpk= 3084, nxpk= 25, iat= 786, 755, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 LEU  HB-          66 MET  HB+         4.50    (#   3912:25  Unique)
 &rst
  ixpk= 3912, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1423,1424,
 igr2=1053,1054,
 &end
#
#   95 ALA  MB           66 MET  HG+         3.50    (#   1084:25   Unique          )
 &rst
  ixpk= 1084, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1490,1491,1492,
 igr2=1056,1057,
 &end
#
#   95 ALA  MB           66 MET  HG-         3.50    (#   1091:25   Unique          )
 &rst
  ixpk= 1091, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1490,1491,1492,
 igr2=1056,1057,
 &end
#
#   66 MET  ME           66 MET  HG-         3.50    (#   1090:25   Unique           )
 &rst
  ixpk= 1090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1060,1061,1062,
 igr2=1056,1057,
 &end
#
#   19 ILE  MD1          19 ILE  HB          2.80    (#    938:25   Unique           )
 &rst
  ixpk= 938, nxpk= 25, iat=  -1, 302, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 311, 312, 313,
 &end
#
#  138 PRO  HD+         137 TYR  HB+         4.50    (#    907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2145,2146,
 igr2=2127,2128,
 &end
#
#  138 PRO  HD+         137 TYR  HB-         4.50    (#    907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=2145,2146,
 igr2=2127,2128,
 &end
#
#  131 ASP  HB+         137 TYR  HB+         5.50    (#    907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2041,2042,
 igr2=2127,2128,
 &end
#
#  131 ASP  HB-         137 TYR  HB+         5.50    (#    907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2041,2042,
 igr2=2127,2128,
 &end
#
#  131 ASP  HB+         137 TYR  HB-         5.50    (#    907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2041,2042,
 igr2=2127,2128,
 &end
#
#  131 ASP  HB-         137 TYR  HB-         5.50    (#    907:25)
 &rst
  ixpk= 907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=2041,2042,
 igr2=2127,2128,
 &end
#
#  106 VAL  MGX         105 ASN  HA          4.50    (#    212:25  Unique)
 &rst
  ixpk= 212, nxpk= 25, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1649,1650,1651,1653,1654,1655,
 &end
#
#  102 LEU  HB-         144 TYR  HB-         4.50    (#   3371:25  Unique)
 &rst
  ixpk= 3371, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1586,1587,
 igr2=2243,2244,
 &end



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