NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
480579 |
2p0p   |
7381 | cing | 1-original | 4 | AMBER | distance | NOE | simple |
# 44 PHE HN 43 PRO HA 3.00 (# 0:20 Unique 2.24, 2.28 A)
&rst
ixpk= 0, nxpk= 20, iat= 706, 702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 76 LYS HN 74 CYS HA 4.00 (# 1:20 Unique 3.07, 3.24 A)
&rst
ixpk= 1, nxpk= 20, iat=1226,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HN 74 CYS HA 4.00 (# 2:20 Unique 2.98, 3.66 A)
&rst
ixpk= 2, nxpk= 20, iat=1248,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 LEU HN 74 CYS HA 3.20 (# 3:20 Unique 2.27, 2.44 A)
&rst
ixpk= 3, nxpk= 20, iat=1207,1198, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 74 CYS HN 74 CYS HA 3.50 (# 5:20 Unique 2.81, 2.86 A)
&rst
ixpk= 5, nxpk= 20, iat=1196,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 ASP HA 63 VAL HA 3.50 (# 6:20 Unique 2.51, 2.86 A)
&rst
ixpk= 6, nxpk= 20, iat=1357,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 VAL HN 63 VAL HA 3.50 (# 7:20 Unique 2.91, 2.93 A)
&rst
ixpk= 7, nxpk= 20, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 GLU HN 63 VAL HA 3.00 (# 8:20 Unique 2.33, 2.47 A)
&rst
ixpk= 8, nxpk= 20, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 ILE HN 63 VAL HA 3.00 (# 9:20 Unique 1.95, 2.11 A)
&rst
ixpk= 9, nxpk= 20, iat=1367,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HN 100 ILE HA 3.50 (# 11:20 Unique 2.91, 2.92 A)
&rst
ixpk= 11, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 GLU HN 100 ILE HA 3.00 (# 12:20 Unique 2.35, 2.37 A)
&rst
ixpk= 12, nxpk= 20, iat=1602,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 48 TRP HA 100 ILE HA 3.00 (# 13:20 Unique 1.83, 1.87 A)
&rst
ixpk= 13, nxpk= 20, iat= 774,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 ALA HN 82 VAL HA 3.00 (# 14:20 Unique 2.26, 2.42 A)
&rst
ixpk= 14, nxpk= 20, iat=1345,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 LEU HN 82 VAL HA 3.50 (# 15:20 Unique 2.34, 3.09 A)
&rst
ixpk= 15, nxpk= 20, iat=1090,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 TYR HN 79 TYR HA 3.50 (# 16:20 Unique 2.91, 2.92 A)
&rst
ixpk= 16, nxpk= 20, iat=1277,1279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL HN 79 TYR HA 3.00 (# 17:20 Unique 2.28, 2.46 A)
&rst
ixpk= 17, nxpk= 20, iat=1298,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 LEU HN 79 TYR HA 4.00 (# 18:20 Unique 3.04, 3.72 A)
&rst
ixpk= 18, nxpk= 20, iat=1541,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 TYR HE 79 TYR HA 6.00 (# 19:20 Unique 4.87, 5.55 A)
&rst
ixpk= 19, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1287,1292,
&end
#
# 79 TYR HN 79 TYR HA 4.00 (# 20:20 Unique 2.91, 2.92 A)
&rst
ixpk= 20, nxpk= 20, iat=1277,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HD- 44 PHE HA 4.50 (# 22:20 Unique 3.82, 4.15 A)
&rst
ixpk= 22, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 722,
&end
#
# 45 MET HN 44 PHE HA 2.80 (# 23:20 Unique 2.15, 2.18 A)
&rst
ixpk= 23, nxpk= 20, iat= 726, 708, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 PHE HN 44 PHE HA 3.50 (# 24:20 Unique 2.86, 2.87 A)
&rst
ixpk= 24, nxpk= 20, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 PHE HD+ 44 PHE HA 4.50 (# 25:20 Unique 3.82, 4.15 A)
&rst
ixpk= 25, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 722,
&end
#
# 48 TRP HE1 99 ASP HA 5.50 (# 26:20 Unique 5.05, 5.13 A)
&rst
ixpk= 26, nxpk= 20, iat= 782,1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:28 99 ASP HA 3.00 (# 28:20 Single 0.00, 0.00 )
&rst
ixpk= 28, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1583,1571,
&end
#
# 0 AMB 20-2:29 0 AMB 20-1:29 4.00 (# 29:20 Double 0.00, 0.00 )
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1007, 796,
igr2= 752,1573,
&end
#
# 47 LYS HN 47 LYS HA 3.50 (# 30:20 Unique 2.84, 2.91 A)
&rst
ixpk= 30, nxpk= 20, iat= 750, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TRP HN 47 LYS HA 2.80 (# 31:20 Unique 2.16, 2.17 A)
&rst
ixpk= 31, nxpk= 20, iat= 772, 752, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 VAL HN 47 LYS HA 4.00 (# 32:20 Unique 3.43, 3.72 A)
&rst
ixpk= 32, nxpk= 20, iat=1043, 752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 48 TRP HA 0 AMB 20-1:33 5.00 (# 33:20 Single 0.00, 0.00 )
&rst
ixpk= 33, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 752,1573,
&end
#
# 49 LYS HN 48 TRP HA 2.80 (# 34:20 Unique 2.20, 2.21 A)
&rst
ixpk= 34, nxpk= 20, iat= 796, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HD+ 48 TRP HA 3.50 (# 35:20 Unique 2.56, 2.74 A)
&rst
ixpk= 35, nxpk= 20, iat= 780, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 VAL HN 45 MET HA 3.00 (# 37:20 Unique 2.38, 2.58 A)
&rst
ixpk= 37, nxpk= 20, iat=1074, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 MET HN 45 MET HA 3.50 (# 38:20 Unique 2.87, 2.88 A)
&rst
ixpk= 38, nxpk= 20, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 GLY HN 45 MET HA 2.80 (# 39:20 Unique 2.18, 2.24 A)
&rst
ixpk= 39, nxpk= 20, iat= 743, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HN 48 TRP HA 3.50 (# 40:20 Unique 2.84, 2.85 A)
&rst
ixpk= 40, nxpk= 20, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ILE HA 48 TRP HA 3.50 (# 42:20 Unique 1.83, 1.87 A)
&rst
ixpk= 42, nxpk= 20, iat=1585, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 LYS HN 46 GLY HA- 3.00 (# 43:20 Unique 2.15, 2.59 A)
&rst
ixpk= 43, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 745, 746,
&end
#
# 103 ILE HN 46 GLY HA- 3.50 (# 44:20 Unique 1.97, 2.89 A)
&rst
ixpk= 44, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 746,
&end
#
# 42 PHE HB- 43 PRO HA 4.00 (# 46:20 Unique 2.60, 3.40 A)
&rst
ixpk= 46, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 676, 677,
&end
#
# 42 PHE HB+ 43 PRO HA 4.00 (# 47:20 Unique 2.60, 3.40 A)
&rst
ixpk= 47, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 676, 677,
&end
#
# 43 PRO HB+ 43 PRO HA 3.00 (# 48:20 Unique 2.30, 2.51 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 699, 700,
&end
#
# 43 PRO HB- 43 PRO HA 3.00 (# 49:20 Unique 2.30, 2.51 A)
&rst
ixpk= 49, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 699, 700,
&end
#
# 0 AMB 20-2:50 43 PRO HA 4.50 (# 50:20 Single 0.00, 0.00 )
&rst
ixpk= 50, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 696, 697, 696, 697,
&end
#
# 94 THR MG2 94 THR HA 3.00 (# 51:20 Unique 2.02, 2.85 A)
&rst
ixpk= 51, nxpk= 20, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1501,1502,1503,
&end
#
# 95 ALA MB 94 THR HA 4.50 (# 52:20 Unique 4.39, 5.02 A)
&rst
ixpk= 52, nxpk= 20, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1513,1514,1515,
&end
#
# 94 THR HB 94 THR HA 3.50 (# 53:20 Unique 2.92, 2.96 A)
&rst
ixpk= 53, nxpk= 20, iat=1499,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 CYS HB+ 74 CYS HA 3.60 (# 54:20 Unique 2.38, 2.57 A)
&rst
ixpk= 54, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1200,1201,
&end
#
# 0 AMB 20-2:55 74 CYS HA 5.60 (# 55:20 Single 0.00, 0.00 )
&rst
ixpk= 55, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1271,1272,1273,1185,1186,
&end
#
# 74 CYS HB- 74 CYS HA 3.60 (# 56:20 Unique 2.38, 2.57 A)
&rst
ixpk= 56, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1200,1201,
&end
#
# 63 VAL HB 63 VAL HA 3.00 (# 57:20 Unique 2.35, 2.51 A)
&rst
ixpk= 57, nxpk= 20, iat=1047,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 ILE HG1+ 63 VAL HA 3.50 (# 58:20 Unique 1.94, 2.84 A)
&rst
ixpk= 58, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1377,1378,
&end
#
# 63 VAL MGX 63 VAL HA 4.00 (# 59:20 Unique 1.97, 3.45 A)
&rst
ixpk= 59, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 47 LYS HD+ 63 VAL HA 6.50 (# 60:20 Unique 6.55, 7.07 A)
&rst
ixpk= 60, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 760, 761,
&end
#
# 63 VAL MGY 63 VAL HA 3.00 (# 61:20 Unique 1.97, 3.45 A)
&rst
ixpk= 61, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 100 ILE HG1- 100 ILE HA 3.00 (# 62:20 Unique 1.95, 2.62 A)
&rst
ixpk= 62, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 100 ILE HB 100 ILE HA 3.50 (# 63:20 Unique 2.59, 2.73 A)
&rst
ixpk= 63, nxpk= 20, iat=1587,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ILE QG2 100 ILE HA 3.00 (# 64:20 Unique 3.35, 3.78 A)
&rst
ixpk= 64, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1589,1590,1591,
&end
#
# 100 ILE QD1 100 ILE HA 4.00 (# 65:20 Unique 2.34, 3.97 A)
&rst
ixpk= 65, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1596,1597,1598,
&end
#
# 100 ILE HG1- 100 ILE HA 3.00 (# 66:20 Unique 1.95, 2.62 A)
&rst
ixpk= 66, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 82 VAL MGX 82 VAL HA 4.00 (# 67:20 Unique 2.16, 3.41 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 65 VAL HA 82 VAL HA 3.00 (# 68:20 Unique 2.01, 2.51 A)
&rst
ixpk= 68, nxpk= 20, iat=1076,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:69 82 VAL HA 4.50 (# 69:20 Single 0.00, 0.00 )
&rst
ixpk= 69, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1047,1066,1067,1302,
&end
#
# 82 VAL MGY 82 VAL HA 3.00 (# 70:20 Unique 2.16, 3.41 A)
&rst
ixpk= 70, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HB 82 VAL HA 3.00 (# 71:20 Unique 2.36, 2.57 A)
&rst
ixpk= 71, nxpk= 20, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 ALA MB 82 VAL HA 4.00 (# 72:20 Unique 4.20, 4.84 A)
&rst
ixpk= 72, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1349,1350,1351,
&end
#
# 0 AMB 20-2:73 82 VAL HA 4.00 (# 73:20 Single 0.00, 0.00 )
&rst
ixpk= 73, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,
&end
#
# 0 AMB 20-2:74 79 TYR HA 6.00 (# 74:20 Single 0.00, 0.00 )
&rst
ixpk= 74, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1499,1521,
&end
#
# 94 THR MG2 79 TYR HA 6.00 (# 75:20 Unique 4.23, 5.61 A)
&rst
ixpk= 75, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1501,1502,1503,
&end
#
# 79 TYR HB+ 79 TYR HA 3.00 (# 76:20 Unique 2.28, 2.68 A)
&rst
ixpk= 76, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1281,1282,
&end
#
# 80 VAL MGX 79 TYR HA 4.00 (# 77:20 Unique 3.08, 4.69 A)
&rst
ixpk= 77, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 45 MET HB- 44 PHE HA 5.00 (# 80:20 Unique 4.14, 4.83 A)
&rst
ixpk= 80, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 730, 731,
&end
#
# 0 AMB 20-2:81 44 PHE HA 3.00 (# 81:20 Single 0.00, 0.00 )
&rst
ixpk= 81, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 710, 711, 710, 711,
&end
#
# 0 AMB 20-2:82 44 PHE HA 5.50 (# 82:20 Single 0.00, 0.00 )
&rst
ixpk= 82, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 730, 731, 696, 697,
&end
#
# 0 AMB 20-2:83 44 PHE HA 4.40 (# 83:20 Single 0.00, 0.00 )
&rst
ixpk= 83, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1664,1665,1666,1668,1669,1670,1099,1100,1101,1103,
1104,1105,
&end
#
# 99 ASP HB+ 99 ASP HA 3.00 (# 84:20 Unique 2.62, 2.82 A)
&rst
ixpk= 84, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1575,1576,
&end
#
# 99 ASP HB- 99 ASP HA 3.00 (# 85:20 Unique 2.62, 2.82 A)
&rst
ixpk= 85, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1575,1576,
&end
#
# 0 AMB 20-2:86 47 LYS HA 3.00 (# 86:20 Single 0.00, 0.00 )
&rst
ixpk= 86, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,1593,1594,
&end
#
# 47 LYS HB- 47 LYS HA 3.00 (# 87:20 Unique 2.73, 2.85 A)
&rst
ixpk= 87, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 754, 755,
&end
#
# 0 AMB 20-2:88 47 LYS HA 5.00 (# 88:20 Single 0.00, 0.00 )
&rst
ixpk= 88, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746, 776, 777,
&end
#
# 62 THR MG2 47 LYS HA 5.50 (# 89:20 Unique 4.37, 5.17 A)
&rst
ixpk= 89, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1035,1036,1037,
&end
#
# 63 VAL MGX 47 LYS HA 6.00 (# 90:20 Unique 3.96, 5.77 A)
&rst
ixpk= 90, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 100 ILE QD1 48 TRP HA 4.00 (# 91:20 Unique 1.89, 3.83 A)
&rst
ixpk= 91, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1596,1597,1598,
&end
#
# 48 TRP HB- 48 TRP HA 3.00 (# 92:20 Unique 2.51, 2.78 A)
&rst
ixpk= 92, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 776, 777,
&end
#
# 45 MET HB- 45 MET HA 3.00 (# 93:20 Unique 2.23, 2.49 A)
&rst
ixpk= 93, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 730, 731,
&end
#
# 0 AMB 20-2:94 45 MET HA 3.00 (# 94:20 Single 0.00, 0.00 )
&rst
ixpk= 94, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 730, 731, 737, 738, 739,
&end
#
# 0 AMB 20-2:95 45 MET HA 4.00 (# 95:20 Single 0.00, 0.00 )
&rst
ixpk= 95, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1078,1640,1641,1642,
&end
#
# 45 MET HG- 45 MET HA 4.00 (# 96:20 Unique 3.26, 3.77 A)
&rst
ixpk= 96, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 733, 734,
&end
#
# 0 AMB 20-2:97 45 MET HA 4.60 (# 97:20 Single 0.00, 0.00 )
&rst
ixpk= 97, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
&end
#
# 100 ILE QG2 48 TRP HA 5.00 (# 100:20 Unique 4.56, 5.15 A)
&rst
ixpk= 100, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1589,1590,1591,
&end
#
# 63 VAL MGX 48 TRP HA 6.00 (# 101:20 Unique 4.27, 6.02 A)
&rst
ixpk= 101, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 48 TRP HB+ 48 TRP HA 5.00 (# 102:20 Unique 2.51, 2.78 A)
&rst
ixpk= 102, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 776, 777,
&end
#
# 100 ILE HG1- 48 TRP HA 6.00 (# 103:20 Unique 1.84, 2.79 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1593,1594,
&end
#
# 84 ASP HB+ 83 ALA HA 6.00 (# 105:20 Unique 4.35, 4.97 A)
&rst
ixpk= 105, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1359,1360,
&end
#
# 0 AMB 20-2:106 83 ALA HA 5.00 (# 106:20 Single 0.00, 0.00 )
&rst
ixpk= 106, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,1450,1451,
&end
#
# 83 ALA MB 83 ALA HA 3.00 (# 108:20 Unique 2.29, 2.63 A)
&rst
ixpk= 108, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1349,1350,1351,
&end
#
# 0 AMB 20-2:109 83 ALA HA 3.00 (# 109:20 Single 0.00, 0.00 )
&rst
ixpk= 109, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 0 AMB 20-2:111 46 GLY HA- 5.00 (# 111:20 Single 0.00, 0.00 )
&rst
ixpk= 111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
igr2= 745, 746,
&end
#
# 45 MET ME 46 GLY HA- 4.50 (# 113:20 Unique 2.34, 3.92 A)
&rst
ixpk= 113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 737, 738, 739,
igr2= 745, 746,
&end
#
# 100 ILE QG2 46 GLY HA- 3.00 (# 114:20 Unique 2.36, 4.37 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1589,1590,1591,
igr2= 745, 746,
&end
#
# 103 ILE HB 46 GLY HA- 4.80 (# 115:20 Unique 2.38, 3.85 A)
&rst
ixpk= 115, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 745, 746,
&end
#
# 0 AMB 20-2:118 57 THR HB 3.50 (# 118:20 Single 0.00, 0.00 )
&rst
ixpk= 118, nxpk= 20, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 950, 951, 952, 925, 926, 927,
&end
#
# 55 THR MG2 55 THR HB 3.50 (# 119:20 Unique 2.24, 2.64 A)
&rst
ixpk= 119, nxpk= 20, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 925, 926, 927,
&end
#
# 94 THR MG2 94 THR HB 3.00 (# 121:20 Unique 2.23, 2.64 A)
&rst
ixpk= 121, nxpk= 20, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1501,1502,1503,
&end
#
# 39 THR MG2 39 THR HB 3.00 (# 122:20 Unique 2.26, 2.64 A)
&rst
ixpk= 122, nxpk= 20, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 630, 631, 632,
&end
#
# 0 AMB 20-2:123 62 THR HB 3.00 (# 123:20 Single 0.00, 0.00 )
&rst
ixpk= 123, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1377,1378,1035,1036,1037,
&end
#
# 0 AMB 20-2:124 62 THR HB 5.50 (# 124:20 Single 0.00, 0.00 )
&rst
ixpk= 124, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1373,1374,1375,1633,1634,1635,
&end
#
# 9 THR MG2 9 THR HB 3.00 (# 125:20 Unique 2.24, 2.64 A)
&rst
ixpk= 125, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 130, 131, 132,
&end
#
# 9 THR HA 9 THR HB 3.00 (# 126:20 Unique 2.57, 2.63 A)
&rst
ixpk= 126, nxpk= 20, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 ALA MB 109 THR HA 4.50 (# 128:20 Unique 2.69, 3.81 A)
&rst
ixpk= 128, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1760,1761,1762,
&end
#
# 40 LEU MDY 109 THR HA 3.00 (# 129:20 Unique 1.91, 4.31 A)
&rst
ixpk= 129, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 109 THR MG2 109 THR HA 4.00 (# 130:20 Unique 2.47, 3.20 A)
&rst
ixpk= 130, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1716,1717,1718,
&end
#
# 113 ILE HG1+ 113 ILE HA 3.50 (# 131:20 Unique 2.16, 2.73 A)
&rst
ixpk= 131, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1776,1777,
&end
#
# 113 ILE HB 113 ILE HA 3.50 (# 132:20 Unique 3.01, 3.01 A)
&rst
ixpk= 132, nxpk= 20, iat=1770,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:133 113 ILE HA 3.00 (# 133:20 Single 0.00, 0.00 )
&rst
ixpk= 133, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1772,1773,1774,1545,1546,
&end
#
# 113 ILE HG1- 113 ILE HA 3.00 (# 134:20 Unique 2.16, 2.73 A)
&rst
ixpk= 134, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1776,1777,
&end
#
# 9 THR HB 9 THR HA 3.00 (# 135:20 Unique 2.57, 2.63 A)
&rst
ixpk= 135, nxpk= 20, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 HIS HB+ 9 THR HA 5.50 (# 136:20 Unique 4.30, 5.31 A)
&rst
ixpk= 136, nxpk= 20, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 181, 182,
&end
#
# 13 ARG HG+ 9 THR HA 3.80 (# 137:20 Unique 1.92, 2.61 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 201, 202,
&end
#
# 14 ILE QG2 14 ILE HA 4.00 (# 138:20 Unique 2.75, 3.65 A)
&rst
ixpk= 138, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 224, 225, 226,
&end
#
# 18 ILE QD1 14 ILE HA 4.50 (# 139:20 Unique 2.63, 3.83 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 296,
&end
#
# 39 THR MG2 39 THR HA 3.00 (# 140:20 Unique 2.44, 3.23 A)
&rst
ixpk= 140, nxpk= 20, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 630, 631, 632,
&end
#
# 18 ILE HG1+ 18 ILE HA 3.50 (# 141:20 Unique 2.37, 2.75 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 291, 292,
&end
#
# 18 ILE HB 18 ILE HA 3.50 (# 142:20 Unique 3.00, 3.01 A)
&rst
ixpk= 142, nxpk= 20, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 ILE QG2 18 ILE HA 3.80 (# 143:20 Unique 2.36, 3.20 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 287, 288, 289,
&end
#
# 70 PRO HB+ 70 PRO HA 3.00 (# 146:20 Unique 2.30, 2.51 A)
&rst
ixpk= 146, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1150,1151,
&end
#
# 0 AMB 20-2:147 70 PRO HA 4.00 (# 147:20 Single 0.00, 0.00 )
&rst
ixpk= 147, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1147,1148,1185,1186,
&end
#
# 56 SER HA 52 SER HB+ 7.50 (# 148:20 Unique 3.12, 4.62 A)
&rst
ixpk= 148, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,
igr2= 866, 867,
&end
#
# 0 AMB 20-2:149 0 AMB 20-1:149 7.50 (# 149:20 Double 0.00, 0.00 )
&rst
ixpk= 149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.74, r4=13.24,
igr1= 925, 926, 927, 950, 951, 952,
igr2= 866, 867, 866, 867,
&end
#
# 52 SER HA 52 SER HB+ 4.00 (# 150:20 Unique 2.34, 2.76 A)
&rst
ixpk= 150, nxpk= 20, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 866, 867,
&end
#
# 3 SER HA 3 SER HB+ 3.00 (# 153:20 Unique 2.32, 2.62 A)
&rst
ixpk= 153, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 35, 36,
&end
#
# 70 PRO HB- 70 PRO HA 3.00 (# 154:20 Unique 2.30, 2.51 A)
&rst
ixpk= 154, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1150,1151,
&end
#
# 70 PRO HG+ 70 PRO HA 4.50 (# 155:20 Unique 3.85, 3.94 A)
&rst
ixpk= 155, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1147,1148,
&end
#
# 0 AMB 20-2:156 16 THR HA 6.00 (# 156:20 Single 0.00, 0.00 )
&rst
ixpk= 156, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 20 VAL HB 16 THR HA 5.30 (# 157:20 Unique 3.88, 4.71 A)
&rst
ixpk= 157, nxpk= 20, iat= 323, 254, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 THR MG2 16 THR HA 4.00 (# 158:20 Unique 2.53, 3.25 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 258, 259, 260,
&end
#
# 56 SER HA 56 SER HB- 3.50 (# 159:20 Unique 2.27, 2.73 A)
&rst
ixpk= 159, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 56 SER HA 56 SER HB+ 3.50 (# 160:20 Unique 2.27, 2.73 A)
&rst
ixpk= 160, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 33 TYR HB+ 33 TYR HA 3.00 (# 161:20 Unique 2.32, 2.69 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 522, 523,
&end
#
# 78 MET ME 33 TYR HA 4.50 (# 162:20 Unique 2.99, 3.96 A)
&rst
ixpk= 162, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1271,1272,1273,
&end
#
# 33 TYR HB- 33 TYR HA 3.00 (# 163:20 Unique 2.32, 2.69 A)
&rst
ixpk= 163, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 522, 523,
&end
#
# 68 MET ME 33 TYR HA 4.00 (# 164:20 Unique 2.33, 3.62 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1127,1128,1129,
&end
#
# 20 VAL HB 20 VAL HA 4.00 (# 166:20 Unique 2.68, 2.99 A)
&rst
ixpk= 166, nxpk= 20, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:167 20 VAL HA 4.00 (# 167:20 Single 0.00, 0.00 )
&rst
ixpk= 167, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 0 AMB 20-2:171 0 AMB 20-1:171 4.00 (# 171:20 Double 0.00, 0.00 )
&rst
ixpk= 171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
1309,1310,
igr2=1564,1565,1564,1565,
&end
#
# 65 VAL MGY 65 VAL HA 3.00 (# 172:20 Unique 2.18, 3.16 A)
&rst
ixpk= 172, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:173 65 VAL HA 3.00 (# 173:20 Single 0.00, 0.00 )
&rst
ixpk= 173, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
1085,1086,
&end
#
# 34 TYR HB- 34 TYR HA 3.50 (# 175:20 Unique 2.64, 2.82 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 543, 544,
&end
#
# 0 AMB 20-2:176 34 TYR HA 4.00 (# 176:20 Single 0.00, 0.00 )
&rst
ixpk= 176, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 604, 605, 616, 617,
&end
#
# 34 TYR HB+ 34 TYR HA 3.00 (# 177:20 Unique 2.64, 2.82 A)
&rst
ixpk= 177, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 543, 544,
&end
#
# 85 ILE QG2 85 ILE HA 3.00 (# 179:20 Unique 2.20, 3.00 A)
&rst
ixpk= 179, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1373,1374,1375,
&end
#
# 85 ILE HB 85 ILE HA 3.00 (# 180:20 Unique 2.48, 2.50 A)
&rst
ixpk= 180, nxpk= 20, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 ILE HG1+ 85 ILE HA 4.00 (# 181:20 Unique 3.68, 3.71 A)
&rst
ixpk= 181, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1377,1378,
&end
#
# 37 ASP HB- 34 TYR HA 4.00 (# 182:20 Unique 3.17, 4.51 A)
&rst
ixpk= 182, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 604, 605,
&end
#
# 0 AMB 20-2:183 85 ILE HA 4.00 (# 183:20 Single 0.00, 0.00 )
&rst
ixpk= 183, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1377,1378,1349,1350,1351,
&end
#
# 35 TYR HB+ 35 TYR HA 3.00 (# 185:20 Unique 2.24, 2.66 A)
&rst
ixpk= 185, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 564, 565,
&end
#
# 57 THR HB 57 THR HA 3.00 (# 187:20 Unique 2.51, 2.73 A)
&rst
ixpk= 187, nxpk= 20, iat= 948, 946, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:188 57 THR HA 4.40 (# 188:20 Single 0.00, 0.00 )
&rst
ixpk= 188, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 962, 844, 845,
&end
#
# 58 ILE HG1- 57 THR HA 5.00 (# 189:20 Unique 4.27, 4.94 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 968, 969,
&end
#
# 57 THR MG2 57 THR HA 3.00 (# 190:20 Unique 2.40, 3.63 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 950, 951, 952,
&end
#
# 121 ALA MB 118 TYR HA 3.00 (# 192:20 Unique 2.05, 3.34 A)
&rst
ixpk= 192, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1918,1919,1920,
&end
#
# 118 TYR HB- 118 TYR HA 3.00 (# 193:20 Unique 2.33, 2.68 A)
&rst
ixpk= 193, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1854,1855,
&end
#
# 118 TYR HB+ 118 TYR HA 3.00 (# 194:20 Unique 2.33, 2.68 A)
&rst
ixpk= 194, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1854,1855,
&end
#
# 0 AMB 20-2:195 32 TRP HA 3.50 (# 195:20 Single 0.00, 0.00 )
&rst
ixpk= 195, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 498, 499, 564, 565,
&end
#
# 18 ILE QG2 32 TRP HA 3.00 (# 196:20 Unique 1.93, 2.41 A)
&rst
ixpk= 196, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 287, 288, 289,
&end
#
# 0 AMB 20-2:197 32 TRP HA 3.00 (# 197:20 Single 0.00, 0.00 )
&rst
ixpk= 197, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 498, 499, 564, 565,
&end
#
# 35 TYR HB- 35 TYR HA 3.00 (# 198:20 Unique 2.24, 2.66 A)
&rst
ixpk= 198, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 564, 565,
&end
#
# 38 ASP HB- 35 TYR HA 4.00 (# 199:20 Unique 2.35, 3.08 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 616, 617,
&end
#
# 38 ASP HB+ 35 TYR HA 3.50 (# 200:20 Unique 2.35, 3.08 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 616, 617,
&end
#
# 55 THR MG2 55 THR HA 4.00 (# 203:20 Unique 2.80, 3.68 A)
&rst
ixpk= 203, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 925, 926, 927,
&end
#
# 119 TRP HB+ 119 TRP HA 3.00 (# 204:20 Unique 2.24, 2.57 A)
&rst
ixpk= 204, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1875,1876,
&end
#
# 0 AMB 20-2:205 58 ILE HA 3.00 (# 205:20 Single 0.00, 0.00 )
&rst
ixpk= 205, nxpk= 20, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 844, 845, 962,
&end
#
# 58 ILE QG2 58 ILE HA 3.00 (# 206:20 Unique 2.60, 3.35 A)
&rst
ixpk= 206, nxpk= 20, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 964, 965, 966,
&end
#
# 0 AMB 20-2:207 103 ILE HA 3.00 (# 207:20 Single 0.00, 0.00 )
&rst
ixpk= 207, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1637,1638,1631,
&end
#
# 103 ILE HG1+ 103 ILE HA 3.00 (# 208:20 Unique 2.22, 2.87 A)
&rst
ixpk= 208, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1637,1638,
&end
#
# 0 AMB 20-2:209 0 AMB 20-1:209 5.50 (# 209:20 Double 0.00, 0.00 )
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1650,1651, 809, 810,
igr2=1629, 960,
&end
#
# 0 AMB 20-2:210 28 ARG HA 5.00 (# 210:20 Single 0.00, 0.00 )
&rst
ixpk= 210, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 464, 465, 466,1267,1268,
&end
#
# 0 AMB 20-2:211 25 LYS HA 4.50 (# 211:20 Single 0.00, 0.00 )
&rst
ixpk= 211, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 391, 392,1986,1987,
&end
#
# 0 AMB 20-2:212 25 LYS HA 4.00 (# 212:20 Single 0.00, 0.00 )
&rst
ixpk= 212, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 391, 392, 394, 395,
&end
#
# 0 AMB 20-2:213 4 VAL HA 6.00 (# 213:20 Single 0.00, 0.00 )
&rst
ixpk= 213, nxpk= 20, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 65, 66, 65, 66,
&end
#
# 0 AMB 20-2:214 4 VAL HA 3.00 (# 214:20 Single 0.00, 0.00 )
&rst
ixpk= 214, nxpk= 20, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 48, 49, 50, 52, 53, 54,1931,1932,
&end
#
# 0 AMB 20-2:215 0 AMB 20-1:215 3.00 (# 215:20 Double 0.00, 0.00 )
&rst
ixpk= 215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1633,1634,1635,1840,1841,1842,1844,1845,1846,
igr2=1629,1562,
&end
#
# 31 GLY HA- 19 ILE HA 3.50 (# 216:20 Unique 1.91, 2.96 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 489, 490,
&end
#
# 19 ILE HB 19 ILE HA 3.00 (# 217:20 Unique 2.53, 2.66 A)
&rst
ixpk= 217, nxpk= 20, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 ILE QG2 19 ILE HA 3.00 (# 218:20 Unique 2.03, 2.87 A)
&rst
ixpk= 218, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 306, 307, 308,
&end
#
# 22 ALA MB 19 ILE HA 3.60 (# 219:20 Unique 2.84, 3.84 A)
&rst
ixpk= 219, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 351, 352, 353,
&end
#
# 14 ILE QG2 10 ARG HA 5.00 (# 220:20 Unique 4.08, 4.90 A)
&rst
ixpk= 220, nxpk= 20, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 224, 225, 226,
&end
#
# 17 GLU HB- 13 ARG HA 4.80 (# 221:20 Unique 3.81, 4.47 A)
&rst
ixpk= 221, nxpk= 20, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 270, 271,
&end
#
# 13 ARG HG- 13 ARG HA 3.80 (# 222:20 Unique 2.48, 3.18 A)
&rst
ixpk= 222, nxpk= 20, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 201, 202,
&end
#
# 0 AMB 20-2:223 0 AMB 20-1:223 4.00 (# 223:20 Double 0.00, 0.00 )
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 425, 426, 241, 242,1271,1272,1273,
igr2= 438, 196,
&end
#
# 22 ALA MB 28 ARG HA 3.60 (# 224:20 Unique 2.03, 3.22 A)
&rst
ixpk= 224, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 351, 352, 353,
&end
#
# 117 LEU HA 98 SER HA 4.00 (# 225:20 Unique 4.17, 4.30 A)
&rst
ixpk= 225, nxpk= 20, iat=1833,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:226 98 SER HA 4.00 (# 226:20 Single 0.00, 0.00 )
&rst
ixpk= 226, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 0 AMB 20-2:227 26 GLU HA 3.00 (# 227:20 Single 0.00, 0.00 )
&rst
ixpk= 227, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
&end
#
# 14 ILE HB 10 ARG HA 4.60 (# 228:20 Unique 2.00, 2.60 A)
&rst
ixpk= 228, nxpk= 20, iat= 222, 140, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 13 ARG HD+ 13 ARG HA 4.50 (# 229:20 Unique 2.03, 4.03 A)
&rst
ixpk= 229, nxpk= 20, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 204, 205,
&end
#
# 12 HIS HB+ 12 HIS HA 3.50 (# 231:20 Unique 2.30, 2.74 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 181, 182,
&end
#
# 12 HIS HB- 12 HIS HA 3.50 (# 232:20 Unique 2.30, 2.74 A)
&rst
ixpk= 232, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 181, 182,
&end
#
# 11 GLU HG- 11 GLU HA 3.50 (# 233:20 Unique 2.11, 2.99 A)
&rst
ixpk= 233, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 169, 170,
&end
#
# 11 GLU HG+ 11 GLU HA 4.00 (# 234:20 Unique 2.11, 2.99 A)
&rst
ixpk= 234, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 169, 170,
&end
#
# 14 ILE QD1 11 GLU HA 5.00 (# 235:20 Unique 4.57, 6.04 A)
&rst
ixpk= 235, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 231, 232, 233,
&end
#
# 0 AMB 20-2:236 0 AMB 20-1:236 3.00 (# 236:20 Double 0.00, 0.00 )
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 244, 245, 169, 170, 428, 429,
igr2= 239, 111, 423,
&end
#
# 0 AMB 20-2:237 0 AMB 20-1:237 3.60 (# 237:20 Double 0.00, 0.00 )
&rst
ixpk= 237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 224, 225, 226, 351, 352, 353,
igr2= 239, 423,
&end
#
# 6 ARG HG+ 8 GLU HA 7.00 (# 238:20 Unique 5.52, 7.02 A)
&rst
ixpk= 238, nxpk= 20, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 80, 81,
&end
#
# 0 AMB 20-2:239 56 SER HA 3.50 (# 239:20 Single 0.00, 0.00 )
&rst
ixpk= 239, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 937, 938, 937, 938,
&end
#
# 27 GLU HG- 27 GLU HA 3.00 (# 243:20 Unique 3.16, 3.50 A)
&rst
ixpk= 243, nxpk= 20, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 428, 429,
&end
#
# 0 AMB 20-2:244 8 GLU HA 3.00 (# 244:20 Single 0.00, 0.00 )
&rst
ixpk= 244, nxpk= 20, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 113, 114, 62, 63,
&end
#
# 51 LYS HG+ 56 SER HA 5.00 (# 246:20 Unique 1.97, 4.48 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 847, 848,
&end
#
# 110 GLN HG+ 110 GLN HA 3.80 (# 247:20 Unique 2.24, 3.16 A)
&rst
ixpk= 247, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1731,1732,
&end
#
# 110 GLN HB+ 110 GLN HA 3.00 (# 248:20 Unique 2.58, 2.81 A)
&rst
ixpk= 248, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 105 VAL MGY 110 GLN HA 4.40 (# 249:20 Unique 2.74, 4.75 A)
&rst
ixpk= 249, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:250 116 TRP HA 4.00 (# 250:20 Single 0.00, 0.00 )
&rst
ixpk= 250, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1875,1876,1811,1812,
&end
#
# 114 ALA MB 111 GLU HA 3.00 (# 251:20 Unique 2.73, 3.85 A)
&rst
ixpk= 251, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1789,1790,1791,
&end
#
# 111 GLU HG+ 111 GLU HA 3.00 (# 253:20 Unique 2.51, 3.16 A)
&rst
ixpk= 253, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1748,1749,
&end
#
# 111 GLU HB+ 111 GLU HA 3.00 (# 254:20 Unique 2.50, 2.78 A)
&rst
ixpk= 254, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1745,1746,
&end
#
# 0 AMB 20-2:257 36 LEU HA 3.50 (# 257:20 Single 0.00, 0.00 )
&rst
ixpk= 257, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 585, 586,1760,1761,1762,
&end
#
# 0 AMB 20-2:258 3 SER HA 3.00 (# 258:20 Single 0.00, 0.00 )
&rst
ixpk= 258, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 35, 36, 35, 36,
&end
#
# 109 THR HB 107 ASP HA 6.00 (# 262:20 Unique 5.33, 5.44 A)
&rst
ixpk= 262, nxpk= 20, iat=1714,1688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 105 VAL MGX 107 ASP HA 5.00 (# 263:20 Unique 4.71, 7.09 A)
&rst
ixpk= 263, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 117 LEU HB- 117 LEU HA 3.00 (# 266:20 Unique 2.48, 2.78 A)
&rst
ixpk= 266, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1835,1836,
&end
#
# 117 LEU MDY 117 LEU HA 3.00 (# 267:20 Unique 1.97, 3.86 A)
&rst
ixpk= 267, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:268 117 LEU HA 3.00 (# 268:20 Single 0.00, 0.00 )
&rst
ixpk= 268, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1899,1900,1835,1836,
&end
#
# 37 ASP HB- 37 ASP HA 3.00 (# 269:20 Unique 2.24, 2.66 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 37 ASP HB- 37 ASP HA 3.00 (# 270:20 Unique 2.24, 2.66 A)
&rst
ixpk= 270, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 0 AMB 20-2:271 37 ASP HA 3.00 (# 271:20 Single 0.00, 0.00 )
&rst
ixpk= 271, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1123,1124, 604, 605,
&end
#
# 108 ASP HB+ 108 ASP HA 3.00 (# 272:20 Unique 2.32, 2.81 A)
&rst
ixpk= 272, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1702,1703,
&end
#
# 0 AMB 20-2:273 0 AMB 20-1:273 3.50 (# 273:20 Double 0.00, 0.00 )
&rst
ixpk= 273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 904, 905, 904, 905,
igr2= 899, 875,
&end
#
# 106 ASP HB+ 107 ASP HA 5.00 (# 274:20 Unique 4.46, 5.10 A)
&rst
ixpk= 274, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1678,1679,
&end
#
# 107 ASP HB+ 107 ASP HA 3.50 (# 275:20 Unique 2.41, 2.78 A)
&rst
ixpk= 275, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1690,1691,
&end
#
# 111 GLU HG+ 107 ASP HA 3.70 (# 276:20 Unique 3.08, 3.69 A)
&rst
ixpk= 276, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1748,1749,
&end
#
# 110 GLN HB+ 107 ASP HA 3.30 (# 277:20 Unique 3.00, 3.45 A)
&rst
ixpk= 277, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1728,1729,
&end
#
# 0 AMB 20-2:278 0 AMB 20-1:278 3.00 (# 278:20 Double 0.00, 0.00 )
&rst
ixpk= 278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 877, 878, 901, 902,
igr2= 875, 899,
&end
#
# 55 THR MG2 0 AMB 20-1:279 6.00 (# 279:20 Single 0.00, 0.00 )
&rst
ixpk= 279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 925, 926, 927,
igr2= 875, 899,
&end
#
# 0 AMB 20-2:281 0 AMB 20-1:281 4.00 (# 281:20 Double 0.00, 0.00 )
&rst
ixpk= 281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 880, 881, 907, 908,
igr2= 875, 899,
&end
#
# 53 ARG HD+ 53 ARG HA 4.00 (# 282:20 Unique 3.29, 4.08 A)
&rst
ixpk= 282, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 883, 884,
&end
#
# 71 ASP HB+ 71 ASP HA 3.00 (# 284:20 Unique 2.35, 2.56 A)
&rst
ixpk= 284, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1161,1162,
&end
#
# 74 CYS HB- 71 ASP HA 5.60 (# 285:20 Unique 2.52, 4.71 A)
&rst
ixpk= 285, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1200,1201,
&end
#
# 71 ASP HB- 71 ASP HA 3.00 (# 286:20 Unique 2.35, 2.56 A)
&rst
ixpk= 286, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1161,1162,
&end
#
# 74 CYS HB- 71 ASP HA 6.10 (# 287:20 Unique 2.52, 4.71 A)
&rst
ixpk= 287, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1200,1201,
&end
#
# 52 SER HB+ 52 SER HA 4.00 (# 289:20 Unique 2.34, 2.76 A)
&rst
ixpk= 289, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 866, 867,
&end
#
# 0 AMB 20-2:290 97 LEU HA 4.00 (# 290:20 Single 0.00, 0.00 )
&rst
ixpk= 290, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1589,1590,1591,1548,
&end
#
# 100 ILE HB 97 LEU HA 5.00 (# 291:20 Unique 4.04, 4.22 A)
&rst
ixpk= 291, nxpk= 20, iat=1587,1543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:292 97 LEU HA 3.00 (# 292:20 Single 0.00, 0.00 )
&rst
ixpk= 292, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1550,1551,1552,1554,1555,1556,1772,1773,1774,1545,
1546,
&end
#
# 0 AMB 20-2:293 97 LEU HA 4.00 (# 293:20 Single 0.00, 0.00 )
&rst
ixpk= 293, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
1909,1910,1904,1905,1906,1908,1909,1910,
&end
#
# 97 LEU HB+ 97 LEU HA 3.50 (# 294:20 Unique 2.44, 2.78 A)
&rst
ixpk= 294, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1545,1546,
&end
#
# 96 LYS HG+ 96 LYS HA 4.00 (# 295:20 Unique 2.43, 3.28 A)
&rst
ixpk= 295, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1526,1527,
&end
#
# 96 LYS HB+ 96 LYS HA 3.50 (# 296:20 Unique 2.37, 2.77 A)
&rst
ixpk= 296, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1523,1524,
&end
#
# 96 LYS HD+ 96 LYS HA 4.50 (# 297:20 Unique 1.55, 3.01 A)
&rst
ixpk= 297, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1529,1530,
&end
#
# 0 AMB 20-2:298 0 AMB 20-1:298 3.60 (# 298:20 Double 0.00, 0.00 )
&rst
ixpk= 298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 364, 365, 273, 274,
igr2= 359, 268,
&end
#
# 22 ALA MB 23 GLU HA 4.60 (# 299:20 Unique 4.31, 5.11 A)
&rst
ixpk= 299, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 351, 352, 353,
&end
#
# 6 ARG HB- 6 ARG HA 3.00 (# 300:20 Unique 2.24, 2.46 A)
&rst
ixpk= 300, nxpk= 20, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 77, 78,
&end
#
# 0 AMB 20-2:301 0 AMB 20-1:301 3.60 (# 301:20 Double 0.00, 0.00 )
&rst
ixpk= 301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 361, 362, 270, 271,
igr2= 359, 268,
&end
#
# 17 GLU HB- 17 GLU HA 3.00 (# 302:20 Unique 2.42, 2.73 A)
&rst
ixpk= 302, nxpk= 20, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 270, 271,
&end
#
# 0 AMB 20-2:303 17 GLU HA 6.00 (# 303:20 Single 0.00, 0.00 )
&rst
ixpk= 303, nxpk= 20, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 120 LEU HB+ 120 LEU HA 3.00 (# 304:20 Unique 2.24, 2.64 A)
&rst
ixpk= 304, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1899,1900,
&end
#
# 0 AMB 20-2:305 120 LEU HA 3.00 (# 305:20 Single 0.00, 0.00 )
&rst
ixpk= 305, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 120 LEU HB- 120 LEU HA 3.00 (# 306:20 Unique 2.24, 2.64 A)
&rst
ixpk= 306, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1899,1900,
&end
#
# 0 AMB 20-2:308 73 GLU HA 3.60 (# 308:20 Single 0.00, 0.00 )
&rst
ixpk= 308, nxpk= 20, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1188,1189,1185,1186,
&end
#
# 88 LYS HB+ 88 LYS HA 3.00 (# 309:20 Unique 2.28, 2.65 A)
&rst
ixpk= 309, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1404,1405,
&end
#
# 0 AMB 20-2:310 0 AMB 20-1:310 3.00 (# 310:20 Double 0.00, 0.00 )
&rst
ixpk= 310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1404,1405, 844, 845,
igr2=1402, 842,
&end
#
# 0 AMB 20-2:311 0 AMB 20-1:311 3.50 (# 311:20 Double 0.00, 0.00 )
&rst
ixpk= 311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 968, 969,1407,1408,
igr2= 842,1402,
&end
#
# 87 GLY HA+ 88 LYS HA 4.80 (# 312:20 Unique 4.35, 4.46 A)
&rst
ixpk= 312, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1395,1396,
&end
#
# 51 LYS HG+ 51 LYS HA 3.00 (# 313:20 Unique 2.03, 2.79 A)
&rst
ixpk= 313, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 847, 848,
&end
#
# 58 ILE HG1+ 51 LYS HA 5.00 (# 314:20 Unique 2.27, 4.15 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 968, 969,
&end
#
# 50 LYS HG+ 51 LYS HA 6.00 (# 315:20 Unique 4.03, 4.80 A)
&rst
ixpk= 315, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 825, 826,
&end
#
# 0 AMB 20-2:316 75 LEU HA 3.00 (# 316:20 Single 0.00, 0.00 )
&rst
ixpk= 316, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB- 75 LEU HA 3.00 (# 317:20 Unique 2.40, 2.73 A)
&rst
ixpk= 317, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 75 LEU HB+ 75 LEU HA 3.00 (# 318:20 Unique 2.40, 2.73 A)
&rst
ixpk= 318, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 75 LEU MDX 75 LEU HA 3.00 (# 319:20 Unique 1.99, 3.81 A)
&rst
ixpk= 319, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 43 PRO HB+ 66 LEU HA 3.50 (# 320:20 Unique 1.98, 3.05 A)
&rst
ixpk= 320, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 699, 700,
&end
#
# 0 AMB 20-2:322 66 LEU HA 4.00 (# 322:20 Single 0.00, 0.00 )
&rst
ixpk= 322, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 696, 697,1066,1067,
&end
#
# 81 GLU HB+ 66 LEU HA 5.00 (# 323:20 Unique 4.91, 5.69 A)
&rst
ixpk= 323, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1318,1319,
&end
#
# 66 LEU HB- 66 LEU HA 3.50 (# 324:20 Unique 2.31, 2.78 A)
&rst
ixpk= 324, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1094,1095,
&end
#
# 0 AMB 20-2:325 66 LEU HA 3.00 (# 325:20 Single 0.00, 0.00 )
&rst
ixpk= 325, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,
&end
#
# 38 ASP HB- 38 ASP HA 3.00 (# 326:20 Unique 2.38, 2.75 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 616, 617,
&end
#
# 33 TYR HB- 30 MET HA 3.50 (# 328:20 Unique 2.87, 3.81 A)
&rst
ixpk= 328, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 522, 523,
&end
#
# 30 MET ME 30 MET HA 3.00 (# 329:20 Unique 1.99, 3.01 A)
&rst
ixpk= 329, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 481, 482, 483,
&end
#
# 0 AMB 20-2:330 5 GLU HA 5.50 (# 330:20 Single 0.00, 0.00 )
&rst
ixpk= 330, nxpk= 20, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 65, 66, 65, 66,
&end
#
# 5 GLU HB+ 5 GLU HA 3.80 (# 331:20 Unique 2.35, 2.48 A)
&rst
ixpk= 331, nxpk= 20, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 62, 63,
&end
#
# 5 GLU HB- 5 GLU HA 3.80 (# 332:20 Unique 2.35, 2.48 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 62, 63,
&end
#
# 75 LEU HB+ 75 LEU HA 3.00 (# 333:20 Unique 2.40, 2.73 A)
&rst
ixpk= 333, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 109 THR MG2 40 LEU HA 3.00 (# 334:20 Unique 1.99, 3.60 A)
&rst
ixpk= 334, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1716,1717,1718,
&end
#
# 40 LEU MDX 40 LEU HA 4.00 (# 335:20 Unique 1.96, 3.81 A)
&rst
ixpk= 335, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB+ 40 LEU HA 4.00 (# 336:20 Unique 2.57, 2.82 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 642, 643,
&end
#
# 50 LYS HB- 50 LYS HA 3.00 (# 337:20 Unique 2.46, 2.78 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 822, 823,
&end
#
# 0 AMB 20-2:338 50 LYS HA 4.00 (# 338:20 Single 0.00, 0.00 )
&rst
ixpk= 338, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 844, 845, 981, 982,1011,1012,
&end
#
# 50 LYS HD+ 50 LYS HA 5.00 (# 339:20 Unique 3.70, 4.35 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 828, 829,
&end
#
# 40 LEU HB- 40 LEU HA 3.50 (# 340:20 Unique 2.57, 2.82 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 642, 643,
&end
#
# 40 LEU MDY 40 LEU HA 3.00 (# 341:20 Unique 1.96, 3.81 A)
&rst
ixpk= 341, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 49 LYS HG- 49 LYS HA 4.00 (# 342:20 Unique 3.02, 3.61 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 803, 804,
&end
#
# 58 ILE QG2 49 LYS HA 3.00 (# 343:20 Unique 2.25, 3.41 A)
&rst
ixpk= 343, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 964, 965, 966,
&end
#
# 49 LYS HB- 49 LYS HA 3.00 (# 344:20 Unique 2.30, 2.67 A)
&rst
ixpk= 344, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 800, 801,
&end
#
# 0 AMB 20-2:345 49 LYS HA 4.00 (# 345:20 Single 0.00, 0.00 )
&rst
ixpk= 345, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 803, 804, 757, 758,
&end
#
# 117 LEU MDX 114 ALA HA 3.00 (# 346:20 Unique 1.98, 4.09 A)
&rst
ixpk= 346, nxpk= 20, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 114 ALA MB 114 ALA HA 3.00 (# 347:20 Unique 2.22, 2.63 A)
&rst
ixpk= 347, nxpk= 20, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1789,1790,1791,
&end
#
# 0 AMB 20-2:348 114 ALA HA 6.00 (# 348:20 Single 0.00, 0.00 )
&rst
ixpk= 348, nxpk= 20, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1833,1768,1799,1800,
&end
#
# 0 AMB 20-2:349 50 LYS HA 4.80 (# 349:20 Single 0.00, 0.00 )
&rst
ixpk= 349, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 850, 851, 844, 845,
&end
#
# 50 LYS HB+ 50 LYS HA 3.00 (# 350:20 Unique 2.46, 2.78 A)
&rst
ixpk= 350, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 822, 823,
&end
#
# 51 LYS HA 50 LYS HA 5.00 (# 351:20 Unique 4.33, 4.40 A)
&rst
ixpk= 351, nxpk= 20, iat= 842, 820, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 LYS HE+ 50 LYS HA 4.50 (# 352:20 Unique 2.30, 3.82 A)
&rst
ixpk= 352, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 831, 832,
&end
#
# 0 AMB 20-2:353 21 ASP HA 5.80 (# 353:20 Single 0.00, 0.00 )
&rst
ixpk= 353, nxpk= 20, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 20 VAL HA 21 ASP HA 6.00 (# 354:20 Unique 4.53, 4.56 A)
&rst
ixpk= 354, nxpk= 20, iat= 321, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:355 1 MET HA 3.00 (# 355:20 Single 0.00, 0.00 )
&rst
ixpk= 355, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 8, 9,1980,1981,
&end
#
# 0 AMB 20-2:356 1 MET HA 4.00 (# 356:20 Single 0.00, 0.00 )
&rst
ixpk= 356, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 11, 12, 11, 12,
&end
#
# 1 MET HB+ 1 MET HA 3.00 (# 357:20 Unique 2.30, 2.63 A)
&rst
ixpk= 357, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 8, 9,
&end
#
# 103 ILE QG2 104 ASP HA 4.00 (# 358:20 Unique 3.80, 4.79 A)
&rst
ixpk= 358, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 104 ASP HB+ 104 ASP HA 3.00 (# 359:20 Unique 2.45, 2.80 A)
&rst
ixpk= 359, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1650,1651,
&end
#
# 104 ASP HB- 104 ASP HA 3.00 (# 360:20 Unique 2.45, 2.80 A)
&rst
ixpk= 360, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1650,1651,
&end
#
# 105 VAL MGX 104 ASP HA 5.80 (# 361:20 Unique 4.56, 5.63 A)
&rst
ixpk= 361, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 72 ASP HB+ 72 ASP HA 3.00 (# 363:20 Unique 2.30, 2.67 A)
&rst
ixpk= 363, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1173,1174,
&end
#
# 72 ASP HB- 72 ASP HA 3.00 (# 364:20 Unique 2.30, 2.67 A)
&rst
ixpk= 364, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1173,1174,
&end
#
# 29 ALA MB 29 ALA HA 3.00 (# 366:20 Unique 2.22, 2.63 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 464, 465, 466,
&end
#
# 78 MET ME 29 ALA HA 3.50 (# 367:20 Unique 1.99, 3.03 A)
&rst
ixpk= 367, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1271,1272,1273,
&end
#
# 83 ALA MB 89 ASP HA 4.50 (# 368:20 Unique 3.37, 5.01 A)
&rst
ixpk= 368, nxpk= 20, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1349,1350,1351,
&end
#
# 89 ASP HB+ 89 ASP HA 3.00 (# 369:20 Unique 2.34, 2.76 A)
&rst
ixpk= 369, nxpk= 20, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1426,1427,
&end
#
# 59 GLU HB+ 59 GLU HA 3.00 (# 370:20 Unique 2.57, 2.82 A)
&rst
ixpk= 370, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 981, 982,
&end
#
# 41 GLU HB- 41 GLU HA 3.20 (# 371:20 Unique 2.26, 2.45 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 661, 662,
&end
#
# 0 AMB 20-2:372 121 ALA HA 4.20 (# 372:20 Single 0.00, 0.00 )
&rst
ixpk= 372, nxpk= 20, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 0 AMB 20-2:374 121 ALA HA 5.50 (# 374:20 Single 0.00, 0.00 )
&rst
ixpk= 374, nxpk= 20, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 48, 49, 50, 52, 53, 54,1931,1932,
&end
#
# 41 GLU HG+ 41 GLU HA 4.70 (# 375:20 Unique 3.55, 3.75 A)
&rst
ixpk= 375, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 664, 665,
&end
#
# 124 TYR HB- 124 TYR HA 4.00 (# 376:20 Unique 2.27, 2.50 A)
&rst
ixpk= 376, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1959,1960,
&end
#
# 122 ARG HD+ 122 ARG HA 3.50 (# 378:20 Unique 2.10, 3.23 A)
&rst
ixpk= 378, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1934,1935,
&end
#
# 4 VAL MGX 122 ARG HA 4.00 (# 379:20 Unique 3.53, 5.59 A)
&rst
ixpk= 379, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 122 ARG HB- 122 ARG HA 3.00 (# 380:20 Unique 2.45, 2.81 A)
&rst
ixpk= 380, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1928,1929,
&end
#
# 122 ARG HB+ 122 ARG HA 3.00 (# 381:20 Unique 2.45, 2.81 A)
&rst
ixpk= 381, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1928,1929,
&end
#
# 106 ASP HB+ 106 ASP HA 3.00 (# 382:20 Unique 2.35, 2.82 A)
&rst
ixpk= 382, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1678,1679,
&end
#
# 106 ASP HB- 106 ASP HA 3.00 (# 383:20 Unique 2.35, 2.82 A)
&rst
ixpk= 383, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1678,1679,
&end
#
# 46 GLY HA+ 102 ALA HA 3.50 (# 385:20 Unique 2.17, 2.94 A)
&rst
ixpk= 385, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 102 ALA MB 102 ALA HA 3.00 (# 388:20 Unique 2.22, 2.63 A)
&rst
ixpk= 388, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1621,1622,1623,
&end
#
# 0 AMB 20-2:389 102 ALA HA 5.00 (# 389:20 Single 0.00, 0.00 )
&rst
ixpk= 389, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1631, 760, 761,
&end
#
# 100 ILE QG2 102 ALA HA 4.00 (# 390:20 Unique 3.60, 4.87 A)
&rst
ixpk= 390, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1589,1590,1591,
&end
#
# 0 AMB 20-2:391 22 ALA HA 5.10 (# 391:20 Single 0.00, 0.00 )
&rst
ixpk= 391, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 428, 429, 339, 340,
&end
#
# 0 AMB 20-2:393 22 ALA HA 3.90 (# 393:20 Single 0.00, 0.00 )
&rst
ixpk= 393, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 428, 429, 364, 365,
&end
#
# 27 GLU HB+ 22 ALA HA 3.60 (# 394:20 Unique 1.99, 2.36 A)
&rst
ixpk= 394, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 425, 426,
&end
#
# 0 AMB 20-2:395 22 ALA HA 4.60 (# 395:20 Single 0.00, 0.00 )
&rst
ixpk= 395, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 359, 337,
&end
#
# 22 ALA MB 22 ALA HA 3.60 (# 396:20 Unique 2.22, 2.63 A)
&rst
ixpk= 396, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 351, 352, 353,
&end
#
# 27 GLU HA 22 ALA HA 5.60 (# 397:20 Unique 4.28, 4.49 A)
&rst
ixpk= 397, nxpk= 20, iat= 423, 349, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 0 AMB 20-2:398 2 ALA HA 6.00 (# 398:20 Single 0.00, 0.00 )
&rst
ixpk= 398, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1926,1875,1876,
&end
#
# 69 ALA MB 69 ALA HA 3.00 (# 402:20 Unique 2.22, 2.63 A)
&rst
ixpk= 402, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1137,1138,1139,
&end
#
# 70 PRO HD- 69 ALA HA 3.00 (# 403:20 Unique 2.38, 2.61 A)
&rst
ixpk= 403, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1144,1145,
&end
#
# 70 PRO HD+ 69 ALA HA 3.00 (# 404:20 Unique 2.38, 2.61 A)
&rst
ixpk= 404, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1144,1145,
&end
#
# 0 AMB 20-2:405 69 ALA HA 5.60 (# 405:20 Single 0.00, 0.00 )
&rst
ixpk= 405, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1188,1189,1147,1148,
&end
#
# 81 GLU HG+ 69 ALA HA 3.50 (# 406:20 Unique 2.32, 3.60 A)
&rst
ixpk= 406, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1321,1322,
&end
#
# 81 GLU HG- 69 ALA HA 3.00 (# 407:20 Unique 2.32, 3.60 A)
&rst
ixpk= 407, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1321,1322,
&end
#
# 43 PRO HB+ 43 PRO HD+ 4.00 (# 412:20 Unique 2.98, 3.70 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 43 PRO HG+ 43 PRO HD+ 3.00 (# 413:20 Unique 2.30, 2.58 A)
&rst
ixpk= 413, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 696, 697,
igr2= 693, 694,
&end
#
# 43 PRO HB+ 43 PRO HD- 4.00 (# 415:20 Unique 2.98, 3.70 A)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 0 AMB 20-2:416 43 PRO HD- 3.00 (# 416:20 Single 0.00, 0.00 )
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 696, 697, 696, 697,
igr2= 693, 694,
&end
#
# 43 PRO HB- 43 PRO HD- 3.00 (# 417:20 Unique 2.98, 3.70 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 69 ALA HA 70 PRO HD- 3.00 (# 422:20 Unique 2.38, 2.61 A)
&rst
ixpk= 422, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1144,1145,
&end
#
# 69 ALA MB 70 PRO HD- 3.00 (# 424:20 Unique 1.88, 3.05 A)
&rst
ixpk= 424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1137,1138,1139,
igr2=1144,1145,
&end
#
# 69 ALA HA 70 PRO HD+ 3.00 (# 425:20 Unique 2.38, 2.61 A)
&rst
ixpk= 425, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:427 0 AMB 20-1:427 3.60 (# 427:20 Double 0.00, 0.00 )
&rst
ixpk= 427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1188,1189,1147,1148,
igr2=1144,1145,1144,1145,
&end
#
# 70 PRO HG- 70 PRO HD+ 3.00 (# 428:20 Unique 2.30, 2.58 A)
&rst
ixpk= 428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1147,1148,
igr2=1144,1145,
&end
#
# 69 ALA MB 70 PRO HD+ 3.00 (# 429:20 Unique 1.88, 3.05 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1137,1138,1139,
igr2=1144,1145,
&end
#
# 85 ILE HG1- 86 GLY HA+ 5.50 (# 443:20 Unique 4.07, 5.18 A)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1377,1378,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:444 0 AMB 20-1:444 5.80 (# 444:20 Double 0.00, 0.00 )
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.54, r4=11.04,
igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
igr2=1388,1389,1388,1389,
&end
#
# 0 AMB 20-2:445 0 AMB 20-1:445 5.50 (# 445:20 Double 0.00, 0.00 )
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1371,1404,1405,
igr2=1388,1389,1388,1389,
&end
#
# 84 ASP HB+ 87 GLY HA+ 5.00 (# 448:20 Unique 2.67, 4.37 A)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,
igr2=1395,1396,
&end
#
# 88 LYS HG+ 87 GLY HA+ 5.00 (# 449:20 Unique 3.13, 4.65 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1407,1408,
igr2=1395,1396,
&end
#
# 88 LYS HG+ 87 GLY HA- 5.00 (# 450:20 Unique 3.13, 4.65 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1407,1408,
igr2=1395,1396,
&end
#
# 84 ASP HB- 87 GLY HA- 4.00 (# 452:20 Unique 2.67, 4.37 A)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1359,1360,
igr2=1395,1396,
&end
#
# 0 AMB 20-2:453 87 GLY HA- 6.00 (# 453:20 Single 0.00, 0.00 )
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1413,1414,1359,1360,
igr2=1395,1396,
&end
#
# 88 LYS HB- 87 GLY HA- 6.00 (# 454:20 Unique 4.99, 5.73 A)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1404,1405,
igr2=1395,1396,
&end
#
# 84 ASP HB- 87 GLY HA+ 4.50 (# 456:20 Unique 2.67, 4.37 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1359,1360,
igr2=1395,1396,
&end
#
# 0 AMB 20-2:457 0 AMB 20-1:457 6.00 (# 457:20 Double 0.00, 0.00 )
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
igr2= 745, 746, 745, 746,
&end
#
# 102 ALA HA 46 GLY HA+ 3.50 (# 458:20 Unique 2.17, 2.94 A)
&rst
ixpk= 458, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 746,
&end
#
# 100 ILE HG1+ 46 GLY HA+ 5.00 (# 459:20 Unique 1.93, 4.16 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1593,1594,
igr2= 745, 746,
&end
#
# 100 ILE QG2 46 GLY HA+ 4.00 (# 460:20 Unique 2.36, 4.37 A)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1589,1590,1591,
igr2= 745, 746,
&end
#
# 103 ILE HB 46 GLY HA+ 4.00 (# 461:20 Unique 2.38, 3.85 A)
&rst
ixpk= 461, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 745, 746,
&end
#
# 100 ILE HG1+ 46 GLY HA+ 5.00 (# 466:20 Unique 1.93, 4.16 A)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1593,1594,
igr2= 745, 746,
&end
#
# 6 ARG HG+ 6 ARG HD+ 3.00 (# 470:20 Unique 2.22, 2.65 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 80, 81,
igr2= 83, 84,
&end
#
# 6 ARG HB- 6 ARG HD+ 3.00 (# 471:20 Unique 2.08, 3.34 A)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 77, 78,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:472 0 AMB 20-1:472 3.00 (# 472:20 Double 0.00, 0.00 )
&rst
ixpk= 472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 130, 131, 132, 201, 202,
igr2= 148, 149, 204, 205,
&end
#
# 0 AMB 20-2:476 0 AMB 20-1:476 3.00 (# 476:20 Double 0.00, 0.00 )
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 877, 878, 981, 982,
igr2= 883, 884, 883, 884,
&end
#
# 50 LYS HG+ 53 ARG HD+ 6.00 (# 477:20 Unique 2.27, 5.59 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 825, 826,
igr2= 883, 884,
&end
#
# 0 AMB 20-2:478 0 AMB 20-1:478 5.00 (# 478:20 Double 0.00, 0.00 )
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 979, 923,
igr2= 883, 884, 883, 884,
&end
#
# 53 ARG HG+ 53 ARG HD+ 3.00 (# 479:20 Unique 2.22, 2.71 A)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 880, 881,
igr2= 883, 884,
&end
#
# 6 ARG HG+ 6 ARG HD- 3.00 (# 481:20 Unique 2.22, 2.65 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 80, 81,
igr2= 83, 84,
&end
#
# 66 LEU HA 66 LEU HB- 3.50 (# 483:20 Unique 2.31, 2.78 A)
&rst
ixpk= 483, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 0 AMB 20-2:484 66 LEU HB- 3.00 (# 484:20 Single 0.00, 0.00 )
&rst
ixpk= 484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,1097,
igr2=1094,1095,
&end
#
# 66 LEU HA 66 LEU HB- 3.50 (# 485:20 Unique 2.31, 2.78 A)
&rst
ixpk= 485, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 66 LEU HA 66 LEU HB+ 3.50 (# 486:20 Unique 2.31, 2.78 A)
&rst
ixpk= 486, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 0 AMB 20-2:487 0 AMB 20-1:487 3.00 (# 487:20 Double 0.00, 0.00 )
&rst
ixpk= 487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,1097,
igr2=1094,1095,1094,1095,1094,1095,
&end
#
# 53 ARG HA 53 ARG HD+ 4.00 (# 488:20 Unique 3.29, 4.08 A)
&rst
ixpk= 488, nxpk= 20, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 883, 884,
&end
#
# 0 AMB 20-2:494 24 ASP HB- 4.00 (# 494:20 Single 0.00, 0.00 )
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 425, 426, 410, 411,
igr2= 376, 377,
&end
#
# 0 AMB 20-2:495 24 ASP HB- 6.10 (# 495:20 Single 0.00, 0.00 )
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.23, r4= 9.73,
igr1= 361, 362, 388, 389, 477, 478,
igr2= 376, 377,
&end
#
# 96 LYS HG- 96 LYS HE+ 3.00 (# 497:20 Unique 2.14, 3.37 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1526,1527,
igr2=1532,1533,
&end
#
# 76 LYS HB+ 76 LYS HE+ 3.80 (# 498:20 Unique 2.01, 3.23 A)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1230,1231,
igr2=1239,1240,
&end
#
# 96 LYS HG- 96 LYS HE- 3.00 (# 499:20 Unique 2.14, 3.37 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1526,1527,
igr2=1532,1533,
&end
#
# 38 ASP HA 38 ASP HB+ 3.00 (# 500:20 Unique 2.38, 2.75 A)
&rst
ixpk= 500, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 616, 617,
&end
#
# 35 TYR HA 38 ASP HB+ 3.00 (# 501:20 Unique 2.35, 3.08 A)
&rst
ixpk= 501, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 616, 617,
&end
#
# 0 AMB 20-2:503 0 AMB 20-1:503 3.00 (# 503:20 Double 0.00, 0.00 )
&rst
ixpk= 503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 602, 562,
igr2= 604, 605, 616, 617,
&end
#
# 26 GLU HA 25 LYS HE+ 5.00 (# 504:20 Unique 2.92, 5.34 A)
&rst
ixpk= 504, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 397, 398,
&end
#
# 25 LYS HD+ 25 LYS HE+ 3.00 (# 507:20 Unique 2.22, 2.67 A)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 394, 395,
igr2= 397, 398,
&end
#
# 25 LYS HG- 25 LYS HE+ 3.00 (# 508:20 Unique 2.01, 3.27 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 391, 392,
igr2= 397, 398,
&end
#
# 0 AMB 20-2:509 0 AMB 20-1:509 3.00 (# 509:20 Double 0.00, 0.00 )
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1529,1530,1523,1524,
igr2=1532,1533,1532,1533,
&end
#
# 0 AMB 20-2:510 0 AMB 20-1:510 3.00 (# 510:20 Double 0.00, 0.00 )
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1529,1530,1410,1411,
igr2=1532,1533,1413,1414,
&end
#
# 0 AMB 20-2:511 0 AMB 20-1:511 3.50 (# 511:20 Double 0.00, 0.00 )
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1233,1234,1526,1527,
igr2=1239,1240,1532,1533,
&end
#
# 0 AMB 20-2:513 0 AMB 20-1:513 3.00 (# 513:20 Double 0.00, 0.00 )
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1980,1981,1986,1987, 806, 807,
igr2=1989,1990,1989,1990, 809, 810,
&end
#
# 125 LYS HG+ 125 LYS HE+ 3.00 (# 514:20 Unique 2.01, 3.14 A)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1983,1984,
igr2=1989,1990,
&end
#
# 0 AMB 20-2:515 0 AMB 20-1:515 6.00 (# 515:20 Double 0.00, 0.00 )
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.56, r4=13.06,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470, 825, 826,
igr2=1359,1360,1359,1360, 809, 810,
&end
#
# 106 ASP HA 106 ASP HB+ 3.00 (# 517:20 Unique 2.35, 2.82 A)
&rst
ixpk= 517, nxpk= 20, iat=1676, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1678,1679,
&end
#
# 47 LYS HD+ 47 LYS HE+ 3.00 (# 518:20 Unique 2.22, 2.67 A)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 760, 761,
igr2= 763, 764,
&end
#
# 47 LYS HG+ 47 LYS HE+ 3.00 (# 519:20 Unique 1.94, 3.14 A)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 763, 764,
&end
#
# 0 AMB 20-2:520 0 AMB 20-1:520 6.00 (# 520:20 Double 0.00, 0.00 )
&rst
ixpk= 520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1017,1018, 800, 801,
igr2= 831, 832, 831, 832,
&end
#
# 88 LYS HB- 91 ASP HB- 3.80 (# 521:20 Unique 1.93, 3.54 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1404,1405,
igr2=1450,1451,
&end
#
# 50 LYS HB+ 50 LYS HE+ 3.00 (# 522:20 Unique 2.24, 3.48 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 822, 823,
igr2= 831, 832,
&end
#
# 50 LYS HD+ 50 LYS HE+ 3.00 (# 523:20 Unique 2.22, 2.66 A)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 828, 829,
igr2= 831, 832,
&end
#
# 50 LYS HD- 50 LYS HE+ 3.00 (# 524:20 Unique 2.22, 2.66 A)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 828, 829,
igr2= 831, 832,
&end
#
# 50 LYS HG+ 50 LYS HE+ 3.60 (# 525:20 Unique 2.01, 3.37 A)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 825, 826,
igr2= 831, 832,
&end
#
# 75 LEU MDY 75 LEU HB- 3.00 (# 526:20 Unique 2.25, 3.28 A)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1216,1217,1218,1220,1221,1222,
igr2=1211,1212,
&end
#
# 75 LEU HA 75 LEU HB- 3.50 (# 527:20 Unique 2.40, 2.73 A)
&rst
ixpk= 527, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1211,1212,
&end
#
# 75 LEU HG 75 LEU HB- 3.50 (# 528:20 Unique 2.40, 2.73 A)
&rst
ixpk= 528, nxpk= 20, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1211,1212,
&end
#
# 97 LEU HG 97 LEU HB+ 3.00 (# 530:20 Unique 2.22, 2.51 A)
&rst
ixpk= 530, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1545,1546,
&end
#
# 0 AMB 20-2:532 0 AMB 20-1:532 4.00 (# 532:20 Double 0.00, 0.00 )
&rst
ixpk= 532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
1909,1910,
igr2=1545,1546,1545,1546,
&end
#
# 75 LEU HA 75 LEU HB+ 3.00 (# 534:20 Unique 2.40, 2.73 A)
&rst
ixpk= 534, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:535 0 AMB 20-1:535 3.00 (# 535:20 Double 0.00, 0.00 )
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1216,1217,1218,1220,1221,1222,1959,1960,
igr2=1211,1212,1899,1900,
&end
#
# 0 AMB 20-2:536 0 AMB 20-1:536 3.00 (# 536:20 Double 0.00, 0.00 )
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1899,1900,1899,1900,
&end
#
# 97 LEU HA 97 LEU HB- 4.50 (# 537:20 Unique 2.44, 2.78 A)
&rst
ixpk= 537, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1545,1546,
&end
#
# 97 LEU MDY 97 LEU HB- 4.00 (# 538:20 Unique 2.04, 3.43 A)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1550,1551,1552,1554,1555,1556,
igr2=1545,1546,
&end
#
# 97 LEU HG 97 LEU HB- 3.00 (# 540:20 Unique 2.22, 2.51 A)
&rst
ixpk= 540, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1545,1546,
&end
#
# 117 LEU HA 120 LEU HB- 3.00 (# 541:20 Unique 2.22, 3.68 A)
&rst
ixpk= 541, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1899,1900,
&end
#
# 0 AMB 20-2:542 120 LEU HB- 3.00 (# 542:20 Single 0.00, 0.00 )
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1899,1900,
&end
#
# 49 LYS HB+ 99 ASP HB+ 6.00 (# 548:20 Unique 3.78, 5.89 A)
&rst
ixpk= 548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 800, 801,
igr2=1575,1576,
&end
#
# 0 AMB 20-2:550 99 ASP HB- 6.00 (# 550:20 Single 0.00, 0.00 )
&rst
ixpk= 550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1596,1597,1598,1513,1514,1515,
igr2=1575,1576,
&end
#
# 61 LYS HB- 61 LYS HE+ 3.00 (# 552:20 Unique 2.29, 2.82 A)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1011,1012,
igr2=1020,1021,
&end
#
# 61 LYS HD+ 61 LYS HE+ 3.00 (# 553:20 Unique 2.22, 2.68 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1017,1018,
igr2=1020,1021,
&end
#
# 61 LYS HG- 61 LYS HE+ 3.00 (# 554:20 Unique 2.36, 3.43 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1014,1015,
igr2=1020,1021,
&end
#
# 63 VAL MGY 61 LYS HE+ 5.00 (# 555:20 Unique 3.34, 5.51 A)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1020,1021,
&end
#
# 61 LYS HD+ 61 LYS HE- 3.00 (# 556:20 Unique 2.22, 2.68 A)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1017,1018,
igr2=1020,1021,
&end
#
# 61 LYS HG- 61 LYS HE- 3.40 (# 557:20 Unique 2.36, 3.43 A)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1014,1015,
igr2=1020,1021,
&end
#
# 63 VAL MGY 61 LYS HE- 5.00 (# 558:20 Unique 3.34, 5.51 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1020,1021,
&end
#
# 61 LYS HB- 61 LYS HE- 3.00 (# 559:20 Unique 2.29, 2.82 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1011,1012,
igr2=1020,1021,
&end
#
# 61 LYS HB+ 61 LYS HE- 3.00 (# 560:20 Unique 2.29, 2.82 A)
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1011,1012,
igr2=1020,1021,
&end
#
# 87 GLY HA+ 84 ASP HB- 5.00 (# 562:20 Unique 2.67, 4.37 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1395,1396,
igr2=1359,1360,
&end
#
# 97 LEU HA 97 LEU HB- 3.50 (# 566:20 Unique 2.44, 2.78 A)
&rst
ixpk= 566, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,
&end
#
# 105 VAL MGY 44 PHE HB+ 3.00 (# 583:20 Unique 2.37, 5.33 A)
&rst
ixpk= 583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1664,1665,1666,1668,1669,1670,
igr2= 710, 711,
&end
#
# 89 ASP HA 89 ASP HB+ 3.00 (# 584:20 Unique 2.34, 2.76 A)
&rst
ixpk= 584, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1426,1427,
&end
#
# 89 ASP HA 89 ASP HB- 3.00 (# 585:20 Unique 2.34, 2.76 A)
&rst
ixpk= 585, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1426,1427,
&end
#
# 82 VAL MGX 93 TYR HB+ 3.00 (# 592:20 Unique 2.65, 5.87 A)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1478,1479,
&end
#
# 82 VAL MGX 93 TYR HB- 4.00 (# 593:20 Unique 2.65, 5.87 A)
&rst
ixpk= 593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1478,1479,
&end
#
# 0 AMB 20-2:607 0 AMB 20-1:607 3.00 (# 607:20 Double 0.00, 0.00 )
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1688, 23,
igr2=1690,1691,1934,1935,
&end
#
# 107 ASP HA 107 ASP HB- 3.00 (# 608:20 Unique 2.41, 2.78 A)
&rst
ixpk= 608, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1690,1691,
&end
#
# 0 AMB 20-2:612 0 AMB 20-1:612 3.00 (# 612:20 Double 0.00, 0.00 )
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 583,1833,
igr2= 585, 586,1835,1836,
&end
#
# 114 ALA HA 117 LEU HB- 4.30 (# 613:20 Unique 1.98, 3.36 A)
&rst
ixpk= 613, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1835,1836,
&end
#
# 117 LEU MDX 117 LEU HB- 3.00 (# 614:20 Unique 2.08, 3.26 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1840,1841,1842,1844,1845,1846,
igr2=1835,1836,
&end
#
# 117 LEU HG 117 LEU HB+ 3.00 (# 618:20 Unique 2.40, 2.76 A)
&rst
ixpk= 618, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1835,1836,
&end
#
# 114 ALA HA 117 LEU HB+ 4.00 (# 619:20 Unique 1.98, 3.36 A)
&rst
ixpk= 619, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1835,1836,
&end
#
# 117 LEU HA 117 LEU HB+ 3.50 (# 620:20 Unique 2.48, 2.78 A)
&rst
ixpk= 620, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1835,1836,
&end
#
# 117 LEU MDX 117 LEU HB+ 3.00 (# 622:20 Unique 2.08, 3.26 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1840,1841,1842,1844,1845,1846,
igr2=1835,1836,
&end
#
# 4 VAL MGX 122 ARG HD+ 3.00 (# 627:20 Unique 2.10, 4.66 A)
&rst
ixpk= 627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 48, 49, 50, 52, 53, 54,
igr2=1934,1935,
&end
#
# 111 GLU HG+ 107 ASP HB- 4.50 (# 629:20 Unique 2.73, 4.08 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1748,1749,
igr2=1690,1691,
&end
#
# 36 LEU HA 36 LEU HB+ 4.00 (# 630:20 Unique 2.35, 2.75 A)
&rst
ixpk= 630, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 585, 586,
&end
#
# 36 LEU MDX 36 LEU HB+ 3.80 (# 632:20 Unique 1.94, 3.22 A)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 590, 591, 592, 594, 595, 596,
igr2= 585, 586,
&end
#
# 36 LEU MDY 36 LEU HB+ 3.00 (# 633:20 Unique 1.94, 3.22 A)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 590, 591, 592, 594, 595, 596,
igr2= 585, 586,
&end
#
# 0 AMB 20-2:637 0 AMB 20-1:637 5.80 (# 637:20 Double 0.00, 0.00 )
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
igr2= 339, 340, 339, 340,
&end
#
# 21 ASP HA 21 ASP HB+ 3.00 (# 638:20 Unique 2.38, 2.75 A)
&rst
ixpk= 638, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 21 ASP HA 21 ASP HB- 3.00 (# 639:20 Unique 2.38, 2.75 A)
&rst
ixpk= 639, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 0 AMB 20-2:640 21 ASP HB- 5.80 (# 640:20 Single 0.00, 0.00 )
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
igr2= 339, 340,
&end
#
# 46 GLY HA+ 103 ILE HB 4.00 (# 650:20 Unique 2.38, 3.85 A)
&rst
ixpk= 650, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 745, 746,
&end
#
# 45 MET HB- 103 ILE HB 4.80 (# 651:20 Unique 4.20, 4.52 A)
&rst
ixpk= 651, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 730, 731,
&end
#
# 102 ALA HA 103 ILE HB 5.00 (# 652:20 Unique 4.30, 4.45 A)
&rst
ixpk= 652, nxpk= 20, iat=1619,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ILE HA 103 ILE HB 3.00 (# 653:20 Unique 2.94, 2.99 A)
&rst
ixpk= 653, nxpk= 20, iat=1629,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 MET HG- 103 ILE HB 3.00 (# 654:20 Unique 1.86, 2.42 A)
&rst
ixpk= 654, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 733, 734,
&end
#
# 45 MET ME 103 ILE HB 3.80 (# 655:20 Unique 1.91, 3.13 A)
&rst
ixpk= 655, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 737, 738, 739,
&end
#
# 103 ILE HG1+ 103 ILE HB 3.00 (# 656:20 Unique 2.47, 2.79 A)
&rst
ixpk= 656, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1637,1638,
&end
#
# 103 ILE QG2 103 ILE HB 3.00 (# 657:20 Unique 2.29, 2.63 A)
&rst
ixpk= 657, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1633,1634,1635,
&end
#
# 108 ASP HA 108 ASP HB- 3.00 (# 660:20 Unique 2.32, 2.81 A)
&rst
ixpk= 660, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1702,1703,
&end
#
# 39 THR MG2 108 ASP HB- 4.00 (# 661:20 Unique 1.95, 3.61 A)
&rst
ixpk= 661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 630, 631, 632,
igr2=1702,1703,
&end
#
# 40 LEU HA 40 LEU HB+ 3.50 (# 662:20 Unique 2.57, 2.82 A)
&rst
ixpk= 662, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:663 0 AMB 20-1:663 3.00 (# 663:20 Double 0.00, 0.00 )
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 647, 648, 649, 651, 652, 653, 645,
igr2= 642, 643, 642, 643,
&end
#
# 0 AMB 20-2:665 40 LEU HB- 3.00 (# 665:20 Single 0.00, 0.00 )
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 647, 648, 649, 651, 652, 653, 645,
igr2= 642, 643,
&end
#
# 40 LEU HA 40 LEU HB- 3.50 (# 666:20 Unique 2.57, 2.82 A)
&rst
ixpk= 666, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:668 40 LEU HB- 5.50 (# 668:20 Single 0.00, 0.00 )
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1716,1717,1718,1080,1081,1082,1084,1085,1086,1304,
1305,1306,1308,1309,1310,
igr2= 642, 643,
&end
#
# 73 GLU HG- 72 ASP HB+ 4.60 (# 670:20 Unique 2.77, 5.97 A)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1188,1189,
igr2=1173,1174,
&end
#
# 72 ASP HA 72 ASP HB+ 3.00 (# 671:20 Unique 2.30, 2.67 A)
&rst
ixpk= 671, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1173,1174,
&end
#
# 72 ASP HA 72 ASP HB- 3.00 (# 672:20 Unique 2.30, 2.67 A)
&rst
ixpk= 672, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1173,1174,
&end
#
# 40 LEU MDX 40 LEU HB- 4.00 (# 677:20 Unique 1.95, 3.31 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 647, 648, 649, 651, 652, 653,
igr2= 642, 643,
&end
#
# 35 TYR HA 35 TYR HB+ 3.00 (# 680:20 Unique 2.24, 2.66 A)
&rst
ixpk= 680, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 564, 565,
&end
#
# 18 ILE QG2 35 TYR HB- 5.00 (# 682:20 Unique 2.49, 4.65 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 287, 288, 289,
igr2= 564, 565,
&end
#
# 104 ASP HA 104 ASP HB+ 3.00 (# 683:20 Unique 2.45, 2.80 A)
&rst
ixpk= 683, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1650,1651,
&end
#
# 103 ILE QG2 104 ASP HB+ 3.00 (# 685:20 Unique 2.29, 3.76 A)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1633,1634,1635,
igr2=1650,1651,
&end
#
# 0 AMB 20-2:688 0 AMB 20-1:688 3.00 (# 688:20 Double 0.00, 0.00 )
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1648, 602,
igr2=1650,1651, 676, 677,
&end
#
# 103 ILE QG2 104 ASP HB- 3.00 (# 690:20 Unique 2.29, 3.76 A)
&rst
ixpk= 690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1633,1634,1635,
igr2=1650,1651,
&end
#
# 103 ILE HB 104 ASP HB- 5.50 (# 691:20 Unique 3.76, 4.89 A)
&rst
ixpk= 691, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1650,1651,
&end
#
# 58 ILE HA 58 ILE HB 3.00 (# 704:20 Unique 2.96, 2.99 A)
&rst
ixpk= 704, nxpk= 20, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 ILE HG1- 58 ILE HB 3.00 (# 705:20 Unique 2.24, 2.49 A)
&rst
ixpk= 705, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 968, 969,
&end
#
# 58 ILE HG1+ 58 ILE HB 3.00 (# 706:20 Unique 2.24, 2.49 A)
&rst
ixpk= 706, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 968, 969,
&end
#
# 58 ILE QG2 58 ILE HB 3.00 (# 707:20 Unique 2.26, 2.63 A)
&rst
ixpk= 707, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 964, 965, 966,
&end
#
# 100 ILE HG1- 100 ILE HB 3.00 (# 715:20 Unique 2.24, 2.72 A)
&rst
ixpk= 715, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 97 LEU HA 100 ILE HB 4.00 (# 717:20 Unique 4.04, 4.22 A)
&rst
ixpk= 717, nxpk= 20, iat=1543,1587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 ILE HG1+ 100 ILE HB 3.00 (# 718:20 Unique 2.24, 2.72 A)
&rst
ixpk= 718, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 100 ILE QG2 100 ILE HB 3.00 (# 719:20 Unique 2.38, 2.63 A)
&rst
ixpk= 719, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1589,1590,1591,
&end
#
# 100 ILE QD1 100 ILE HB 3.00 (# 720:20 Unique 2.06, 3.20 A)
&rst
ixpk= 720, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1596,1597,1598,
&end
#
# 14 ILE HA 14 ILE HB 4.00 (# 721:20 Unique 2.69, 2.81 A)
&rst
ixpk= 721, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE QD1 14 ILE HB 3.00 (# 722:20 Unique 2.38, 3.24 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 231, 232, 233,
&end
#
# 14 ILE QG2 14 ILE HB 3.00 (# 723:20 Unique 2.32, 2.63 A)
&rst
ixpk= 723, nxpk= 20, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 224, 225, 226,
&end
#
# 11 GLU HA 14 ILE HB 5.00 (# 724:20 Unique 3.50, 4.19 A)
&rst
ixpk= 724, nxpk= 20, iat= 164, 222, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 ASP HA 71 ASP HB+ 3.00 (# 725:20 Unique 2.35, 2.56 A)
&rst
ixpk= 725, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1161,1162,
&end
#
# 71 ASP HA 71 ASP HB- 3.00 (# 727:20 Unique 2.35, 2.56 A)
&rst
ixpk= 727, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1161,1162,
&end
#
# 113 ILE QG2 113 ILE HB 3.00 (# 736:20 Unique 2.22, 2.63 A)
&rst
ixpk= 736, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1772,1773,1774,
&end
#
# 113 ILE HG1- 113 ILE HB 3.00 (# 737:20 Unique 2.66, 2.84 A)
&rst
ixpk= 737, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1776,1777,
&end
#
# 113 ILE QD1 113 ILE HB 3.00 (# 738:20 Unique 2.03, 2.89 A)
&rst
ixpk= 738, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1779,1780,1781,
&end
#
# 85 ILE HA 85 ILE HB 3.00 (# 742:20 Unique 2.48, 2.50 A)
&rst
ixpk= 742, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 ILE HG1- 85 ILE HB 3.00 (# 743:20 Unique 2.47, 2.76 A)
&rst
ixpk= 743, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1377,1378,
&end
#
# 85 ILE HG1+ 85 ILE HB 3.00 (# 744:20 Unique 2.47, 2.76 A)
&rst
ixpk= 744, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1377,1378,
&end
#
# 85 ILE QG2 85 ILE HB 3.00 (# 745:20 Unique 2.23, 2.63 A)
&rst
ixpk= 745, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1373,1374,1375,
&end
#
# 14 ILE HA 18 ILE HB 4.00 (# 750:20 Unique 2.94, 3.68 A)
&rst
ixpk= 750, nxpk= 20, iat= 220, 285, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 ILE HG1+ 18 ILE HB 4.00 (# 751:20 Unique 2.31, 2.71 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 291, 292,
&end
#
# 18 ILE QD1 18 ILE HB 4.00 (# 752:20 Unique 2.35, 3.23 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 294, 295, 296,
&end
#
# 18 ILE HG1- 18 ILE HB 3.50 (# 753:20 Unique 2.31, 2.71 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 291, 292,
&end
#
# 18 ILE QG2 18 ILE HB 3.00 (# 754:20 Unique 2.26, 2.63 A)
&rst
ixpk= 754, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 287, 288, 289,
&end
#
# 34 TYR HA 34 TYR HB+ 3.00 (# 757:20 Unique 2.64, 2.82 A)
&rst
ixpk= 757, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 543, 544,
&end
#
# 34 TYR HA 34 TYR HB- 3.50 (# 760:20 Unique 2.64, 2.82 A)
&rst
ixpk= 760, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 543, 544,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 3.00 (# 762:20 Double 0.00, 0.00 )
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 394, 395,1211,1212,
igr2= 413, 414, 413, 414,
&end
#
# 25 LYS HG- 26 GLU HG+ 3.00 (# 763:20 Unique 2.09, 3.53 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 391, 392,
igr2= 413, 414,
&end
#
# 19 ILE QG2 19 ILE HB 3.00 (# 764:20 Unique 2.27, 2.63 A)
&rst
ixpk= 764, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 306, 307, 308,
&end
#
# 25 LYS HE+ 26 GLU HG+ 4.00 (# 766:20 Unique 2.59, 4.41 A)
&rst
ixpk= 766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 397, 398,
igr2= 413, 414,
&end
#
# 26 GLU HA 26 GLU HG+ 3.00 (# 767:20 Unique 2.20, 2.84 A)
&rst
ixpk= 767, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 413, 414,
&end
#
# 19 ILE HG1- 19 ILE HB 3.00 (# 768:20 Unique 2.25, 2.60 A)
&rst
ixpk= 768, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 310, 311,
&end
#
# 22 ALA MB 19 ILE HB 3.60 (# 769:20 Unique 1.96, 3.00 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 351, 352, 353,
&end
#
# 47 LYS HE+ 60 GLU HG+ 5.00 (# 770:20 Unique 3.83, 6.36 A)
&rst
ixpk= 770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 763, 764,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:771 0 AMB 20-1:771 5.00 (# 771:20 Double 0.00, 0.00 )
&rst
ixpk= 771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 803, 804, 822, 823,
igr2= 999,1000, 999,1000,
&end
#
# 66 LEU HA 64 GLU HG+ 5.00 (# 772:20 Unique 4.13, 4.68 A)
&rst
ixpk= 772, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1066,1067,
&end
#
# 47 LYS HE+ 60 GLU HG- 5.00 (# 773:20 Unique 3.83, 6.36 A)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 763, 764,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:774 0 AMB 20-1:774 5.30 (# 774:20 Double 0.00, 0.00 )
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1= 803, 804,1094,1095,1377,1378,
igr2= 999,1000,1066,1067,
&end
#
# 22 ALA MB 27 GLU HG- 5.60 (# 777:20 Unique 4.16, 5.32 A)
&rst
ixpk= 777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 351, 352, 353,
igr2= 428, 429,
&end
#
# 27 GLU HA 27 GLU HG- 3.00 (# 778:20 Unique 3.16, 3.50 A)
&rst
ixpk= 778, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 428, 429,
&end
#
# 0 AMB 20-2:779 27 GLU HG- 3.00 (# 779:20 Single 0.00, 0.00 )
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 425, 426, 410, 411,
igr2= 428, 429,
&end
#
# 47 LYS HG+ 60 GLU HG+ 4.00 (# 781:20 Unique 2.48, 3.91 A)
&rst
ixpk= 781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 757, 758,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:782 0 AMB 20-1:782 3.00 (# 782:20 Double 0.00, 0.00 )
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1063,1064, 754, 755,
igr2=1066,1067, 999,1000,
&end
#
# 0 AMB 20-2:783 0 AMB 20-1:783 3.00 (# 783:20 Double 0.00, 0.00 )
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 964, 965, 966,1099,1100,1101,1103,1104,1105,1099,
1100,1101,1103,1104,1105,
igr2= 999,1000,1066,1067,1066,1067,
&end
#
# 0 AMB 20-2:784 0 AMB 20-1:784 3.00 (# 784:20 Double 0.00, 0.00 )
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 964, 965, 966,1099,1100,1101,1103,1104,1105,1099,
1100,1101,1103,1104,1105,
igr2= 999,1000,1066,1067,
&end
#
# 24 ASP HB+ 27 GLU HG+ 3.80 (# 786:20 Unique 1.99, 2.89 A)
&rst
ixpk= 786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 376, 377,
igr2= 428, 429,
&end
#
# 69 ALA HA 81 GLU HG+ 4.00 (# 788:20 Unique 2.32, 3.60 A)
&rst
ixpk= 788, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1321,1322,
&end
#
# 70 PRO HD- 81 GLU HG+ 5.50 (# 789:20 Unique 3.64, 4.92 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1144,1145,
igr2=1321,1322,
&end
#
# 69 ALA HA 81 GLU HG- 3.00 (# 790:20 Unique 2.32, 3.60 A)
&rst
ixpk= 790, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1321,1322,
&end
#
# 0 AMB 20-2:791 81 GLU HG- 4.40 (# 791:20 Single 0.00, 0.00 )
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1321,1322,
&end
#
# 69 ALA MB 81 GLU HG- 4.00 (# 792:20 Unique 2.02, 4.56 A)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1137,1138,1139,
igr2=1321,1322,
&end
#
# 14 ILE QG2 15 GLU HG+ 5.00 (# 795:20 Unique 5.53, 6.58 A)
&rst
ixpk= 795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 224, 225, 226,
igr2= 244, 245,
&end
#
# 12 HIS HA 15 GLU HG+ 4.50 (# 796:20 Unique 3.42, 4.24 A)
&rst
ixpk= 796, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 244, 245,
&end
#
# 15 GLU HA 15 GLU HG+ 4.00 (# 797:20 Unique 2.80, 3.30 A)
&rst
ixpk= 797, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 244, 245,
&end
#
# 15 GLU HB- 15 GLU HG+ 3.00 (# 798:20 Unique 2.28, 2.72 A)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 241, 242,
igr2= 244, 245,
&end
#
# 16 THR MG2 15 GLU HG+ 3.00 (# 799:20 Unique 1.98, 3.19 A)
&rst
ixpk= 799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 258, 259, 260,
igr2= 244, 245,
&end
#
# 4 VAL HA 5 GLU HG- 7.00 (# 800:20 Unique 4.59, 5.75 A)
&rst
ixpk= 800, nxpk= 20, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 65, 66,
&end
#
# 5 GLU HA 5 GLU HG- 5.00 (# 801:20 Unique 2.39, 3.72 A)
&rst
ixpk= 801, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 65, 66,
&end
#
# 5 GLU HB+ 5 GLU HG- 4.00 (# 803:20 Unique 2.21, 2.67 A)
&rst
ixpk= 803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 62, 63,
igr2= 65, 66,
&end
#
# 5 GLU HB- 5 GLU HG- 4.00 (# 804:20 Unique 2.21, 2.67 A)
&rst
ixpk= 804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 62, 63,
igr2= 65, 66,
&end
#
# 5 GLU HA 5 GLU HG+ 5.00 (# 805:20 Unique 2.39, 3.72 A)
&rst
ixpk= 805, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 65, 66,
&end
#
# 3 SER HB+ 5 GLU HG+ 7.00 (# 806:20 Unique 3.75, 6.05 A)
&rst
ixpk= 806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 35, 36,
igr2= 65, 66,
&end
#
# 0 AMB 20-2:807 0 AMB 20-1:807 4.10 (# 807:20 Double 0.00, 0.00 )
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 359, 337,
igr2= 364, 365, 364, 365,
&end
#
# 0 AMB 20-2:809 0 AMB 20-1:809 4.10 (# 809:20 Double 0.00, 0.00 )
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 361, 362, 62, 63,
igr2= 364, 365, 65, 66,
&end
#
# 16 THR MG2 15 GLU HG- 3.00 (# 810:20 Unique 1.98, 3.19 A)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 258, 259, 260,
igr2= 244, 245,
&end
#
# 0 AMB 20-2:812 0 AMB 20-1:812 3.60 (# 812:20 Double 0.00, 0.00 )
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 359, 268,
igr2= 364, 365, 273, 274,
&end
#
# 63 VAL MGY 63 VAL HB 3.00 (# 814:20 Unique 2.22, 2.63 A)
&rst
ixpk= 814, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL MGX 63 VAL HB 3.00 (# 815:20 Unique 2.22, 2.63 A)
&rst
ixpk= 815, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:824 0 AMB 20-1:824 3.60 (# 824:20 Double 0.00, 0.00 )
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1183, 979,
igr2=1188,1189, 984, 985,
&end
#
# 0 AMB 20-2:825 0 AMB 20-1:825 3.00 (# 825:20 Double 0.00, 0.00 )
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 877, 878, 981, 982, 270, 271,
igr2= 984, 985, 984, 985, 273, 274,
&end
#
# 0 AMB 20-2:826 0 AMB 20-1:826 4.10 (# 826:20 Double 0.00, 0.00 )
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1137,1138,1139, 925, 926, 927,
igr2=1188,1189, 984, 985,
&end
#
# 0 AMB 20-2:828 0 AMB 20-1:828 4.00 (# 828:20 Double 0.00, 0.00 )
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 864, 268,
igr2= 984, 985, 273, 274,
&end
#
# 0 AMB 20-2:829 59 GLU HG- 5.00 (# 829:20 Single 0.00, 0.00 )
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 925, 926, 927, 950, 951, 952,
igr2= 984, 985,
&end
#
# 59 GLU HA 59 GLU HG- 3.80 (# 830:20 Unique 2.24, 2.99 A)
&rst
ixpk= 830, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:831 59 GLU HG- 3.00 (# 831:20 Single 0.00, 0.00 )
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 877, 878, 981, 982,
igr2= 984, 985,
&end
#
# 0 AMB 20-2:836 0 AMB 20-1:836 4.80 (# 836:20 Double 0.00, 0.00 )
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
igr1=1099,1100,1101,1103,1104,1105,1097,
igr2= 699, 700, 699, 700,
&end
#
# 43 PRO HD+ 43 PRO HB+ 4.50 (# 837:20 Unique 2.98, 3.70 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 699, 700,
&end
#
# 41 GLU HA 41 GLU HG+ 4.20 (# 839:20 Unique 3.55, 3.75 A)
&rst
ixpk= 839, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 664, 665,
&end
#
# 41 GLU HB- 41 GLU HG+ 3.20 (# 841:20 Unique 2.21, 2.70 A)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 661, 662,
igr2= 664, 665,
&end
#
# 109 THR MG2 41 GLU HG+ 4.20 (# 843:20 Unique 1.97, 4.45 A)
&rst
ixpk= 843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1716,1717,1718,
igr2= 664, 665,
&end
#
# 52 SER HB+ 59 GLU HG+ 6.00 (# 844:20 Unique 2.22, 5.53 A)
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 866, 867,
igr2= 984, 985,
&end
#
# 63 VAL MGY 61 LYS HB- 3.00 (# 846:20 Unique 2.95, 5.23 A)
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1011,1012,
&end
#
# 125 LYS HG+ 125 LYS HB+ 3.00 (# 848:20 Unique 2.21, 2.63 A)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1983,1984,
igr2=1980,1981,
&end
#
# 125 LYS HG+ 125 LYS HB- 3.00 (# 850:20 Unique 2.21, 2.63 A)
&rst
ixpk= 850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1983,1984,
igr2=1980,1981,
&end
#
# 48 TRP HB+ 61 LYS HB- 3.50 (# 852:20 Unique 1.91, 2.86 A)
&rst
ixpk= 852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 776, 777,
igr2=1011,1012,
&end
#
# 61 LYS HE- 61 LYS HB- 3.50 (# 853:20 Unique 2.29, 2.82 A)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1020,1021,
igr2=1011,1012,
&end
#
# 61 LYS HD+ 61 LYS HB- 3.00 (# 855:20 Unique 2.34, 3.34 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1017,1018,
igr2=1011,1012,
&end
#
# 61 LYS HG- 61 LYS HB- 3.00 (# 856:20 Unique 2.23, 2.70 A)
&rst
ixpk= 856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1014,1015,
igr2=1011,1012,
&end
#
# 84 ASP HB- 61 LYS HB- 6.40 (# 857:20 Unique 5.49, 7.00 A)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1=1359,1360,
igr2=1011,1012,
&end
#
# 48 TRP HB+ 61 LYS HB+ 3.80 (# 860:20 Unique 1.91, 2.86 A)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 776, 777,
igr2=1011,1012,
&end
#
# 61 LYS HE- 61 LYS HB+ 3.50 (# 861:20 Unique 2.29, 2.82 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1020,1021,
igr2=1011,1012,
&end
#
# 61 LYS HG- 61 LYS HB+ 3.00 (# 864:20 Unique 2.23, 2.70 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1014,1015,
igr2=1011,1012,
&end
#
# 63 VAL MGY 61 LYS HB+ 4.80 (# 865:20 Unique 2.95, 5.23 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1011,1012,
&end
#
# 50 LYS HG+ 61 LYS HB+ 6.00 (# 866:20 Unique 5.65, 6.67 A)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 825, 826,
igr2=1011,1012,
&end
#
# 63 VAL MGX 61 LYS HB+ 4.00 (# 873:20 Unique 2.95, 5.23 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1011,1012,
&end
#
# 8 GLU HA 8 GLU HG+ 4.00 (# 876:20 Unique 2.61, 3.15 A)
&rst
ixpk= 876, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 116, 117,
&end
#
# 8 GLU HB- 8 GLU HG+ 3.00 (# 877:20 Unique 2.21, 2.69 A)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 113, 114,
igr2= 116, 117,
&end
#
# 63 VAL MGY 82 VAL HB 4.00 (# 878:20 Unique 2.00, 4.44 A)
&rst
ixpk= 878, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:879 0 AMB 20-1:879 4.00 (# 879:20 Double 0.00, 0.00 )
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 241, 242, 113, 114,
igr2= 169, 170, 169, 170,
&end
#
# 8 GLU HA 11 GLU HG- 4.00 (# 880:20 Unique 3.05, 4.36 A)
&rst
ixpk= 880, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 169, 170,
&end
#
# 0 AMB 20-2:882 82 VAL HB 3.00 (# 882:20 Single 0.00, 0.00 )
&rst
ixpk= 882, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
1085,1086,
&end
#
# 82 VAL MGX 82 VAL HB 3.00 (# 883:20 Unique 2.22, 2.63 A)
&rst
ixpk= 883, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:884 0 AMB 20-1:884 4.00 (# 884:20 Double 0.00, 0.00 )
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 590, 591, 592, 594, 595, 596,1267,1268,
igr2=1264,1265,1264,1265,
&end
#
# 8 GLU HA 11 GLU HG+ 5.00 (# 892:20 Unique 3.05, 4.36 A)
&rst
ixpk= 892, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 169, 170,
&end
#
# 76 LYS HG+ 76 LYS HB+ 3.00 (# 893:20 Unique 2.21, 2.67 A)
&rst
ixpk= 893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1233,1234,
igr2=1230,1231,
&end
#
# 76 LYS HE+ 76 LYS HB+ 4.00 (# 894:20 Unique 2.01, 3.23 A)
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1239,1240,
igr2=1230,1231,
&end
#
# 80 VAL MGX 80 VAL HB 3.00 (# 895:20 Unique 2.22, 2.63 A)
&rst
ixpk= 895, nxpk= 20, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 109 THR HB 105 VAL HB 4.50 (# 896:20 Unique 1.96, 2.17 A)
&rst
ixpk= 896, nxpk= 20, iat=1714,1662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 VAL MGY 105 VAL HB 3.00 (# 900:20 Unique 2.27, 2.63 A)
&rst
ixpk= 900, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 76 LYS HG+ 76 LYS HB- 3.00 (# 902:20 Unique 2.21, 2.67 A)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1233,1234,
igr2=1230,1231,
&end
#
# 47 LYS HE+ 47 LYS HB+ 4.00 (# 903:20 Unique 2.79, 4.20 A)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 763, 764,
igr2= 754, 755,
&end
#
# 46 GLY HA+ 47 LYS HB- 5.50 (# 906:20 Unique 4.12, 5.11 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 745, 746,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:907 47 LYS HB- 3.30 (# 907:20 Single 0.00, 0.00 )
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1606,1607, 999,1000,
igr2= 754, 755,
&end
#
# 47 LYS HG+ 47 LYS HB- 3.00 (# 908:20 Unique 2.30, 2.56 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 754, 755,
&end
#
# 4 VAL HA 4 VAL HB 3.00 (# 920:20 Unique 2.44, 2.87 A)
&rst
ixpk= 920, nxpk= 20, iat= 44, 46, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 121 ALA MB 4 VAL HB 5.70 (# 922:20 Unique 4.39, 6.30 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1918,1919,1920,
&end
#
# 0 AMB 20-2:923 4 VAL HB 3.00 (# 923:20 Single 0.00, 0.00 )
&rst
ixpk= 923, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 48, 49, 50, 52, 53, 54,1931,1932,
&end
#
# 0 AMB 20-2:924 92 VAL HB 3.00 (# 924:20 Single 0.00, 0.00 )
&rst
ixpk= 924, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 30 MET HA 30 MET HB+ 4.00 (# 934:20 Unique 2.40, 2.73 A)
&rst
ixpk= 934, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 474, 475,
&end
#
# 30 MET ME 30 MET HB+ 4.00 (# 935:20 Unique 3.72, 4.57 A)
&rst
ixpk= 935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 481, 482, 483,
igr2= 474, 475,
&end
#
# 30 MET HA 30 MET HB- 4.00 (# 936:20 Unique 2.40, 2.73 A)
&rst
ixpk= 936, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 474, 475,
&end
#
# 110 GLN HA 110 GLN HG+ 3.00 (# 937:20 Unique 2.24, 3.16 A)
&rst
ixpk= 937, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1731,1732,
&end
#
# 110 GLN HB+ 110 GLN HG+ 3.00 (# 938:20 Unique 2.23, 2.56 A)
&rst
ixpk= 938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1728,1729,
igr2=1731,1732,
&end
#
# 102 ALA MB 110 GLN HG+ 4.00 (# 939:20 Unique 1.97, 4.17 A)
&rst
ixpk= 939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1621,1622,1623,
igr2=1731,1732,
&end
#
# 105 VAL MGX 110 GLN HG+ 3.00 (# 940:20 Unique 2.65, 5.34 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1731,1732,
&end
#
# 0 AMB 20-2:941 0 AMB 20-1:941 5.00 (# 941:20 Double 0.00, 0.00 )
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1688,1629,
igr2=1731,1732,1731,1732,
&end
#
# 114 ALA MB 110 GLN HG+ 5.00 (# 942:20 Unique 4.13, 5.89 A)
&rst
ixpk= 942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1789,1790,1791,
igr2=1731,1732,
&end
#
# 50 LYS HA 50 LYS HB+ 3.00 (# 943:20 Unique 2.46, 2.78 A)
&rst
ixpk= 943, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 50 LYS HD+ 50 LYS HB+ 3.00 (# 945:20 Unique 2.03, 3.17 A)
&rst
ixpk= 945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 828, 829,
igr2= 822, 823,
&end
#
# 50 LYS HA 50 LYS HB- 3.00 (# 946:20 Unique 2.46, 2.78 A)
&rst
ixpk= 946, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 50 LYS HE+ 50 LYS HB- 4.40 (# 947:20 Unique 2.24, 3.48 A)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 831, 832,
igr2= 822, 823,
&end
#
# 30 MET HG+ 30 MET HB+ 3.00 (# 952:20 Unique 2.38, 2.57 A)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET HG- 30 MET HB+ 3.00 (# 953:20 Unique 2.38, 2.57 A)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET HG+ 30 MET HB- 3.00 (# 955:20 Unique 2.38, 2.57 A)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET HG- 30 MET HB- 3.00 (# 956:20 Unique 2.38, 2.57 A)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET ME 30 MET HB- 4.00 (# 957:20 Unique 3.72, 4.57 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 481, 482, 483,
igr2= 474, 475,
&end
#
# 50 LYS HE+ 50 LYS HB+ 4.00 (# 962:20 Unique 2.24, 3.48 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 831, 832,
igr2= 822, 823,
&end
#
# 125 LYS HB- 124 TYR HB- 7.50 (# 964:20 Unique 3.84, 5.90 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1=1980,1981,
igr2=1959,1960,
&end
#
# 85 ILE QD1 45 MET HB- 4.00 (# 967:20 Unique 2.25, 3.83 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1380,1381,1382,
igr2= 730, 731,
&end
#
# 45 MET HG+ 45 MET HB- 3.00 (# 968:20 Unique 2.21, 2.68 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 0 AMB 20-2:969 45 MET HB- 4.80 (# 969:20 Single 0.00, 0.00 )
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1631, 760, 761,
igr2= 730, 731,
&end
#
# 0 AMB 20-2:970 0 AMB 20-1:970 5.50 (# 970:20 Double 0.00, 0.00 )
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1035,1036,1037,1377,1378,
igr2= 730, 731, 730, 731,
&end
#
# 54 LYS HA 54 LYS HB+ 3.00 (# 972:20 Unique 2.33, 2.74 A)
&rst
ixpk= 972, nxpk= 20, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 901, 902,
&end
#
# 55 THR MG2 54 LYS HB+ 5.00 (# 976:20 Unique 3.31, 5.13 A)
&rst
ixpk= 976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 925, 926, 927,
igr2= 901, 902,
&end
#
# 51 LYS HG+ 51 LYS HB+ 3.00 (# 977:20 Unique 2.21, 2.65 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 847, 848,
igr2= 844, 845,
&end
#
# 51 LYS HA 51 LYS HB- 3.00 (# 978:20 Unique 2.29, 2.81 A)
&rst
ixpk= 978, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 844, 845,
&end
#
# 51 LYS HG+ 51 LYS HB- 3.00 (# 979:20 Unique 2.21, 2.65 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 847, 848,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:980 51 LYS HB- 6.00 (# 980:20 Single 0.00, 0.00 )
&rst
ixpk= 980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1= 937, 938, 937, 938, 820,
igr2= 844, 845,
&end
#
# 58 ILE HG1+ 51 LYS HB- 6.00 (# 981:20 Unique 2.12, 5.84 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 968, 969,
igr2= 844, 845,
&end
#
# 45 MET HG- 45 MET HB- 3.00 (# 986:20 Unique 2.21, 2.68 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 45 MET HG+ 45 MET HB+ 3.00 (# 987:20 Unique 2.21, 2.68 A)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 45 MET HG- 45 MET HB+ 3.00 (# 988:20 Unique 2.21, 2.68 A)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 25 LYS HE+ 25 LYS HB+ 4.00 (# 991:20 Unique 1.95, 3.92 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 397, 398,
igr2= 388, 389,
&end
#
# 0 AMB 20-2:992 0 AMB 20-1:992 3.00 (# 992:20 Double 0.00, 0.00 )
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 391, 392,1980,1981,
igr2= 388, 389, 8, 9,
&end
#
# 88 LYS HA 88 LYS HB+ 3.00 (# 993:20 Unique 2.28, 2.65 A)
&rst
ixpk= 993, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1404,1405,
&end
#
# 88 LYS HE+ 88 LYS HB+ 3.70 (# 994:20 Unique 2.00, 3.52 A)
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1413,1414,
igr2=1404,1405,
&end
#
# 91 ASP HB+ 88 LYS HB+ 4.00 (# 995:20 Unique 1.93, 3.54 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1450,1451,
igr2=1404,1405,
&end
#
# 88 LYS HG+ 88 LYS HB+ 3.00 (# 996:20 Unique 2.22, 2.60 A)
&rst
ixpk= 996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1407,1408,
igr2=1404,1405,
&end
#
# 0 AMB 20-2:997 0 AMB 20-1:997 3.00 (# 997:20 Double 0.00, 0.00 )
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 904, 905,1407,1408,
igr2= 901, 902,1404,1405,
&end
#
# 54 LYS HE+ 54 LYS HB- 3.80 (# 998:20 Unique 2.09, 3.36 A)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 910, 911,
igr2= 901, 902,
&end
#
# 91 ASP HB+ 88 LYS HB- 3.00 (# 999:20 Unique 1.93, 3.54 A)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1450,1451,
igr2=1404,1405,
&end
#
# 88 LYS HA 88 LYS HB- 3.00 (# 1000:20 Unique 2.28, 2.65 A)
&rst
ixpk= 1000, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1404,1405,
&end
#
# 45 MET HB- 45 MET HG+ 3.00 (# 1005:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 730, 731,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:1006 0 AMB 20-1:1006 3.60 (# 1006:20 Double 0.00, 0.00 )
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 730, 731, 737, 738, 739,
igr2= 733, 734, 733, 734,
&end
#
# 103 ILE HB 45 MET HG+ 3.50 (# 1007:20 Unique 1.86, 2.42 A)
&rst
ixpk= 1007, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 733, 734,
&end
#
# 103 ILE QG2 45 MET HG+ 3.40 (# 1009:20 Unique 2.05, 3.48 A)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1633,1634,1635,
igr2= 733, 734,
&end
#
# 103 ILE HB 45 MET HG- 3.00 (# 1010:20 Unique 1.86, 2.42 A)
&rst
ixpk= 1010, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 733, 734,
&end
#
# 44 PHE HB- 45 MET HG- 7.00 (# 1011:20 Unique 5.25, 6.48 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 710, 711,
igr2= 733, 734,
&end
#
# 45 MET HB- 45 MET HG- 3.00 (# 1014:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 730, 731,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:1015 45 MET HG- 3.00 (# 1015:20 Single 0.00, 0.00 )
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 730, 731, 737, 738, 739,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:1016 45 MET HG- 5.00 (# 1016:20 Single 0.00, 0.00 )
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1035,1036,1037,1377,1378,
igr2= 733, 734,
&end
#
# 103 ILE QG2 45 MET HG- 3.00 (# 1017:20 Unique 2.05, 3.48 A)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1633,1634,1635,
igr2= 733, 734,
&end
#
# 23 GLU HA 23 GLU HB+ 3.60 (# 1022:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1022, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 361, 362,
&end
#
# 22 ALA HA 23 GLU HB+ 6.40 (# 1023:20 Unique 4.60, 5.26 A)
&rst
ixpk= 1023, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 361, 362,
&end
#
# 23 GLU HA 23 GLU HB- 3.60 (# 1025:20 Unique 2.39, 2.73 A)
&rst
ixpk= 1025, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 361, 362,
&end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 3.40 (# 1026:20 Double 0.00, 0.00 )
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1589,1590,1591, 964, 965, 966,
igr2=1523,1524, 800, 801,
&end
#
# 49 LYS HA 49 LYS HB- 3.00 (# 1030:20 Unique 2.30, 2.67 A)
&rst
ixpk= 1030, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 800, 801,
&end
#
# 49 LYS HG- 49 LYS HB- 3.00 (# 1031:20 Unique 2.24, 2.58 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 803, 804,
igr2= 800, 801,
&end
#
# 58 ILE QG2 49 LYS HB- 3.00 (# 1032:20 Unique 1.96, 3.85 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 964, 965, 966,
igr2= 800, 801,
&end
#
# 1 MET HA 1 MET HG- 4.00 (# 1034:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1034, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 11, 12,
&end
#
# 23 GLU HG+ 23 GLU HB+ 3.60 (# 1036:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1036, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 364, 365,
igr2= 361, 362,
&end
#
# 85 ILE QG2 64 GLU HB+ 3.00 (# 1038:20 Unique 2.06, 3.00 A)
&rst
ixpk= 1038, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1373,1374,1375,
igr2=1063,1064,
&end
#
# 78 MET ME 78 MET HG+ 4.00 (# 1040:20 Unique 2.17, 3.61 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1271,1272,1273,
igr2=1267,1268,
&end
#
# 78 MET HB- 78 MET HG+ 3.00 (# 1041:20 Unique 2.27, 2.57 A)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 78 MET HB- 78 MET HG- 3.00 (# 1043:20 Unique 2.27, 2.57 A)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 1 MET HA 1 MET HG+ 4.00 (# 1044:20 Unique 2.30, 3.29 A)
&rst
ixpk= 1044, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 11, 12,
&end
#
# 0 AMB 20-2:1049 0 AMB 20-1:1049 4.00 (# 1049:20 Double 0.00, 0.00 )
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,1589,1590,1591,
igr2=1063,1064,1063,1064,1606,1607,
&end
#
# 0 AMB 20-2:1051 64 GLU HB- 3.50 (# 1051:20 Single 0.00, 0.00 )
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,
igr2=1063,1064,
&end
#
# 85 ILE QG2 64 GLU HB- 3.00 (# 1052:20 Unique 2.06, 3.00 A)
&rst
ixpk= 1052, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1373,1374,1375,
igr2=1063,1064,
&end
#
# 78 MET ME 78 MET HG- 4.00 (# 1053:20 Unique 2.17, 3.61 A)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1271,1272,1273,
igr2=1267,1268,
&end
#
# 49 LYS HE+ 101 GLU HB+ 5.00 (# 1056:20 Unique 3.32, 5.00 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 809, 810,
igr2=1606,1607,
&end
#
# 49 LYS HE+ 101 GLU HB- 5.00 (# 1057:20 Unique 3.32, 5.00 A)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 809, 810,
igr2=1606,1607,
&end
#
# 47 LYS HE+ 60 GLU HB+ 4.00 (# 1059:20 Unique 1.93, 5.20 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 763, 764,
igr2= 996, 997,
&end
#
# 47 LYS HG+ 60 GLU HB+ 3.00 (# 1060:20 Unique 1.84, 3.26 A)
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 996, 997,
&end
#
# 50 LYS HB+ 59 GLU HB+ 3.80 (# 1061:20 Unique 1.93, 3.36 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 822, 823,
igr2= 981, 982,
&end
#
# 59 GLU HA 59 GLU HB+ 3.00 (# 1062:20 Unique 2.57, 2.82 A)
&rst
ixpk= 1062, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 981, 982,
&end
#
# 59 GLU HA 59 GLU HB- 3.00 (# 1063:20 Unique 2.57, 2.82 A)
&rst
ixpk= 1063, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 981, 982,
&end
#
# 63 VAL MGX 48 TRP HB+ 3.30 (# 1067:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 63 VAL MGY 48 TRP HB+ 5.00 (# 1069:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 63 VAL MGY 48 TRP HB- 5.00 (# 1071:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 63 VAL MGX 48 TRP HB- 4.00 (# 1072:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 63 VAL MGY 48 TRP HB+ 5.00 (# 1079:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 100 ILE QD1 48 TRP HB+ 4.00 (# 1080:20 Unique 1.80, 4.20 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1596,1597,1598,
igr2= 776, 777,
&end
#
# 100 ILE QD1 48 TRP HB- 5.00 (# 1082:20 Unique 1.80, 4.20 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1596,1597,1598,
igr2= 776, 777,
&end
#
# 6 ARG HD+ 6 ARG HB+ 3.00 (# 1083:20 Unique 2.08, 3.34 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 6 ARG HD- 6 ARG HB+ 4.00 (# 1084:20 Unique 2.08, 3.34 A)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 6 ARG HG+ 6 ARG HB- 3.00 (# 1085:20 Unique 2.26, 2.63 A)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 80, 81,
igr2= 77, 78,
&end
#
# 6 ARG HA 6 ARG HB- 3.00 (# 1086:20 Unique 2.24, 2.46 A)
&rst
ixpk= 1086, nxpk= 20, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 77, 78,
&end
#
# 6 ARG HD+ 6 ARG HB- 4.00 (# 1087:20 Unique 2.08, 3.34 A)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 5 GLU HA 6 ARG HB- 6.00 (# 1088:20 Unique 4.19, 5.00 A)
&rst
ixpk= 1088, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 77, 78,
&end
#
# 6 ARG HD- 6 ARG HB- 3.00 (# 1089:20 Unique 2.08, 3.34 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 20 VAL HA 20 VAL HB 4.00 (# 1098:20 Unique 2.68, 2.99 A)
&rst
ixpk= 1098, nxpk= 20, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1099 20 VAL HB 4.00 (# 1099:20 Single 0.00, 0.00 )
&rst
ixpk= 1099, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 0 AMB 20-2:1100 0 AMB 20-1:1100 4.00 (# 1100:20 Double 0.00, 0.00 )
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1318,1319,1318,1319,
&end
#
# 0 AMB 20-2:1102 81 GLU HB- 3.00 (# 1102:20 Single 0.00, 0.00 )
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1318,1319,
&end
#
# 0 AMB 20-2:1115 0 AMB 20-1:1115 3.00 (# 1115:20 Double 0.00, 0.00 )
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 239, 423,
igr2= 241, 242, 425, 426,
&end
#
# 22 ALA MB 27 GLU HB+ 3.60 (# 1116:20 Unique 1.88, 3.19 A)
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 351, 352, 353,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:1117 0 AMB 20-1:1117 4.00 (# 1117:20 Double 0.00, 0.00 )
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 258, 259, 260, 313, 314, 315,
igr2= 241, 242, 241, 242,
&end
#
# 5 GLU HA 5 GLU HB+ 4.00 (# 1118:20 Unique 2.35, 2.48 A)
&rst
ixpk= 1118, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 62, 63,
&end
#
# 22 ALA MB 27 GLU HB- 3.60 (# 1120:20 Unique 1.88, 3.19 A)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 351, 352, 353,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:1121 0 AMB 20-1:1121 3.00 (# 1121:20 Double 0.00, 0.00 )
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 239, 423,
igr2= 241, 242, 425, 426,
&end
#
# 0 AMB 20-2:1122 15 GLU HB- 3.00 (# 1122:20 Single 0.00, 0.00 )
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 258, 259, 260, 313, 314, 315,
igr2= 241, 242,
&end
#
# 113 ILE HA 113 ILE HG1+ 3.50 (# 1123:20 Unique 2.16, 2.73 A)
&rst
ixpk= 1123, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 0 AMB 20-2:1125 0 AMB 20-1:1125 3.00 (# 1125:20 Double 0.00, 0.00 )
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1779,1780,1781,1589,1590,1591,
igr2=1776,1777,1776,1777,
&end
#
# 0 AMB 20-2:1126 5 GLU HB- 4.00 (# 1126:20 Single 0.00, 0.00 )
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 65, 66, 65, 66,
igr2= 62, 63,
&end
#
# 5 GLU HA 5 GLU HB- 4.00 (# 1128:20 Unique 2.35, 2.48 A)
&rst
ixpk= 1128, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 62, 63,
&end
#
# 13 ARG HG- 13 ARG HB- 3.00 (# 1130:20 Unique 2.23, 2.68 A)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 201, 202,
igr2= 198, 199,
&end
#
# 53 ARG HA 53 ARG HB+ 3.00 (# 1131:20 Unique 2.32, 2.75 A)
&rst
ixpk= 1131, nxpk= 20, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 877, 878,
&end
#
# 53 ARG HG+ 53 ARG HB+ 3.00 (# 1132:20 Unique 2.21, 2.65 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 880, 881,
igr2= 877, 878,
&end
#
# 53 ARG HA 53 ARG HB- 3.00 (# 1133:20 Unique 2.32, 2.75 A)
&rst
ixpk= 1133, nxpk= 20, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 877, 878,
&end
#
# 0 AMB 20-2:1135 113 ILE HG1- 3.00 (# 1135:20 Single 0.00, 0.00 )
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 647, 648, 649, 651, 652, 653,1770,
igr2=1776,1777,
&end
#
# 97 LEU MDX 113 ILE HG1- 3.00 (# 1136:20 Unique 2.00, 4.13 A)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1550,1551,1552,1554,1555,1556,
igr2=1776,1777,
&end
#
# 0 AMB 20-2:1138 0 AMB 20-1:1138 5.00 (# 1138:20 Double 0.00, 0.00 )
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1550,1551,1552,1554,1555,1556,1840,1841,1842,1844,
1845,1846,
igr2=1811,1812,1811,1812,
&end
#
# 0 AMB 20-2:1139 0 AMB 20-1:1139 3.00 (# 1139:20 Double 0.00, 0.00 )
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1743,1700,
igr2=1745,1746,1745,1746,
&end
#
# 0 AMB 20-2:1140 0 AMB 20-1:1140 5.00 (# 1140:20 Double 0.00, 0.00 )
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 169, 170,1748,1749,
igr2= 62, 63,1745,1746,
&end
#
# 73 GLU HA 73 GLU HB- 3.60 (# 1141:20 Unique 2.33, 2.74 A)
&rst
ixpk= 1141, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1185,1186,
&end
#
# 53 ARG HG+ 53 ARG HB- 3.00 (# 1143:20 Unique 2.21, 2.65 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 880, 881,
igr2= 877, 878,
&end
#
# 13 ARG HA 13 ARG HB+ 3.00 (# 1144:20 Unique 2.35, 2.70 A)
&rst
ixpk= 1144, nxpk= 20, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 198, 199,
&end
#
# 25 LYS HE+ 25 LYS HD+ 3.00 (# 1149:20 Unique 2.22, 2.67 A)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 397, 398,
igr2= 394, 395,
&end
#
# 12 HIS HA 12 HIS HB+ 3.00 (# 1152:20 Unique 2.30, 2.74 A)
&rst
ixpk= 1152, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 181, 182,
&end
#
# 12 HIS HA 12 HIS HB- 4.00 (# 1153:20 Unique 2.30, 2.74 A)
&rst
ixpk= 1153, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 181, 182,
&end
#
# 96 LYS HG- 96 LYS HD+ 3.00 (# 1159:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1526,1527,
igr2=1529,1530,
&end
#
# 65 VAL MGX 65 VAL HB 3.00 (# 1160:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 78 MET ME 74 CYS HB+ 4.60 (# 1162:20 Unique 2.00, 3.97 A)
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1271,1272,1273,
igr2=1200,1201,
&end
#
# 8 GLU HA 8 GLU HB+ 3.00 (# 1176:20 Unique 2.35, 2.69 A)
&rst
ixpk= 1176, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 113, 114,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 3.00 (# 1177:20 Double 0.00, 0.00 )
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1211,1212,1233,1234,
igr2=1236,1237,1236,1237,
&end
#
# 76 LYS HE+ 76 LYS HD+ 3.00 (# 1178:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1239,1240,
igr2=1236,1237,
&end
#
# 0 AMB 20-2:1179 0 AMB 20-1:1179 3.00 (# 1179:20 Double 0.00, 0.00 )
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 757, 758, 803, 804, 904, 905,1407,1408,
igr2= 760, 761, 806, 807, 907, 908,1410,1411,
&end
#
# 0 AMB 20-2:1180 0 AMB 20-1:1180 5.00 (# 1180:20 Double 0.00, 0.00 )
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1609,1610,1609,1610,
igr2= 806, 807, 760, 761,
&end
#
# 100 ILE QG2 0 AMB 20-1:1183 6.00 (# 1183:20 Single 0.00, 0.00 )
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1589,1590,1591,
igr2= 760, 761, 806, 807,
&end
#
# 0 AMB 20-2:1184 0 AMB 20-1:1184 3.00 (# 1184:20 Double 0.00, 0.00 )
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1989,1990, 809, 810,
igr2=1986,1987, 806, 807,
&end
#
# 0 AMB 20-2:1186 0 AMB 20-1:1186 3.00 (# 1186:20 Double 0.00, 0.00 )
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1983,1984, 847, 848,
igr2=1986,1987, 850, 851,
&end
#
# 0 AMB 20-2:1187 0 AMB 20-1:1187 5.50 (# 1187:20 Double 0.00, 0.00 )
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 820, 937, 938, 937, 938,
igr2= 850, 851, 850, 851, 850, 851,
&end
#
# 61 LYS HG- 61 LYS HD+ 3.00 (# 1188:20 Unique 2.40, 2.59 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1014,1015,
igr2=1017,1018,
&end
#
# 63 VAL MGY 61 LYS HD+ 3.90 (# 1189:20 Unique 2.31, 5.25 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1017,1018,
&end
#
# 6 ARG HA 6 ARG HG+ 4.50 (# 1191:20 Unique 3.47, 3.86 A)
&rst
ixpk= 1191, nxpk= 20, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 80, 81,
&end
#
# 50 LYS HA 50 LYS HD+ 5.00 (# 1194:20 Unique 3.70, 4.35 A)
&rst
ixpk= 1194, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 828, 829,
&end
#
# 50 LYS HE+ 50 LYS HD+ 3.00 (# 1195:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 831, 832,
igr2= 828, 829,
&end
#
# 50 LYS HB+ 50 LYS HD+ 3.00 (# 1197:20 Unique 2.03, 3.17 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 822, 823,
igr2= 828, 829,
&end
#
# 50 LYS HE+ 50 LYS HD- 3.00 (# 1199:20 Unique 2.22, 2.66 A)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 831, 832,
igr2= 828, 829,
&end
#
# 50 LYS HB+ 50 LYS HD- 3.60 (# 1201:20 Unique 2.03, 3.17 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 822, 823,
igr2= 828, 829,
&end
#
# 0 AMB 20-2:1214 11 GLU HB- 4.00 (# 1214:20 Single 0.00, 0.00 )
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 113, 114, 241, 242,
igr2= 166, 167,
&end
#
# 26 GLU HA 26 GLU HB+ 3.00 (# 1220:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1220, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 410, 411,
&end
#
# 26 GLU HG+ 26 GLU HB+ 3.00 (# 1221:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 413, 414,
igr2= 410, 411,
&end
#
# 75 LEU MDX 26 GLU HB+ 4.00 (# 1222:20 Unique 2.94, 5.50 A)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1216,1217,1218,1220,1221,1222,
igr2= 410, 411,
&end
#
# 107 ASP HA 110 GLN HB+ 3.30 (# 1223:20 Unique 3.00, 3.45 A)
&rst
ixpk= 1223, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1728,1729,
&end
#
# 105 VAL MGX 110 GLN HB+ 3.00 (# 1224:20 Unique 2.26, 4.98 A)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1728,1729,
&end
#
# 0 AMB 20-2:1225 0 AMB 20-1:1225 3.00 (# 1225:20 Double 0.00, 0.00 )
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1731,1732, 413, 414,
igr2=1728,1729, 410, 411,
&end
#
# 75 LEU MDX 26 GLU HB- 3.00 (# 1226:20 Unique 2.94, 5.50 A)
&rst
ixpk= 1226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1216,1217,1218,1220,1221,1222,
igr2= 410, 411,
&end
#
# 26 GLU HA 26 GLU HB- 3.00 (# 1227:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1227, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 410, 411,
&end
#
# 110 GLN HG+ 110 GLN HB- 3.00 (# 1228:20 Unique 2.23, 2.56 A)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1731,1732,
igr2=1728,1729,
&end
#
# 107 ASP HA 110 GLN HB- 3.00 (# 1229:20 Unique 3.00, 3.45 A)
&rst
ixpk= 1229, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 110 GLN HA 110 GLN HB- 3.00 (# 1230:20 Unique 2.58, 2.81 A)
&rst
ixpk= 1230, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 105 VAL MGX 110 GLN HB- 3.60 (# 1231:20 Unique 2.26, 4.98 A)
&rst
ixpk= 1231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1728,1729,
&end
#
# 88 LYS HA 88 LYS HD+ 4.10 (# 1232:20 Unique 2.16, 3.40 A)
&rst
ixpk= 1232, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1410,1411,
&end
#
# 54 LYS HA 54 LYS HD+ 4.50 (# 1233:20 Unique 2.09, 3.36 A)
&rst
ixpk= 1233, nxpk= 20, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 907, 908,
&end
#
# 84 ASP HB- 61 LYS HD+ 5.00 (# 1235:20 Unique 3.25, 4.32 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,
igr2=1017,1018,
&end
#
# 6 ARG HD+ 6 ARG HG+ 3.00 (# 1236:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 6 ARG HD- 6 ARG HG+ 3.00 (# 1237:20 Unique 2.22, 2.65 A)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 11 GLU HA 11 GLU HB- 3.20 (# 1240:20 Unique 2.33, 2.76 A)
&rst
ixpk= 1240, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 166, 167,
&end
#
# 11 GLU HG+ 11 GLU HB- 3.00 (# 1241:20 Unique 2.21, 2.68 A)
&rst
ixpk= 1241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 169, 170,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:1242 0 AMB 20-1:1242 3.00 (# 1242:20 Double 0.00, 0.00 )
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1144,1145,1726,
igr2=1147,1148,1728,1729,
&end
#
# 41 GLU HA 41 GLU HB+ 3.20 (# 1243:20 Unique 2.26, 2.45 A)
&rst
ixpk= 1243, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 661, 662,
&end
#
# 41 GLU HG+ 41 GLU HB- 3.20 (# 1244:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 664, 665,
igr2= 661, 662,
&end
#
# 70 PRO HD+ 70 PRO HG+ 3.00 (# 1249:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1249, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1144,1145,
igr2=1147,1148,
&end
#
# 70 PRO HD+ 70 PRO HG- 3.00 (# 1251:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1144,1145,
igr2=1147,1148,
&end
#
# 41 GLU HA 41 GLU HB- 3.20 (# 1253:20 Unique 2.26, 2.45 A)
&rst
ixpk= 1253, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 661, 662,
&end
#
# 13 ARG HA 13 ARG HG- 4.00 (# 1262:20 Unique 2.48, 3.18 A)
&rst
ixpk= 1262, nxpk= 20, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 201, 202,
&end
#
# 0 AMB 20-2:1263 13 ARG HG- 3.00 (# 1263:20 Single 0.00, 0.00 )
&rst
ixpk= 1263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 204, 205, 181, 182,
igr2= 201, 202,
&end
#
# 13 ARG HD+ 13 ARG HG+ 3.00 (# 1264:20 Unique 2.32, 2.66 A)
&rst
ixpk= 1264, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 204, 205,
igr2= 201, 202,
&end
#
# 13 ARG HB+ 13 ARG HG+ 3.00 (# 1265:20 Unique 2.23, 2.68 A)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 198, 199,
igr2= 201, 202,
&end
#
# 0 AMB 20-2:1272 40 LEU MDX 3.50 (# 1272:20 Single 0.00, 0.00 )
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 640, 583,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 35 TYR HB+ 40 LEU MDX 8.00 (# 1273:20 Unique 6.93, 9.06 A)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 564, 565,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 80 VAL MGX 40 LEU MDX 4.40 (# 1274:20 Unique 2.68, 6.77 A)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=1304,1305,1306,1308,1309,1310,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB- 40 LEU MDX 3.80 (# 1275:20 Unique 1.95, 3.31 A)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 642, 643,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 58 ILE HA 58 ILE HG1- 3.00 (# 1277:20 Unique 2.12, 2.96 A)
&rst
ixpk= 1277, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 968, 969,
&end
#
# 0 AMB 20-2:1278 0 AMB 20-1:1278 6.00 (# 1278:20 Double 0.00, 0.00 )
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 809, 810,1359,1360,
igr2= 968, 969,1377,1378,
&end
#
# 0 AMB 20-2:1279 58 ILE HG1- 3.00 (# 1279:20 Single 0.00, 0.00 )
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 844, 845, 962,
igr2= 968, 969,
&end
#
# 58 ILE QG2 58 ILE HG1- 4.00 (# 1280:20 Unique 2.52, 3.61 A)
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 964, 965, 966,
igr2= 968, 969,
&end
#
# 85 ILE HB 85 ILE HG1- 3.00 (# 1281:20 Unique 2.47, 2.76 A)
&rst
ixpk= 1281, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1377,1378,
&end
#
# 58 ILE HA 58 ILE HG1+ 3.00 (# 1282:20 Unique 2.12, 2.96 A)
&rst
ixpk= 1282, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 968, 969,
&end
#
# 0 AMB 20-2:1283 0 AMB 20-1:1283 3.00 (# 1283:20 Double 0.00, 0.00 )
&rst
ixpk= 1283, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 844, 845, 962,
igr2= 968, 969, 968, 969,
&end
#
# 51 LYS HG+ 58 ILE HG1+ 3.00 (# 1285:20 Unique 2.54, 4.45 A)
&rst
ixpk= 1285, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 847, 848,
igr2= 968, 969,
&end
#
# 36 LEU MDY 36 LEU HG 3.00 (# 1292:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1292, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 40 LEU HG 40 LEU MDX 3.00 (# 1297:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1297, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 53 ARG HD+ 53 ARG HG+ 3.00 (# 1298:20 Unique 2.22, 2.71 A)
&rst
ixpk= 1298, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 883, 884,
igr2= 880, 881,
&end
#
# 53 ARG HA 53 ARG HG+ 3.50 (# 1299:20 Unique 2.03, 2.93 A)
&rst
ixpk= 1299, nxpk= 20, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 880, 881,
&end
#
# 75 LEU MDY 75 LEU HG 3.00 (# 1300:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1300, nxpk= 20, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU MDX 75 LEU HG 3.00 (# 1301:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 86 GLY HA+ 85 ILE HG1- 4.50 (# 1302:20 Unique 4.07, 5.18 A)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1388,1389,
igr2=1377,1378,
&end
#
# 85 ILE HA 85 ILE HG1+ 4.00 (# 1304:20 Unique 3.68, 3.71 A)
&rst
ixpk= 1304, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1377,1378,
&end
#
# 85 ILE QG2 85 ILE HG1+ 3.00 (# 1306:20 Unique 2.26, 3.48 A)
&rst
ixpk= 1306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1373,1374,1375,
igr2=1377,1378,
&end
#
# 36 LEU MDX 36 LEU HG 3.00 (# 1312:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 117 LEU HA 117 LEU HG 3.50 (# 1314:20 Unique 2.56, 2.84 A)
&rst
ixpk= 1314, nxpk= 20, iat=1833,1838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1315 117 LEU HG 6.00 (# 1315:20 Single 0.00, 0.00 )
&rst
ixpk= 1315, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 117 LEU HB+ 117 LEU HG 3.00 (# 1316:20 Unique 2.40, 2.76 A)
&rst
ixpk= 1316, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1835,1836,
&end
#
# 117 LEU MDX 117 LEU HG 3.00 (# 1317:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1317, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:1319 97 LEU MDY 3.00 (# 1319:20 Single 0.00, 0.00 )
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1548,1589,1590,1591,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 103 ILE HA 103 ILE HG1- 3.00 (# 1320:20 Unique 2.22, 2.87 A)
&rst
ixpk= 1320, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1637,1638,
&end
#
# 103 ILE QD1 103 ILE HG1- 3.00 (# 1321:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1640,1641,1642,
igr2=1637,1638,
&end
#
# 103 ILE HA 103 ILE HG1+ 3.00 (# 1322:20 Unique 2.22, 2.87 A)
&rst
ixpk= 1322, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1637,1638,
&end
#
# 97 LEU HA 97 LEU HG 4.00 (# 1323:20 Unique 2.77, 3.35 A)
&rst
ixpk= 1323, nxpk= 20, iat=1543,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 ILE HA 97 LEU HG 4.00 (# 1324:20 Unique 2.86, 3.61 A)
&rst
ixpk= 1324, nxpk= 20, iat=1768,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 LEU MDY 97 LEU HG 3.00 (# 1325:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1325, nxpk= 20, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1550,1551,1552,1554,1555,1556,
&end
#
# 97 LEU HB+ 97 LEU HG 3.00 (# 1326:20 Unique 2.22, 2.51 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1545,1546,
&end
#
# 97 LEU MDX 97 LEU HG 3.00 (# 1327:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1327, nxpk= 20, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1550,1551,1552,1554,1555,1556,
&end
#
# 114 ALA HA 117 LEU HG 4.00 (# 1329:20 Unique 3.10, 3.56 A)
&rst
ixpk= 1329, nxpk= 20, iat=1787,1838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 ILE HB 19 ILE HG1- 3.00 (# 1334:20 Unique 2.25, 2.60 A)
&rst
ixpk= 1334, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 310, 311,
&end
#
# 97 LEU HA 100 ILE HG1+ 6.00 (# 1336:20 Unique 5.72, 6.51 A)
&rst
ixpk= 1336, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1593,1594,
&end
#
# 103 ILE QD1 103 ILE HG1+ 3.00 (# 1338:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1640,1641,1642,
igr2=1637,1638,
&end
#
# 96 LYS HE- 96 LYS HG+ 3.80 (# 1342:20 Unique 2.14, 3.37 A)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1532,1533,
igr2=1526,1527,
&end
#
# 100 ILE HB 100 ILE HG1- 3.00 (# 1343:20 Unique 2.24, 2.72 A)
&rst
ixpk= 1343, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 100 ILE QG2 100 ILE HG1- 3.00 (# 1345:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1589,1590,1591,
igr2=1593,1594,
&end
#
# 100 ILE QD1 100 ILE HG1- 3.00 (# 1346:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1596,1597,1598,
igr2=1593,1594,
&end
#
# 100 ILE HB 100 ILE HG1+ 3.00 (# 1347:20 Unique 2.24, 2.72 A)
&rst
ixpk= 1347, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 0 AMB 20-2:1349 0 AMB 20-1:1349 4.00 (# 1349:20 Double 0.00, 0.00 )
&rst
ixpk= 1349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
1085,1086,
igr2=1593,1594,1593,1594,
&end
#
# 100 ILE QD1 100 ILE HG1+ 3.00 (# 1350:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1596,1597,1598,
igr2=1593,1594,
&end
#
# 100 ILE QG2 100 ILE HG1+ 3.00 (# 1351:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1589,1590,1591,
igr2=1593,1594,
&end
#
# 96 LYS HE- 96 LYS HG- 4.00 (# 1352:20 Unique 2.14, 3.37 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1532,1533,
igr2=1526,1527,
&end
#
# 0 AMB 20-2:1353 96 LYS HG- 3.00 (# 1353:20 Single 0.00, 0.00 )
&rst
ixpk= 1353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1529,1530,1523,1524,
igr2=1526,1527,
&end
#
# 36 LEU HG 40 LEU HG 5.00 (# 1357:20 Unique 4.30, 4.92 A)
&rst
ixpk= 1357, nxpk= 20, iat= 588, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 LEU HA 40 LEU HG 3.00 (# 1358:20 Unique 2.41, 2.64 A)
&rst
ixpk= 1358, nxpk= 20, iat= 640, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 ILE HG1+ 40 LEU HG 4.50 (# 1359:20 Unique 2.88, 3.85 A)
&rst
ixpk= 1359, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1776,1777,
&end
#
# 40 LEU MDX 40 LEU HG 3.00 (# 1360:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1360, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB+ 40 LEU HG 3.00 (# 1361:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 642, 643,
&end
#
# 40 LEU HB- 40 LEU HG 3.00 (# 1362:20 Unique 2.22, 2.69 A)
&rst
ixpk= 1362, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 642, 643,
&end
#
# 98 SER HA 120 LEU MDY 4.00 (# 1369:20 Unique 2.27, 4.16 A)
&rst
ixpk= 1369, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:1370 120 LEU MDY 3.00 (# 1370:20 Single 0.00, 0.00 )
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1833,1564,1565,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 120 LEU HB+ 120 LEU MDY 3.00 (# 1372:20 Unique 1.92, 3.27 A)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:1373 120 LEU MDY 5.60 (# 1373:20 Single 0.00, 0.00 )
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.68, r4=11.18,
igr1=1959,1960,1840,1841,1842,1844,1845,1846,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 36 LEU HG 40 LEU MDY 4.50 (# 1377:20 Unique 2.04, 3.57 A)
&rst
ixpk= 1377, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:1378 40 LEU MDY 3.00 (# 1378:20 Single 0.00, 0.00 )
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 640, 583,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 113 ILE HG1+ 40 LEU MDY 3.00 (# 1379:20 Unique 1.96, 4.25 A)
&rst
ixpk= 1379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1776,1777,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 112 ALA MB 40 LEU MDY 3.00 (# 1381:20 Unique 1.98, 4.34 A)
&rst
ixpk= 1381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1760,1761,1762,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:1382 40 LEU MDY 3.00 (# 1382:20 Single 0.00, 0.00 )
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB- 40 LEU MDY 3.00 (# 1383:20 Unique 1.95, 3.31 A)
&rst
ixpk= 1383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 642, 643,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 66 LEU HA 0 AMB 20-1:1384 4.00 (# 1384:20 Single 0.00, 0.00 )
&rst
ixpk= 1384, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 65 VAL HA 0 AMB 20-1:1385 5.50 (# 1385:20 Single 0.00, 0.00 )
&rst
ixpk= 1385, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 0 AMB 20-2:1386 0 AMB 20-1:1386 3.00 (# 1386:20 Double 0.00, 0.00 )
&rst
ixpk= 1386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1066,1067, 270, 271,1063,1064,
igr2=1099,1100,1101,1103,1104,1105, 291, 292,
&end
#
# 0 AMB 20-2:1387 0 AMB 20-1:1387 3.00 (# 1387:20 Double 0.00, 0.00 )
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1318,1319, 231, 232, 233,
igr2=1099,1100,1101,1103,1104,1105, 291, 292,
&end
#
# 83 ALA MB 66 LEU MDY 3.00 (# 1388:20 Unique 2.12, 5.10 A)
&rst
ixpk= 1388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1349,1350,1351,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 117 LEU HA 117 LEU MDX 4.00 (# 1390:20 Unique 1.97, 3.86 A)
&rst
ixpk= 1390, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:1391 117 LEU MDX 5.50 (# 1391:20 Single 0.00, 0.00 )
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 92 VAL HB 0 AMB 20-1:1392 4.00 (# 1392:20 Single 0.00, 0.00 )
&rst
ixpk= 1392, nxpk= 20, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 18 ILE QG2 18 ILE HG1- 4.00 (# 1394:20 Unique 2.52, 3.51 A)
&rst
ixpk= 1394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 287, 288, 289,
igr2= 291, 292,
&end
#
# 36 LEU HA 36 LEU MDX 4.00 (# 1395:20 Unique 2.04, 4.07 A)
&rst
ixpk= 1395, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 32 TRP HB- 36 LEU MDX 5.00 (# 1396:20 Unique 2.90, 5.93 A)
&rst
ixpk= 1396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 498, 499,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:1397 36 LEU MDX 3.00 (# 1397:20 Single 0.00, 0.00 )
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 588, 604, 605,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 78 MET ME 36 LEU MDX 5.00 (# 1398:20 Unique 3.33, 6.04 A)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1271,1272,1273,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 36 LEU HB- 36 LEU MDX 3.00 (# 1399:20 Unique 1.94, 3.22 A)
&rst
ixpk= 1399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 585, 586,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:1400 36 LEU MDX 3.00 (# 1400:20 Single 0.00, 0.00 )
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1127,1128,1129,1550,1551,1552,1554,1555,1556,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 36 LEU HB+ 36 LEU MDX 3.00 (# 1401:20 Unique 1.94, 3.22 A)
&rst
ixpk= 1401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 585, 586,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 18 ILE QG2 18 ILE HG1+ 4.00 (# 1404:20 Unique 2.52, 3.51 A)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 287, 288, 289,
igr2= 291, 292,
&end
#
# 114 ALA HA 117 LEU MDX 3.00 (# 1408:20 Unique 1.98, 4.09 A)
&rst
ixpk= 1408, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU HG 117 LEU MDX 3.00 (# 1409:20 Unique 2.21, 2.63 A)
&rst
ixpk= 1409, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU HB- 117 LEU MDX 3.00 (# 1410:20 Unique 2.08, 3.26 A)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1835,1836,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU HB+ 117 LEU MDX 3.00 (# 1411:20 Unique 2.08, 3.26 A)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1835,1836,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 76 LYS HE+ 76 LYS HG+ 3.50 (# 1422:20 Unique 2.04, 3.25 A)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1239,1240,
igr2=1233,1234,
&end
#
# 76 LYS HB+ 76 LYS HG+ 3.00 (# 1423:20 Unique 2.21, 2.67 A)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1230,1231,
igr2=1233,1234,
&end
#
# 0 AMB 20-2:1424 0 AMB 20-1:1424 3.00 (# 1424:20 Double 0.00, 0.00 )
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1236,1237,1211,1212,
igr2=1233,1234,1233,1234,
&end
#
# 0 AMB 20-2:1425 0 AMB 20-1:1425 3.50 (# 1425:20 Double 0.00, 0.00 )
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 899, 875,
igr2= 904, 905, 904, 905,
&end
#
# 72 ASP HA 75 LEU MDY 3.00 (# 1427:20 Unique 2.81, 4.44 A)
&rst
ixpk= 1427, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 26 GLU HG+ 75 LEU MDY 5.00 (# 1428:20 Unique 3.03, 5.06 A)
&rst
ixpk= 1428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 413, 414,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:1429 75 LEU MDY 5.60 (# 1429:20 Single 0.00, 0.00 )
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,
igr1=1188,1189,1230,1231,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB- 75 LEU MDY 3.00 (# 1430:20 Unique 2.25, 3.28 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:1431 75 LEU MDY 3.00 (# 1431:20 Single 0.00, 0.00 )
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 481, 482, 483,1214,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB+ 75 LEU MDY 3.00 (# 1432:20 Unique 2.25, 3.28 A)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:1433 75 LEU MDY 4.60 (# 1433:20 Single 0.00, 0.00 )
&rst
ixpk= 1433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1=1200,1201,1173,1174,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:1434 75 LEU MDY 4.00 (# 1434:20 Single 0.00, 0.00 )
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1173,1174, 474, 475,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:1439 0 AMB 20-1:1439 3.00 (# 1439:20 Double 0.00, 0.00 )
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1359,1360,1575,1576,
igr2=1407,1408, 803, 804,
&end
#
# 0 AMB 20-2:1440 0 AMB 20-1:1440 4.00 (# 1440:20 Double 0.00, 0.00 )
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 999,1000,1606,1607,
igr2= 757, 758, 803, 804,
&end
#
# 0 AMB 20-2:1441 0 AMB 20-1:1441 3.00 (# 1441:20 Double 0.00, 0.00 )
&rst
ixpk= 1441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 760, 761, 907, 908,1410,1411, 754, 755,
igr2= 757, 758, 904, 905,1407,1408, 757, 758,
&end
#
# 58 ILE QD1 49 LYS HG+ 4.60 (# 1442:20 Unique 3.69, 5.40 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 971, 972, 973,
igr2= 803, 804,
&end
#
# 49 LYS HE+ 47 LYS HG- 4.00 (# 1443:20 Unique 3.09, 4.99 A)
&rst
ixpk= 1443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 809, 810,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:1444 0 AMB 20-1:1444 3.00 (# 1444:20 Double 0.00, 0.00 )
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 996, 997, 754, 755, 877, 878,
igr2= 757, 758, 904, 905,
&end
#
# 0 AMB 20-2:1445 0 AMB 20-1:1445 3.00 (# 1445:20 Double 0.00, 0.00 )
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 760, 761, 907, 908,
igr2= 757, 758, 904, 905,
&end
#
# 51 LYS HA 51 LYS HG+ 3.00 (# 1446:20 Unique 2.03, 2.79 A)
&rst
ixpk= 1446, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 847, 848,
&end
#
# 56 SER HB- 51 LYS HG+ 6.00 (# 1447:20 Unique 2.35, 5.93 A)
&rst
ixpk= 1447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 937, 938,
igr2= 847, 848,
&end
#
# 49 LYS HE+ 49 LYS HG- 3.50 (# 1448:20 Unique 2.09, 3.52 A)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 809, 810,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:1449 0 AMB 20-1:1449 3.00 (# 1449:20 Double 0.00, 0.00 )
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 844, 845, 850, 851, 806, 807,
igr2= 847, 848, 847, 848, 803, 804,
&end
#
# 100 ILE QG2 49 LYS HG- 6.00 (# 1450:20 Unique 5.67, 7.09 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1589,1590,1591,
igr2= 803, 804,
&end
#
# 101 GLU HB+ 49 LYS HG- 3.30 (# 1451:20 Unique 3.08, 4.05 A)
&rst
ixpk= 1451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1606,1607,
igr2= 803, 804,
&end
#
# 88 LYS HA 88 LYS HG+ 3.50 (# 1455:20 Unique 2.75, 3.60 A)
&rst
ixpk= 1455, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1407,1408,
&end
#
# 103 ILE QD1 47 LYS HG- 4.00 (# 1456:20 Unique 2.18, 4.28 A)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1640,1641,1642,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:1460 0 AMB 20-1:1460 3.00 (# 1460:20 Double 0.00, 0.00 )
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 693, 694, 693, 694,
igr2= 696, 697, 696, 697,
&end
#
# 43 PRO HD- 0 AMB 20-1:1461 3.00 (# 1461:20 Single 0.00, 0.00 )
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 693, 694,
igr2= 696, 697, 696, 697,
&end
#
# 0 AMB 20-2:1462 0 AMB 20-1:1462 3.00 (# 1462:20 Double 0.00, 0.00 )
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 699, 700, 699, 700,
igr2= 696, 697, 696, 697,
&end
#
# 66 LEU MDX 0 AMB 20-1:1463 6.00 (# 1463:20 Single 0.00, 0.00 )
&rst
ixpk= 1463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1099,1100,1101,1103,1104,1105,
igr2= 696, 697, 696, 697,
&end
#
# 43 PRO HD+ 43 PRO HG+ 3.00 (# 1464:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 43 PRO HD- 43 PRO HG+ 3.00 (# 1465:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1465, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 43 PRO HD+ 43 PRO HG+ 3.00 (# 1466:20 Unique 2.30, 2.58 A)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 25 LYS HA 25 LYS HG+ 4.50 (# 1467:20 Unique 3.57, 3.91 A)
&rst
ixpk= 1467, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 391, 392,
&end
#
# 0 AMB 20-2:1469 0 AMB 20-1:1469 5.00 (# 1469:20 Double 0.00, 0.00 )
&rst
ixpk= 1469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 776, 777, 776, 777, 776, 777,
igr2=1014,1015,1014,1015, 757, 758,
&end
#
# 82 VAL MGY 61 LYS HG- 7.00 (# 1470:20 Unique 7.23, 9.40 A)
&rst
ixpk= 1470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1014,1015,
&end
#
# 25 LYS HE+ 25 LYS HG+ 3.00 (# 1471:20 Unique 2.01, 3.27 A)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 397, 398,
igr2= 391, 392,
&end
#
# 26 GLU HG+ 25 LYS HG+ 4.00 (# 1472:20 Unique 2.09, 3.53 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 413, 414,
igr2= 391, 392,
&end
#
# 25 LYS HE+ 25 LYS HG- 3.00 (# 1474:20 Unique 2.01, 3.27 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 397, 398,
igr2= 391, 392,
&end
#
# 26 GLU HG+ 25 LYS HG- 4.00 (# 1475:20 Unique 2.09, 3.53 A)
&rst
ixpk= 1475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 413, 414,
igr2= 391, 392,
&end
#
# 26 GLU HB+ 25 LYS HG- 4.50 (# 1476:20 Unique 3.51, 5.04 A)
&rst
ixpk= 1476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 410, 411,
igr2= 391, 392,
&end
#
# 25 LYS HB+ 25 LYS HG- 3.00 (# 1478:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 388, 389,
igr2= 391, 392,
&end
#
# 125 LYS HE+ 125 LYS HG+ 3.00 (# 1488:20 Unique 2.01, 3.14 A)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1989,1990,
igr2=1983,1984,
&end
#
# 80 VAL HB 80 VAL MGY 3.00 (# 1490:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1490, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 50 LYS HB+ 50 LYS HG+ 3.00 (# 1491:20 Unique 2.21, 2.70 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 822, 823,
igr2= 825, 826,
&end
#
# 50 LYS HD+ 50 LYS HG+ 3.00 (# 1492:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 828, 829,
igr2= 825, 826,
&end
#
# 50 LYS HA 50 LYS HG+ 3.00 (# 1493:20 Unique 2.20, 2.86 A)
&rst
ixpk= 1493, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 825, 826,
&end
#
# 50 LYS HE+ 50 LYS HG+ 3.60 (# 1494:20 Unique 2.01, 3.37 A)
&rst
ixpk= 1494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 831, 832,
igr2= 825, 826,
&end
#
# 50 LYS HD+ 50 LYS HG+ 3.00 (# 1495:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 828, 829,
igr2= 825, 826,
&end
#
# 0 AMB 20-2:1500 75 LEU MDX 5.00 (# 1500:20 Single 0.00, 0.00 )
&rst
ixpk= 1500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1173,1174, 474, 475,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HA 75 LEU MDX 3.00 (# 1508:20 Unique 1.99, 3.81 A)
&rst
ixpk= 1508, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 30 MET HB+ 75 LEU MDX 5.00 (# 1509:20 Unique 6.42, 8.63 A)
&rst
ixpk= 1509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 474, 475,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 74 CYS HB- 75 LEU MDX 6.40 (# 1510:20 Unique 4.63, 6.94 A)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1=1200,1201,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 26 GLU HG+ 75 LEU MDX 3.00 (# 1511:20 Unique 3.03, 5.06 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 413, 414,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 71 ASP HB+ 75 LEU MDX 4.00 (# 1512:20 Unique 2.74, 6.52 A)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1161,1162,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB- 75 LEU MDX 3.00 (# 1513:20 Unique 2.25, 3.28 A)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:1514 75 LEU MDX 3.00 (# 1514:20 Single 0.00, 0.00 )
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 481, 482, 483,1214,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB+ 75 LEU MDX 3.00 (# 1515:20 Unique 2.25, 3.28 A)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 44 PHE HB- 105 VAL MGY 3.00 (# 1516:20 Unique 2.37, 5.33 A)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 710, 711,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 102 ALA MB 105 VAL MGY 3.00 (# 1517:20 Unique 1.90, 3.42 A)
&rst
ixpk= 1517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1621,1622,1623,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 65 VAL HA 82 VAL MGY 3.00 (# 1518:20 Unique 1.52, 3.98 A)
&rst
ixpk= 1518, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL HB 82 VAL MGY 3.00 (# 1519:20 Unique 1.81, 3.13 A)
&rst
ixpk= 1519, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HB 82 VAL MGY 3.00 (# 1520:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1520, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:1521 82 VAL MGY 4.00 (# 1521:20 Single 0.00, 0.00 )
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1593,1594,1349,1350,1351,1377,1378,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:1522 82 VAL MGY 3.00 (# 1522:20 Single 0.00, 0.00 )
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1049,1050,1051,1053,1054,1055,1304,1305,1306,1308,
1309,1310,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:1523 82 VAL MGY 4.00 (# 1523:20 Single 0.00, 0.00 )
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 84 ASP HB+ 83 ALA MB 5.00 (# 1528:20 Unique 4.93, 6.30 A)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1359,1360,
igr2=1349,1350,1351,
&end
#
# 0 AMB 20-2:1529 83 ALA MB 5.00 (# 1529:20 Single 0.00, 0.00 )
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1359,1360,1426,1427,1450,1451,
igr2=1349,1350,1351,
&end
#
# 0 AMB 20-2:1530 83 ALA MB 4.00 (# 1530:20 Single 0.00, 0.00 )
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1063,1064,1066,1067,
igr2=1349,1350,1351,
&end
#
# 64 GLU HB- 83 ALA MB 3.00 (# 1531:20 Unique 3.21, 5.16 A)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1063,1064,
igr2=1349,1350,1351,
&end
#
# 0 AMB 20-2:1532 83 ALA MB 3.00 (# 1532:20 Single 0.00, 0.00 )
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1464,1465,1466,1468,1469,1470,1099,1100,1101,1103,
1104,1105,
igr2=1349,1350,1351,
&end
#
# 63 VAL MGX 83 ALA MB 5.00 (# 1533:20 Unique 4.55, 7.35 A)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1349,1350,1351,
&end
#
# 82 VAL MGX 83 ALA MB 5.00 (# 1534:20 Unique 4.60, 6.55 A)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1349,1350,1351,
&end
#
# 74 CYS HB+ 78 MET ME 4.60 (# 1538:20 Unique 2.00, 3.97 A)
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1200,1201,
igr2=1271,1272,1273,
&end
#
# 32 TRP HB+ 78 MET ME 3.00 (# 1539:20 Unique 1.94, 3.52 A)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 498, 499,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:1540 78 MET ME 3.00 (# 1540:20 Single 0.00, 0.00 )
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 522, 523, 462,
igr2=1271,1272,1273,
&end
#
# 78 MET HG+ 78 MET ME 3.00 (# 1542:20 Unique 2.17, 3.61 A)
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1267,1268,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:1543 78 MET ME 4.00 (# 1543:20 Single 0.00, 0.00 )
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 464, 465, 466,1267,1268,
igr2=1271,1272,1273,
&end
#
# 78 MET HB- 78 MET ME 5.00 (# 1544:20 Unique 1.92, 4.26 A)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1264,1265,
igr2=1271,1272,1273,
&end
#
# 69 ALA HA 94 THR MG2 5.00 (# 1545:20 Unique 3.17, 4.25 A)
&rst
ixpk= 1545, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1501,1502,1503,
&end
#
# 94 THR HB 94 THR MG2 3.00 (# 1546:20 Unique 2.23, 2.64 A)
&rst
ixpk= 1546, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1501,1502,1503,
&end
#
# 79 TYR HB+ 94 THR MG2 3.00 (# 1547:20 Unique 1.98, 4.18 A)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1281,1282,
igr2=1501,1502,1503,
&end
#
# 0 AMB 20-2:1548 94 THR MG2 5.60 (# 1548:20 Single 0.00, 0.00 )
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=1188,1189,1185,1186,
igr2=1501,1502,1503,
&end
#
# 81 GLU HG- 94 THR MG2 4.00 (# 1549:20 Unique 1.97, 3.45 A)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1321,1322,
igr2=1501,1502,1503,
&end
#
# 0 AMB 20-2:1552 36 LEU MDY 3.00 (# 1552:20 Single 0.00, 0.00 )
&rst
ixpk= 1552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 588, 604, 605,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:1553 0 AMB 20-1:1553 3.00 (# 1553:20 Double 0.00, 0.00 )
&rst
ixpk= 1553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 585, 586,1760,1761,1762,
igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 39 THR HB 39 THR MG2 3.00 (# 1554:20 Unique 2.26, 2.64 A)
&rst
ixpk= 1554, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 630, 631, 632,
&end
#
# 82 VAL MGX 63 VAL MGY 4.00 (# 1558:20 Unique 1.92, 4.21 A)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 48 TRP HB- 63 VAL MGY 5.00 (# 1559:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 776, 777,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:1561 0 AMB 20-1:1561 3.00 (# 1561:20 Double 0.00, 0.00 )
&rst
ixpk= 1561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1127,1128,1129, 647, 648, 649, 651, 652, 653,
igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 108 ASP HB+ 39 THR MG2 4.00 (# 1562:20 Unique 1.95, 3.61 A)
&rst
ixpk= 1562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1702,1703,
igr2= 630, 631, 632,
&end
#
# 108 ASP HB- 39 THR MG2 3.00 (# 1563:20 Unique 1.95, 3.61 A)
&rst
ixpk= 1563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1702,1703,
igr2= 630, 631, 632,
&end
#
# 0 AMB 20-2:1564 0 AMB 20-1:1564 3.00 (# 1564:20 Double 0.00, 0.00 )
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1833, 583,
igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
595, 596,
&end
#
# 0 AMB 20-2:1565 0 AMB 20-1:1565 3.00 (# 1565:20 Double 0.00, 0.00 )
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1838,1047,
igr2=1840,1841,1842,1844,1845,1846,1049,1050,1051,1053,
1054,1055,
&end
#
# 98 SER HA 117 LEU MDY 3.00 (# 1566:20 Unique 3.17, 5.35 A)
&rst
ixpk= 1566, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 66 LEU HA 66 LEU MDX 3.00 (# 1567:20 Unique 1.96, 3.65 A)
&rst
ixpk= 1567, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 43 PRO HB+ 66 LEU MDX 4.00 (# 1568:20 Unique 3.05, 5.83 A)
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 699, 700,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 0 AMB 20-2:1569 66 LEU MDX 3.00 (# 1569:20 Single 0.00, 0.00 )
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1066,1067,1063,1064,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 81 GLU HB+ 66 LEU MDX 4.00 (# 1570:20 Unique 2.11, 4.93 A)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1318,1319,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 0 AMB 20-2:1571 66 LEU MDX 3.00 (# 1571:20 Single 0.00, 0.00 )
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1094,1095,1349,1350,1351,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 45 MET HB- 62 THR MG2 5.00 (# 1575:20 Unique 3.31, 5.21 A)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 730, 731,
igr2=1035,1036,1037,
&end
#
# 45 MET ME 62 THR MG2 3.00 (# 1576:20 Unique 1.93, 3.31 A)
&rst
ixpk= 1576, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 737, 738, 739,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:1577 62 THR MG2 4.80 (# 1577:20 Single 0.00, 0.00 )
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1371, 996, 997,
igr2=1035,1036,1037,
&end
#
# 85 ILE QD1 62 THR MG2 3.00 (# 1578:20 Unique 1.97, 3.27 A)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1380,1381,1382,
igr2=1035,1036,1037,
&end
#
# 63 VAL MGX 62 THR MG2 5.00 (# 1579:20 Unique 4.80, 6.78 A)
&rst
ixpk= 1579, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1035,1036,1037,
&end
#
# 65 VAL HA 65 VAL MGY 3.00 (# 1580:20 Unique 2.18, 3.16 A)
&rst
ixpk= 1580, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 80 VAL HB 65 VAL MGY 3.80 (# 1581:20 Unique 1.96, 3.81 A)
&rst
ixpk= 1581, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 9 THR HB 9 THR MG2 3.00 (# 1587:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1587, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 130, 131, 132,
&end
#
# 10 ARG HD+ 9 THR MG2 5.00 (# 1588:20 Unique 2.10, 5.98 A)
&rst
ixpk= 1588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 148, 149,
igr2= 130, 131, 132,
&end
#
# 113 ILE HA 97 LEU MDX 4.00 (# 1589:20 Unique 1.92, 4.37 A)
&rst
ixpk= 1589, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 80 VAL MGX 97 LEU MDX 3.00 (# 1590:20 Unique 1.97, 4.81 A)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1304,1305,1306,1308,1309,1310,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 120 LEU HB+ 120 LEU MDX 3.00 (# 1591:20 Unique 1.92, 3.27 A)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 120 LEU HB- 120 LEU MDX 3.00 (# 1592:20 Unique 1.92, 3.27 A)
&rst
ixpk= 1592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:1593 95 ALA MB 6.00 (# 1593:20 Single 0.00, 0.00 )
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1529,1530,1523,1524,
igr2=1513,1514,1515,
&end
#
# 0 AMB 20-2:1594 95 ALA MB 6.00 (# 1594:20 Single 0.00, 0.00 )
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1304,1305,1306,1308,1309,1310,1049,1050,1051,1053,
1054,1055,
igr2=1513,1514,1515,
&end
#
# 82 VAL MGX 95 ALA MB 4.00 (# 1595:20 Unique 4.85, 7.51 A)
&rst
ixpk= 1595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1513,1514,1515,
&end
#
# 55 THR HB 55 THR MG2 3.50 (# 1598:20 Unique 2.24, 2.64 A)
&rst
ixpk= 1598, nxpk= 20, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 925, 926, 927,
&end
#
# 57 THR HB 0 AMB 20-1:1599 3.50 (# 1599:20 Single 0.00, 0.00 )
&rst
ixpk= 1599, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 950, 951, 952, 925, 926, 927,
&end
#
# 60 GLU HG+ 57 THR MG2 6.00 (# 1600:20 Unique 6.32, 8.13 A)
&rst
ixpk= 1600, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 999,1000,
igr2= 950, 951, 952,
&end
#
# 97 LEU HB+ 97 LEU MDX 3.00 (# 1602:20 Unique 2.04, 3.43 A)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1545,1546,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 0 AMB 20-2:1603 97 LEU MDX 5.00 (# 1603:20 Single 0.00, 0.00 )
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 642, 643,1593,1594,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 0 AMB 20-2:1604 97 LEU MDX 3.00 (# 1604:20 Single 0.00, 0.00 )
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1548,1589,1590,1591,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 82 VAL MGX 92 VAL MGY 4.00 (# 1606:20 Unique 3.93, 7.78 A)
&rst
ixpk= 1606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 120 LEU HA 120 LEU MDX 3.00 (# 1608:20 Unique 2.02, 4.13 A)
&rst
ixpk= 1608, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 40 LEU MDY 109 THR MG2 3.00 (# 1609:20 Unique 1.93, 5.04 A)
&rst
ixpk= 1609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 647, 648, 649, 651, 652, 653,
igr2=1716,1717,1718,
&end
#
# 53 ARG HB- 55 THR MG2 4.50 (# 1611:20 Unique 2.16, 4.29 A)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 877, 878,
igr2= 925, 926, 927,
&end
#
# 54 LYS HG- 55 THR MG2 6.00 (# 1612:20 Unique 4.36, 5.91 A)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 904, 905,
igr2= 925, 926, 927,
&end
#
# 12 HIS HA 16 THR MG2 5.00 (# 1613:20 Unique 3.31, 4.36 A)
&rst
ixpk= 1613, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 258, 259, 260,
&end
#
# 16 THR HA 16 THR MG2 3.00 (# 1614:20 Unique 2.53, 3.25 A)
&rst
ixpk= 1614, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 258, 259, 260,
&end
#
# 16 THR HB 16 THR MG2 3.00 (# 1615:20 Unique 2.36, 2.64 A)
&rst
ixpk= 1615, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 258, 259, 260,
&end
#
# 15 GLU HG+ 16 THR MG2 3.50 (# 1616:20 Unique 1.98, 3.19 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 244, 245,
igr2= 258, 259, 260,
&end
#
# 15 GLU HG- 16 THR MG2 3.00 (# 1617:20 Unique 1.98, 3.19 A)
&rst
ixpk= 1617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 244, 245,
igr2= 258, 259, 260,
&end
#
# 15 GLU HB- 16 THR MG2 3.00 (# 1618:20 Unique 3.26, 4.76 A)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 241, 242,
igr2= 258, 259, 260,
&end
#
# 122 ARG HD+ 4 VAL MGY 4.00 (# 1620:20 Unique 2.10, 4.66 A)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1934,1935,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 5 GLU HG- 4 VAL MGY 7.00 (# 1621:20 Unique 5.83, 7.86 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 65, 66,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 81 GLU HB- 92 VAL MGY 3.00 (# 1623:20 Unique 2.40, 5.63 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1318,1319,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 105 VAL HB 109 THR MG2 4.50 (# 1625:20 Unique 2.07, 3.09 A)
&rst
ixpk= 1625, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1716,1717,1718,
&end
#
# 4 VAL HA 4 VAL MGY 3.00 (# 1631:20 Unique 2.08, 3.20 A)
&rst
ixpk= 1631, nxpk= 20, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 5 GLU HA 4 VAL MGY 7.00 (# 1632:20 Unique 3.50, 5.90 A)
&rst
ixpk= 1632, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 121 ALA HA 4 VAL MGY 5.50 (# 1633:20 Unique 5.87, 7.35 A)
&rst
ixpk= 1633, nxpk= 20, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 0 AMB 20-2:1635 4 VAL MGY 5.00 (# 1635:20 Single 0.00, 0.00 )
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1926,1875,1876,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HB 4 VAL MGY 3.00 (# 1636:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1636, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 121 ALA MB 4 VAL MGY 3.40 (# 1637:20 Unique 3.19, 5.70 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1918,1919,1920,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 16 THR HA 20 VAL MGY 6.00 (# 1639:20 Unique 1.97, 4.29 A)
&rst
ixpk= 1639, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 16 THR HB 20 VAL MGY 6.50 (# 1640:20 Unique 2.68, 5.17 A)
&rst
ixpk= 1640, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HA 20 VAL MGY 4.00 (# 1641:20 Unique 2.24, 3.13 A)
&rst
ixpk= 1641, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 21 ASP HB- 20 VAL MGY 6.00 (# 1642:20 Unique 2.31, 5.54 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 339, 340,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HB 20 VAL MGY 4.00 (# 1643:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1643, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 110 GLN HG+ 102 ALA MB 4.00 (# 1646:20 Unique 1.97, 4.17 A)
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1731,1732,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:1647 92 VAL MGX 5.00 (# 1647:20 Single 0.00, 0.00 )
&rst
ixpk= 1647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1450,1451,1359,1360,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 92 VAL HB 92 VAL MGX 3.00 (# 1648:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1648, nxpk= 20, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 46 GLY HA+ 102 ALA MB 6.00 (# 1650:20 Unique 4.43, 5.38 A)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 745, 746,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:1651 102 ALA MB 3.00 (# 1651:20 Single 0.00, 0.00 )
&rst
ixpk= 1651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
igr2=1621,1622,1623,
&end
#
# 65 VAL HA 65 VAL MGX 3.50 (# 1652:20 Unique 2.18, 3.16 A)
&rst
ixpk= 1652, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 80 VAL HB 65 VAL MGX 4.00 (# 1653:20 Unique 1.96, 3.81 A)
&rst
ixpk= 1653, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 82 VAL HB 65 VAL MGX 5.00 (# 1654:20 Unique 3.03, 5.35 A)
&rst
ixpk= 1654, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:1655 65 VAL MGX 6.00 (# 1655:20 Single 0.00, 0.00 )
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 642, 643,1593,1594,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 67 GLY HA- 65 VAL MGX 4.00 (# 1656:20 Unique 2.81, 5.65 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1111,1112,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 82 VAL MGX 65 VAL MGX 6.00 (# 1658:20 Unique 1.81, 5.71 A)
&rst
ixpk= 1658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:1669 22 ALA MB 6.60 (# 1669:20 Single 0.00, 0.00 )
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 498, 499, 397, 398,
igr2= 351, 352, 353,
&end
#
# 27 GLU HA 22 ALA MB 4.60 (# 1670:20 Unique 3.28, 4.14 A)
&rst
ixpk= 1670, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 351, 352, 353,
&end
#
# 28 ARG HA 22 ALA MB 3.60 (# 1671:20 Unique 2.03, 3.22 A)
&rst
ixpk= 1671, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 351, 352, 353,
&end
#
# 0 AMB 20-2:1672 22 ALA MB 4.60 (# 1672:20 Single 0.00, 0.00 )
&rst
ixpk= 1672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 359, 337,
igr2= 351, 352, 353,
&end
#
# 19 ILE HA 22 ALA MB 3.60 (# 1673:20 Unique 2.84, 3.84 A)
&rst
ixpk= 1673, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 351, 352, 353,
&end
#
# 19 ILE QG2 22 ALA MB 3.60 (# 1674:20 Unique 1.96, 3.51 A)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 306, 307, 308,
igr2= 351, 352, 353,
&end
#
# 22 ALA HA 22 ALA MB 3.60 (# 1675:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1675, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 351, 352, 353,
&end
#
# 19 ILE HB 22 ALA MB 3.60 (# 1677:20 Unique 1.96, 3.00 A)
&rst
ixpk= 1677, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 351, 352, 353,
&end
#
# 0 AMB 20-2:1679 22 ALA MB 4.60 (# 1679:20 Single 0.00, 0.00 )
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 428, 429, 339, 340,
igr2= 351, 352, 353,
&end
#
# 20 VAL HA 20 VAL MGX 4.00 (# 1681:20 Unique 2.24, 3.13 A)
&rst
ixpk= 1681, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HB 20 VAL MGX 4.00 (# 1682:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1682, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 2 ALA HA 2 ALA MB 5.00 (# 1685:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1685, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 25, 26, 27,
&end
#
# 122 ARG HD+ 2 ALA MB 7.00 (# 1688:20 Unique 4.10, 5.70 A)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1934,1935,
igr2= 25, 26, 27,
&end
#
# 121 ALA HA 4 VAL MGX 9.00 (# 1689:20 Unique 5.87, 7.35 A)
&rst
ixpk= 1689, nxpk= 20, iat=1916, -1, r1= 1.30, r2= 1.80, r3=12.13, r4=12.63,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 122 ARG HD+ 4 VAL MGX 3.00 (# 1690:20 Unique 2.10, 4.66 A)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1934,1935,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HB 4 VAL MGX 3.00 (# 1691:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1691, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HA 4 VAL MGX 3.00 (# 1692:20 Unique 2.08, 3.20 A)
&rst
ixpk= 1692, nxpk= 20, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 118 TYR HA 4 VAL MGX 3.70 (# 1693:20 Unique 2.40, 4.07 A)
&rst
ixpk= 1693, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 0 AMB 20-2:1694 4 VAL MGX 7.00 (# 1694:20 Single 0.00, 0.00 )
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.72, r4=13.22,
igr1= 25, 26, 27,1918,1919,1920,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 0 AMB 20-2:1697 82 VAL MGX 4.00 (# 1697:20 Single 0.00, 0.00 )
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 30 MET HA 30 MET ME 3.00 (# 1702:20 Unique 1.99, 3.01 A)
&rst
ixpk= 1702, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 481, 482, 483,
&end
#
# 75 LEU HA 30 MET ME 3.80 (# 1703:20 Unique 1.94, 3.29 A)
&rst
ixpk= 1703, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 481, 482, 483,
&end
#
# 74 CYS HB+ 30 MET ME 5.60 (# 1704:20 Unique 2.71, 4.53 A)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1200,1201,
igr2= 481, 482, 483,
&end
#
# 33 TYR HB- 30 MET ME 4.00 (# 1705:20 Unique 3.79, 5.15 A)
&rst
ixpk= 1705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 522, 523,
igr2= 481, 482, 483,
&end
#
# 30 MET HB+ 30 MET ME 4.00 (# 1706:20 Unique 3.72, 4.57 A)
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 474, 475,
igr2= 481, 482, 483,
&end
#
# 30 MET HB- 30 MET ME 4.00 (# 1707:20 Unique 3.72, 4.57 A)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 474, 475,
igr2= 481, 482, 483,
&end
#
# 0 AMB 20-2:1709 30 MET ME 3.00 (# 1709:20 Single 0.00, 0.00 )
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 477, 478,1161,1162,
igr2= 481, 482, 483,
&end
#
# 0 AMB 20-2:1710 30 MET ME 3.00 (# 1710:20 Single 0.00, 0.00 )
&rst
ixpk= 1710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
igr2= 481, 482, 483,
&end
#
# 75 LEU MDX 30 MET ME 4.00 (# 1711:20 Unique 1.98, 4.93 A)
&rst
ixpk= 1711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1216,1217,1218,1220,1221,1222,
igr2= 481, 482, 483,
&end
#
# 93 TYR HB+ 82 VAL MGX 4.00 (# 1713:20 Unique 2.65, 5.87 A)
&rst
ixpk= 1713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1478,1479,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL HB 82 VAL MGX 3.80 (# 1714:20 Unique 1.81, 3.13 A)
&rst
ixpk= 1714, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HB 82 VAL MGX 3.00 (# 1715:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1715, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL MGY 82 VAL MGX 3.00 (# 1716:20 Unique 1.92, 4.21 A)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HB- 82 VAL MGX 4.00 (# 1718:20 Unique 2.65, 5.87 A)
&rst
ixpk= 1718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1478,1479,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 32 TRP HA 19 ILE QG2 4.00 (# 1721:20 Unique 3.26, 4.96 A)
&rst
ixpk= 1721, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 306, 307, 308,
&end
#
# 28 ARG HA 19 ILE QG2 3.00 (# 1722:20 Unique 1.89, 2.66 A)
&rst
ixpk= 1722, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 306, 307, 308,
&end
#
# 31 GLY HA- 19 ILE QG2 4.50 (# 1723:20 Unique 1.92, 4.00 A)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 489, 490,
igr2= 306, 307, 308,
&end
#
# 19 ILE HG1- 19 ILE QG2 3.00 (# 1726:20 Unique 2.23, 3.50 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 310, 311,
igr2= 306, 307, 308,
&end
#
# 22 ALA MB 19 ILE QG2 3.60 (# 1727:20 Unique 1.96, 3.51 A)
&rst
ixpk= 1727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 351, 352, 353,
igr2= 306, 307, 308,
&end
#
# 18 ILE QG2 19 ILE QG2 4.00 (# 1728:20 Unique 1.93, 4.65 A)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 287, 288, 289,
igr2= 306, 307, 308,
&end
#
# 118 TYR HA 121 ALA MB 3.00 (# 1730:20 Unique 2.05, 3.34 A)
&rst
ixpk= 1730, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 121 ALA HA 121 ALA MB 3.00 (# 1731:20 Unique 2.31, 2.63 A)
&rst
ixpk= 1731, nxpk= 20, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 14 ILE HB 14 ILE QG2 3.00 (# 1732:20 Unique 2.32, 2.63 A)
&rst
ixpk= 1732, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 224, 225, 226,
&end
#
# 15 GLU HB- 14 ILE QG2 4.00 (# 1733:20 Unique 3.36, 4.64 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 241, 242,
igr2= 224, 225, 226,
&end
#
# 14 ILE QD1 14 ILE QG2 3.00 (# 1734:20 Unique 1.95, 3.51 A)
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 231, 232, 233,
igr2= 224, 225, 226,
&end
#
# 18 ILE QD1 14 ILE QG2 5.10 (# 1735:20 Unique 1.94, 4.93 A)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 294, 295, 296,
igr2= 224, 225, 226,
&end
#
# 18 ILE QG2 14 ILE QG2 5.00 (# 1736:20 Unique 3.62, 6.41 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 287, 288, 289,
igr2= 224, 225, 226,
&end
#
# 0 AMB 20-2:1739 29 ALA MB 4.00 (# 1739:20 Single 0.00, 0.00 )
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 522, 523,2002,2003,
igr2= 464, 465, 466,
&end
#
# 29 ALA HA 29 ALA MB 3.00 (# 1740:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1740, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:1742 105 VAL MGX 5.80 (# 1742:20 Single 0.00, 0.00 )
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr1=1648, 659,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 110 GLN HA 105 VAL MGX 3.00 (# 1743:20 Unique 2.74, 4.75 A)
&rst
ixpk= 1743, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 110 GLN HG+ 105 VAL MGX 3.00 (# 1744:20 Unique 2.65, 5.34 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1731,1732,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:1745 105 VAL MGX 3.60 (# 1745:20 Single 0.00, 0.00 )
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1728,1729,1662,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 102 ALA MB 105 VAL MGX 3.00 (# 1746:20 Unique 1.90, 3.42 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1621,1622,1623,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:1747 121 ALA MB 4.00 (# 1747:20 Single 0.00, 0.00 )
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,1928,1929,
igr2=1918,1919,1920,
&end
#
# 0 AMB 20-2:1748 112 ALA MB 3.00 (# 1748:20 Single 0.00, 0.00 )
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 583,1768,1799,1800,
igr2=1760,1761,1762,
&end
#
# 39 THR HB 112 ALA MB 4.00 (# 1749:20 Unique 3.06, 3.83 A)
&rst
ixpk= 1749, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:1750 0 AMB 20-1:1750 4.00 (# 1750:20 Double 0.00, 0.00 )
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1745,1746, 46,1838,
igr2=1760,1761,1762,1918,1919,1920,
&end
#
# 40 LEU MDX 112 ALA MB 4.00 (# 1751:20 Unique 1.98, 4.34 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 647, 648, 649, 651, 652, 653,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:1752 112 ALA MB 3.00 (# 1752:20 Single 0.00, 0.00 )
&rst
ixpk= 1752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 647, 648, 649, 651, 652, 653,1776,1777,
igr2=1760,1761,1762,
&end
#
# 39 THR MG2 112 ALA MB 3.00 (# 1753:20 Unique 2.03, 3.75 A)
&rst
ixpk= 1753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 630, 631, 632,
igr2=1760,1761,1762,
&end
#
# 30 MET ME 29 ALA MB 3.00 (# 1757:20 Unique 2.20, 3.64 A)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 481, 482, 483,
igr2= 464, 465, 466,
&end
#
# 97 LEU HA 80 VAL MGX 5.00 (# 1758:20 Unique 4.57, 6.39 A)
&rst
ixpk= 1758, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL HB 80 VAL MGX 3.00 (# 1759:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1759, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 20-2:1765 114 ALA MB 4.00 (# 1765:20 Single 0.00, 0.00 )
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1799,1800,1726,1768,
igr2=1789,1790,1791,
&end
#
# 0 AMB 20-2:1766 114 ALA MB 4.50 (# 1766:20 Single 0.00, 0.00 )
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1731,1732,1748,1749,
igr2=1789,1790,1791,
&end
#
# 117 LEU HB- 114 ALA MB 5.00 (# 1767:20 Unique 3.95, 5.58 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1835,1836,
igr2=1789,1790,1791,
&end
#
# 111 GLU HA 114 ALA MB 3.00 (# 1768:20 Unique 2.73, 3.85 A)
&rst
ixpk= 1768, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1789,1790,1791,
&end
#
# 114 ALA HA 114 ALA MB 3.00 (# 1769:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1769, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1789,1790,1791,
&end
#
# 0 AMB 20-2:1770 114 ALA MB 4.80 (# 1770:20 Single 0.00, 0.00 )
&rst
ixpk= 1770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1728,1729,1745,1746,1838,
igr2=1789,1790,1791,
&end
#
# 0 AMB 20-2:1771 114 ALA MB 4.00 (# 1771:20 Single 0.00, 0.00 )
&rst
ixpk= 1771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1840,1841,1842,1844,1845,1846,1772,1773,1774,
igr2=1789,1790,1791,
&end
#
# 85 ILE HA 85 ILE QG2 3.00 (# 1773:20 Unique 2.20, 3.00 A)
&rst
ixpk= 1773, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1373,1374,1375,
&end
#
# 85 ILE HB 85 ILE QG2 3.00 (# 1774:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1774, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1373,1374,1375,
&end
#
# 85 ILE HG1- 85 ILE QG2 3.00 (# 1775:20 Unique 2.26, 3.48 A)
&rst
ixpk= 1775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1377,1378,
igr2=1373,1374,1375,
&end
#
# 85 ILE HG1+ 85 ILE QG2 3.00 (# 1776:20 Unique 2.26, 3.48 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1377,1378,
igr2=1373,1374,1375,
&end
#
# 69 ALA HA 69 ALA MB 3.00 (# 1783:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1783, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1137,1138,1139,
&end
#
# 70 PRO HD- 69 ALA MB 3.00 (# 1784:20 Unique 1.88, 3.05 A)
&rst
ixpk= 1784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1144,1145,
igr2=1137,1138,1139,
&end
#
# 70 PRO HD+ 69 ALA MB 3.50 (# 1785:20 Unique 1.88, 3.05 A)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1144,1145,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:1786 69 ALA MB 4.00 (# 1786:20 Single 0.00, 0.00 )
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1281,1282,1281,1282,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:1787 69 ALA MB 4.10 (# 1787:20 Single 0.00, 0.00 )
&rst
ixpk= 1787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1185,1186,1188,1189,
igr2=1137,1138,1139,
&end
#
# 81 GLU HG+ 69 ALA MB 3.50 (# 1788:20 Unique 2.02, 4.56 A)
&rst
ixpk= 1788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1321,1322,
igr2=1137,1138,1139,
&end
#
# 58 ILE HB 58 ILE QG2 3.00 (# 1789:20 Unique 2.26, 2.63 A)
&rst
ixpk= 1789, nxpk= 20, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 964, 965, 966,
&end
#
# 58 ILE HG1+ 58 ILE QG2 3.00 (# 1790:20 Unique 2.52, 3.61 A)
&rst
ixpk= 1790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 968, 969,
igr2= 964, 965, 966,
&end
#
# 59 GLU HA 58 ILE QG2 4.00 (# 1791:20 Unique 3.72, 4.67 A)
&rst
ixpk= 1791, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 964, 965, 966,
&end
#
# 58 ILE HA 58 ILE QG2 3.00 (# 1792:20 Unique 2.60, 3.35 A)
&rst
ixpk= 1792, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 964, 965, 966,
&end
#
# 49 LYS HE+ 58 ILE QG2 4.10 (# 1793:20 Unique 1.99, 3.71 A)
&rst
ixpk= 1793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 809, 810,
igr2= 964, 965, 966,
&end
#
# 60 GLU HG+ 58 ILE QG2 3.00 (# 1794:20 Unique 2.41, 3.88 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 999,1000,
igr2= 964, 965, 966,
&end
#
# 58 ILE HG1- 58 ILE QG2 3.00 (# 1795:20 Unique 2.52, 3.61 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 968, 969,
igr2= 964, 965, 966,
&end
#
# 0 AMB 20-2:1796 58 ILE QG2 4.00 (# 1796:20 Single 0.00, 0.00 )
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 803, 804, 822, 823, 847, 848,
igr2= 964, 965, 966,
&end
#
# 48 TRP HB+ 63 VAL MGX 4.00 (# 1797:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 776, 777,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 48 TRP HB- 63 VAL MGX 4.00 (# 1798:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 776, 777,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL HB 63 VAL MGX 5.40 (# 1799:20 Unique 2.00, 4.44 A)
&rst
ixpk= 1799, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL MGX 63 VAL MGX 4.00 (# 1800:20 Unique 1.92, 4.21 A)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:1802 103 ILE QG2 5.00 (# 1802:20 Single 0.00, 0.00 )
&rst
ixpk= 1802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1609,1610,1731,1732,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:1803 103 ILE QG2 5.00 (# 1803:20 Single 0.00, 0.00 )
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 737, 738, 739, 730, 731,
igr2=1633,1634,1635,
&end
#
# 113 ILE HA 113 ILE QG2 3.00 (# 1808:20 Unique 2.38, 3.18 A)
&rst
ixpk= 1808, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1772,1773,1774,
&end
#
# 113 ILE HB 113 ILE QG2 3.00 (# 1809:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1809, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1772,1773,1774,
&end
#
# 0 AMB 20-2:1810 113 ILE QG2 3.00 (# 1810:20 Single 0.00, 0.00 )
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1589,1590,1591,1779,1780,1781,
igr2=1772,1773,1774,
&end
#
# 114 ALA HA 113 ILE QG2 5.00 (# 1811:20 Unique 2.99, 4.22 A)
&rst
ixpk= 1811, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1772,1773,1774,
&end
#
# 0 AMB 20-2:1812 113 ILE QG2 5.50 (# 1812:20 Single 0.00, 0.00 )
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1606,1607,1728,1729,
igr2=1772,1773,1774,
&end
#
# 112 ALA MB 113 ILE QG2 5.00 (# 1813:20 Unique 6.05, 7.25 A)
&rst
ixpk= 1813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1760,1761,1762,
igr2=1772,1773,1774,
&end
#
# 103 ILE HA 103 ILE QG2 3.00 (# 1814:20 Unique 2.36, 3.32 A)
&rst
ixpk= 1814, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1633,1634,1635,
&end
#
# 104 ASP HB+ 103 ILE QG2 3.00 (# 1815:20 Unique 2.29, 3.76 A)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1650,1651,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:1816 103 ILE QG2 3.00 (# 1816:20 Single 0.00, 0.00 )
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 733, 734,1650,1651,
igr2=1633,1634,1635,
&end
#
# 103 ILE HB 103 ILE QG2 3.00 (# 1817:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1817, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1633,1634,1635,
&end
#
# 46 GLY HA+ 100 ILE QG2 5.00 (# 1820:20 Unique 2.36, 4.37 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 745, 746,
igr2=1589,1590,1591,
&end
#
# 100 ILE HB 100 ILE QG2 3.00 (# 1821:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1821, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1589,1590,1591,
&end
#
# 100 ILE HG1+ 100 ILE QG2 3.00 (# 1822:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1593,1594,
igr2=1589,1590,1591,
&end
#
# 65 VAL MGX 100 ILE QG2 4.80 (# 1823:20 Unique 3.59, 6.68 A)
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1=1080,1081,1082,1084,1085,1086,
igr2=1589,1590,1591,
&end
#
# 0 AMB 20-2:1824 100 ILE QG2 4.50 (# 1824:20 Single 0.00, 0.00 )
&rst
ixpk= 1824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=1606,1607,1838, 737, 738, 739,1047,
igr2=1589,1590,1591,
&end
#
# 45 MET HG+ 45 MET ME 3.60 (# 1825:20 Unique 2.25, 3.60 A)
&rst
ixpk= 1825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 733, 734,
igr2= 737, 738, 739,
&end
#
# 45 MET HG- 45 MET ME 3.00 (# 1826:20 Unique 2.25, 3.60 A)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 733, 734,
igr2= 737, 738, 739,
&end
#
# 62 THR MG2 45 MET ME 3.00 (# 1828:20 Unique 1.93, 3.31 A)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1035,1036,1037,
igr2= 737, 738, 739,
&end
#
# 103 ILE QD1 45 MET ME 4.00 (# 1829:20 Unique 1.96, 3.85 A)
&rst
ixpk= 1829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1640,1641,1642,
igr2= 737, 738, 739,
&end
#
# 85 ILE HG1- 45 MET ME 5.00 (# 1832:20 Unique 2.91, 5.39 A)
&rst
ixpk= 1832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1377,1378,
igr2= 737, 738, 739,
&end
#
# 33 TYR HA 68 MET ME 4.00 (# 1833:20 Unique 2.33, 3.62 A)
&rst
ixpk= 1833, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1127,1128,1129,
&end
#
# 68 MET HG+ 68 MET ME 3.00 (# 1834:20 Unique 2.21, 3.64 A)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1123,1124,
igr2=1127,1128,1129,
&end
#
# 36 LEU HB+ 68 MET ME 5.00 (# 1836:20 Unique 1.95, 4.64 A)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 585, 586,
igr2=1127,1128,1129,
&end
#
# 0 AMB 20-2:1837 68 MET ME 5.00 (# 1837:20 Single 0.00, 0.00 )
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1267,1268,1137,1138,1139,
igr2=1127,1128,1129,
&end
#
# 0 AMB 20-2:1838 68 MET ME 3.00 (# 1838:20 Single 0.00, 0.00 )
&rst
ixpk= 1838, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 590, 591, 592, 594, 595, 596,1304,1305,1306,1308,
1309,1310,
igr2=1127,1128,1129,
&end
#
# 36 LEU MDX 68 MET ME 3.00 (# 1839:20 Unique 1.85, 4.83 A)
&rst
ixpk= 1839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 590, 591, 592, 594, 595, 596,
igr2=1127,1128,1129,
&end
#
# 11 GLU HA 14 ILE QD1 5.00 (# 1846:20 Unique 4.57, 6.04 A)
&rst
ixpk= 1846, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 231, 232, 233,
&end
#
# 119 TRP HB+ 14 ILE QD1 5.00 (# 1847:20 Unique 2.88, 3.99 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1875,1876,
igr2= 231, 232, 233,
&end
#
# 14 ILE HB 14 ILE QD1 4.00 (# 1848:20 Unique 2.38, 3.24 A)
&rst
ixpk= 1848, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 231, 232, 233,
&end
#
# 14 ILE QG2 14 ILE QD1 3.00 (# 1849:20 Unique 1.95, 3.51 A)
&rst
ixpk= 1849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 224, 225, 226,
igr2= 231, 232, 233,
&end
#
# 18 ILE QD1 14 ILE QD1 5.00 (# 1850:20 Unique 2.14, 4.14 A)
&rst
ixpk= 1850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 294, 295, 296,
igr2= 231, 232, 233,
&end
#
# 110 GLN HA 113 ILE QD1 3.00 (# 1853:20 Unique 1.96, 3.15 A)
&rst
ixpk= 1853, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1779,1780,1781,
&end
#
# 113 ILE HG1+ 113 ILE QD1 3.00 (# 1854:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1776,1777,
igr2=1779,1780,1781,
&end
#
# 113 ILE HB 113 ILE QD1 3.00 (# 1855:20 Unique 2.03, 2.89 A)
&rst
ixpk= 1855, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1779,1780,1781,
&end
#
# 112 ALA MB 113 ILE QD1 4.40 (# 1856:20 Unique 3.39, 5.68 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1760,1761,1762,
igr2=1779,1780,1781,
&end
#
# 113 ILE QG2 113 ILE QD1 3.00 (# 1857:20 Unique 2.64, 4.26 A)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1772,1773,1774,
igr2=1779,1780,1781,
&end
#
# 35 TYR HB+ 18 ILE QG2 4.00 (# 1858:20 Unique 2.49, 4.65 A)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 564, 565,
igr2= 287, 288, 289,
&end
#
# 19 ILE QG2 18 ILE QG2 3.00 (# 1859:20 Unique 1.93, 4.65 A)
&rst
ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 306, 307, 308,
igr2= 287, 288, 289,
&end
#
# 18 ILE HG1- 18 ILE QG2 4.00 (# 1860:20 Unique 2.52, 3.51 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 291, 292,
igr2= 287, 288, 289,
&end
#
# 32 TRP HA 18 ILE QG2 3.00 (# 1861:20 Unique 1.93, 2.41 A)
&rst
ixpk= 1861, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 287, 288, 289,
&end
#
# 18 ILE HA 18 ILE QG2 3.00 (# 1862:20 Unique 2.36, 3.20 A)
&rst
ixpk= 1862, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 287, 288, 289,
&end
#
# 35 TYR HB- 18 ILE QG2 4.00 (# 1863:20 Unique 2.49, 4.65 A)
&rst
ixpk= 1863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 564, 565,
igr2= 287, 288, 289,
&end
#
# 0 AMB 20-2:1864 18 ILE QG2 3.00 (# 1864:20 Single 0.00, 0.00 )
&rst
ixpk= 1864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 310, 311, 285,
igr2= 287, 288, 289,
&end
#
# 18 ILE QD1 18 ILE QG2 3.00 (# 1865:20 Unique 1.94, 3.59 A)
&rst
ixpk= 1865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 294, 295, 296,
igr2= 287, 288, 289,
&end
#
# 103 ILE HA 103 ILE QD1 4.00 (# 1866:20 Unique 2.30, 3.70 A)
&rst
ixpk= 1866, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1640,1641,1642,
&end
#
# 46 GLY HA+ 103 ILE QD1 6.00 (# 1867:20 Unique 1.97, 3.98 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 745, 746,
igr2=1640,1641,1642,
&end
#
# 47 LYS HE+ 103 ILE QD1 3.00 (# 1868:20 Unique 2.38, 3.93 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 763, 764,
igr2=1640,1641,1642,
&end
#
# 45 MET HG- 103 ILE QD1 4.00 (# 1869:20 Unique 2.18, 5.11 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 733, 734,
igr2=1640,1641,1642,
&end
#
# 45 MET HB- 103 ILE QD1 5.50 (# 1870:20 Unique 4.41, 6.83 A)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 730, 731,
igr2=1640,1641,1642,
&end
#
# 0 AMB 20-2:1871 103 ILE QD1 3.00 (# 1871:20 Single 0.00, 0.00 )
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 737, 738, 739,1606,1607,
igr2=1640,1641,1642,
&end
#
# 0 AMB 20-2:1872 103 ILE QD1 3.00 (# 1872:20 Single 0.00, 0.00 )
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 760, 761,1637,1638,1631,
igr2=1640,1641,1642,
&end
#
# 62 THR MG2 103 ILE QD1 4.00 (# 1873:20 Unique 3.24, 6.14 A)
&rst
ixpk= 1873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1035,1036,1037,
igr2=1640,1641,1642,
&end
#
# 103 ILE HG1+ 103 ILE QD1 3.00 (# 1874:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1637,1638,
igr2=1640,1641,1642,
&end
#
# 18 ILE HA 18 ILE QD1 4.00 (# 1876:20 Unique 2.32, 4.42 A)
&rst
ixpk= 1876, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:1877 18 ILE QD1 6.00 (# 1877:20 Single 0.00, 0.00 )
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 273, 274,1745,1746,
igr2= 294, 295, 296,
&end
#
# 18 ILE HB 18 ILE QD1 4.00 (# 1878:20 Unique 2.35, 3.23 A)
&rst
ixpk= 1878, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 294, 295, 296,
&end
#
# 18 ILE HG1- 18 ILE QD1 3.00 (# 1879:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 291, 292,
igr2= 294, 295, 296,
&end
#
# 18 ILE QG2 18 ILE QD1 3.00 (# 1880:20 Unique 1.94, 3.59 A)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 287, 288, 289,
igr2= 294, 295, 296,
&end
#
# 18 ILE HG1+ 18 ILE QD1 3.00 (# 1881:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 291, 292,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:1882 85 ILE QD1 7.00 (# 1882:20 Single 0.00, 0.00 )
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1650,1651, 776, 777,
igr2=1380,1381,1382,
&end
#
# 45 MET HG+ 85 ILE QD1 5.20 (# 1884:20 Unique 4.46, 5.29 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 733, 734,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:1885 85 ILE QD1 3.00 (# 1885:20 Single 0.00, 0.00 )
&rst
ixpk= 1885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1371,1063,1064,
igr2=1380,1381,1382,
&end
#
# 64 GLU HB- 85 ILE QD1 4.00 (# 1886:20 Unique 2.72, 4.43 A)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1063,1064,
igr2=1380,1381,1382,
&end
#
# 85 ILE HG1- 85 ILE QD1 3.00 (# 1887:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1377,1378,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:1888 85 ILE QD1 3.00 (# 1888:20 Single 0.00, 0.00 )
&rst
ixpk= 1888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1035,1036,1037,1377,1378,
igr2=1380,1381,1382,
&end
#
# 51 LYS HA 58 ILE QD1 4.00 (# 1891:20 Unique 2.01, 4.13 A)
&rst
ixpk= 1891, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 971, 972, 973,
&end
#
# 49 LYS HE+ 58 ILE QD1 5.00 (# 1892:20 Unique 2.77, 5.38 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 809, 810,
igr2= 971, 972, 973,
&end
#
# 58 ILE HG1- 58 ILE QD1 3.00 (# 1893:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 968, 969,
igr2= 971, 972, 973,
&end
#
# 51 LYS HG+ 58 ILE QD1 3.20 (# 1894:20 Unique 2.38, 4.54 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 847, 848,
igr2= 971, 972, 973,
&end
#
# 58 ILE HG1+ 58 ILE QD1 3.00 (# 1895:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 968, 969,
igr2= 971, 972, 973,
&end
#
# 19 ILE HA 19 ILE QD1 5.00 (# 1898:20 Unique 3.78, 4.60 A)
&rst
ixpk= 1898, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 313, 314, 315,
&end
#
# 17 GLU HG+ 19 ILE QD1 7.00 (# 1900:20 Unique 6.62, 8.39 A)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 273, 274,
igr2= 313, 314, 315,
&end
#
# 58 ILE HB 58 ILE QD1 4.00 (# 1901:20 Unique 3.35, 3.83 A)
&rst
ixpk= 1901, nxpk= 20, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 971, 972, 973,
&end
#
# 0 AMB 20-2:1902 100 ILE QD1 4.00 (# 1902:20 Single 0.00, 0.00 )
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1550,1551,1552,1554,1555,1556,1840,1841,1842,1844,
1845,1846,
igr2=1596,1597,1598,
&end
#
# 100 ILE QG2 100 ILE QD1 4.00 (# 1903:20 Unique 1.90, 3.87 A)
&rst
ixpk= 1903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1589,1590,1591,
igr2=1596,1597,1598,
&end
#
# 100 ILE HG1+ 100 ILE QD1 3.00 (# 1904:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1593,1594,
igr2=1596,1597,1598,
&end
#
# 0 AMB 20-2:1905 100 ILE QD1 4.80 (# 1905:20 Single 0.00, 0.00 )
&rst
ixpk= 1905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1= 776, 777, 745, 746,
igr2=1596,1597,1598,
&end
#
# 100 ILE HG1- 100 ILE QD1 3.00 (# 1906:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1593,1594,
igr2=1596,1597,1598,
&end
#
# 58 ILE HN 57 THR HB 5.00 (# 1907:20 Unique 3.85, 4.33 A)
&rst
ixpk= 1907, nxpk= 20, iat= 958, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 THR HN 94 THR HB 3.50 (# 1908:20 Unique 2.95, 3.06 A)
&rst
ixpk= 1908, nxpk= 20, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 VAL HN 62 THR HB 5.00 (# 1909:20 Unique 3.81, 4.10 A)
&rst
ixpk= 1909, nxpk= 20, iat=1043,1033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 THR HN 62 THR HB 3.50 (# 1910:20 Unique 2.68, 2.79 A)
&rst
ixpk= 1910, nxpk= 20, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 THR HA 62 THR HB 3.50 (# 1911:20 Unique 2.96, 3.00 A)
&rst
ixpk= 1911, nxpk= 20, iat=1031,1033, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 THR HN 9 THR HB 3.40 (# 1912:20 Unique 2.25, 2.32 A)
&rst
ixpk= 1912, nxpk= 20, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 10 ARG HN 9 THR HB 4.00 (# 1913:20 Unique 4.06, 4.12 A)
&rst
ixpk= 1913, nxpk= 20, iat= 138, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 113 ILE HN 113 ILE HA 3.50 (# 1914:20 Unique 2.74, 2.75 A)
&rst
ixpk= 1914, nxpk= 20, iat=1766,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 THR HN 9 THR HA 3.50 (# 1915:20 Unique 2.80, 2.85 A)
&rst
ixpk= 1915, nxpk= 20, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR HN 39 THR HA 3.50 (# 1916:20 Unique 2.83, 2.87 A)
&rst
ixpk= 1916, nxpk= 20, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ASP HN 70 PRO HA 3.00 (# 1918:20 Unique 2.23, 2.35 A)
&rst
ixpk= 1918, nxpk= 20, iat=1157,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1919 0 AMB 20-1:1919 6.00 (# 1919:20 Double 0.00, 0.00 )
&rst
ixpk= 1919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 977, 862,
igr2= 866, 867, 866, 867,
&end
#
# 17 GLU HN 16 THR HA 4.00 (# 1922:20 Unique 2.87, 2.95 A)
&rst
ixpk= 1922, nxpk= 20, iat= 266, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 THR HN 16 THR HA 3.50 (# 1923:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1923, nxpk= 20, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 SER HN 98 SER HB- 3.50 (# 1925:20 Unique 2.09, 2.96 A)
&rst
ixpk= 1925, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1564,1565,
&end
#
# 99 ASP HN 98 SER HB- 4.00 (# 1926:20 Unique 2.74, 3.58 A)
&rst
ixpk= 1926, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1564,1565,
&end
#
# 20 VAL HN 20 VAL HA 3.50 (# 1927:20 Unique 2.28, 2.28 A)
&rst
ixpk= 1927, nxpk= 20, iat= 319, 321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HN 65 VAL HA 2.80 (# 1928:20 Unique 2.14, 2.18 A)
&rst
ixpk= 1928, nxpk= 20, iat=1090,1076, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 ASP HN 34 TYR HA 4.50 (# 1929:20 Unique 3.85, 4.05 A)
&rst
ixpk= 1929, nxpk= 20, iat= 600, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 TYR HD- 34 TYR HA 4.00 (# 1930:20 Unique 2.59, 3.37 A)
&rst
ixpk= 1930, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 547, 556,
&end
#
# 34 TYR HN 34 TYR HA 3.50 (# 1931:20 Unique 2.68, 2.71 A)
&rst
ixpk= 1931, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 TYR HD+ 34 TYR HA 4.00 (# 1932:20 Unique 2.59, 3.37 A)
&rst
ixpk= 1932, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 547, 556,
&end
#
# 86 GLY HN 85 ILE HA 3.50 (# 1933:20 Unique 2.61, 2.64 A)
&rst
ixpk= 1933, nxpk= 20, iat=1386,1369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ILE HN 85 ILE HA 3.00 (# 1934:20 Unique 2.87, 2.89 A)
&rst
ixpk= 1934, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU HN 35 TYR HA 5.00 (# 1937:20 Unique 3.44, 3.47 A)
&rst
ixpk= 1937, nxpk= 20, iat= 581, 562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 TYR HD+ 35 TYR HA 4.00 (# 1938:20 Unique 2.11, 3.68 A)
&rst
ixpk= 1938, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 568, 577,
&end
#
# 58 ILE HN 57 THR HA 3.50 (# 1939:20 Unique 2.15, 2.85 A)
&rst
ixpk= 1939, nxpk= 20, iat= 958, 946, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1940 118 TYR HA 3.00 (# 1940:20 Single 0.00, 0.00 )
&rst
ixpk= 1940, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1850,1914,1871,
&end
#
# 32 TRP HN 32 TRP HA 3.50 (# 1941:20 Unique 2.70, 2.75 A)
&rst
ixpk= 1941, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HN 35 TYR HA 3.50 (# 1942:20 Unique 2.80, 2.85 A)
&rst
ixpk= 1942, nxpk= 20, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1944 119 TRP HA 7.50 (# 1944:20 Single 0.00, 0.00 )
&rst
ixpk= 1944, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
igr1=1955,1963,1972,
&end
#
# 0 AMB 20-2:1945 58 ILE HA 2.80 (# 1945:20 Single 0.00, 0.00 )
&rst
ixpk= 1945, nxpk= 20, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 977, 862,
&end
#
# 0 AMB 20-2:1946 103 ILE HA 2.80 (# 1946:20 Single 0.00, 0.00 )
&rst
ixpk= 1946, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1646,1627,
&end
#
# 28 ARG HN 28 ARG HA 3.50 (# 1947:20 Unique 2.75, 2.77 A)
&rst
ixpk= 1947, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HN 4 VAL HA 3.50 (# 1948:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1948, nxpk= 20, iat= 42, 44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 GLU HN 4 VAL HA 4.00 (# 1949:20 Unique 2.92, 3.05 A)
&rst
ixpk= 1949, nxpk= 20, iat= 58, 44, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 105 VAL HN 103 ILE HA 4.50 (# 1950:20 Unique 3.44, 3.87 A)
&rst
ixpk= 1950, nxpk= 20, iat=1658,1629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ILE HN 19 ILE HA 3.50 (# 1951:20 Unique 2.85, 2.92 A)
&rst
ixpk= 1951, nxpk= 20, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 19 ILE HA 5.00 (# 1952:20 Unique 3.41, 3.51 A)
&rst
ixpk= 1952, nxpk= 20, iat= 319, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 GLU HN 26 GLU HA 3.00 (# 1953:20 Unique 2.87, 2.91 A)
&rst
ixpk= 1953, nxpk= 20, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 ARG HN 10 ARG HA 4.00 (# 1954:20 Unique 2.94, 2.94 A)
&rst
ixpk= 1954, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE HN 13 ARG HA 4.00 (# 1955:20 Unique 3.55, 3.56 A)
&rst
ixpk= 1955, nxpk= 20, iat= 218, 196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 ARG HN 13 ARG HA 3.50 (# 1957:20 Unique 2.71, 2.72 A)
&rst
ixpk= 1957, nxpk= 20, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP HN 98 SER HA 4.00 (# 1958:20 Unique 3.46, 3.49 A)
&rst
ixpk= 1958, nxpk= 20, iat=1571,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 ALA HN 26 GLU HA 4.00 (# 1959:20 Unique 3.54, 3.64 A)
&rst
ixpk= 1959, nxpk= 20, iat= 460, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1961 12 HIS HA 3.50 (# 1961:20 Single 0.00, 0.00 )
&rst
ixpk= 1961, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 177, 237,
&end
#
# 11 GLU HN 11 GLU HA 3.00 (# 1963:20 Unique 2.65, 2.67 A)
&rst
ixpk= 1963, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1964 0 AMB 20-1:1964 3.00 (# 1964:20 Double 0.00, 0.00 )
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 237, 177,
igr2= 239, 111,
&end
#
# 11 GLU HN 8 GLU HA 4.00 (# 1965:20 Unique 3.42, 3.51 A)
&rst
ixpk= 1965, nxpk= 20, iat= 162, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 GLU HN 110 GLN HA 4.00 (# 1967:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1967, nxpk= 20, iat=1741,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 GLN HN 110 GLN HA 3.00 (# 1968:20 Unique 2.74, 2.75 A)
&rst
ixpk= 1968, nxpk= 20, iat=1724,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 116 TRP HN 116 TRP HA 3.50 (# 1970:20 Unique 2.79, 2.82 A)
&rst
ixpk= 1970, nxpk= 20, iat=1807,1809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 111 GLU HN 111 GLU HA 3.00 (# 1971:20 Unique 2.70, 2.71 A)
&rst
ixpk= 1971, nxpk= 20, iat=1741,1743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1972 36 LEU HA 4.00 (# 1972:20 Single 0.00, 0.00 )
&rst
ixpk= 1972, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 624, 570, 575,
&end
#
# 112 ALA HN 111 GLU HA 4.00 (# 1973:20 Unique 3.52, 3.56 A)
&rst
ixpk= 1973, nxpk= 20, iat=1756,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 107 ASP HN 107 ASP HA 3.00 (# 1975:20 Unique 2.84, 2.86 A)
&rst
ixpk= 1975, nxpk= 20, iat=1686,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 LEU HN 117 LEU HA 3.00 (# 1977:20 Unique 2.70, 2.73 A)
&rst
ixpk= 1977, nxpk= 20, iat=1831,1833, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1978 117 LEU HA 4.00 (# 1978:20 Single 0.00, 0.00 )
&rst
ixpk= 1978, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1914,1850,
&end
#
# 42 PHE HD- 37 ASP HA 4.00 (# 1979:20 Unique 1.93, 4.68 A)
&rst
ixpk= 1979, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 680, 688,
&end
#
# 37 ASP HN 37 ASP HA 3.00 (# 1980:20 Unique 2.78, 2.83 A)
&rst
ixpk= 1980, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HN 108 ASP HA 4.00 (# 1981:20 Unique 3.56, 3.56 A)
&rst
ixpk= 1981, nxpk= 20, iat=1710,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 108 ASP HN 108 ASP HA 3.00 (# 1983:20 Unique 2.75, 2.77 A)
&rst
ixpk= 1983, nxpk= 20, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HN 107 ASP HA 5.00 (# 1984:20 Unique 4.60, 4.68 A)
&rst
ixpk= 1984, nxpk= 20, iat=1710,1688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 108 ASP HN 107 ASP HA 4.00 (# 1985:20 Unique 3.54, 3.55 A)
&rst
ixpk= 1985, nxpk= 20, iat=1698,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 GLN HN 107 ASP HA 4.00 (# 1986:20 Unique 3.86, 3.93 A)
&rst
ixpk= 1986, nxpk= 20, iat=1724,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 LEU HN 117 LEU HA 4.50 (# 1987:20 Unique 3.67, 3.80 A)
&rst
ixpk= 1987, nxpk= 20, iat=1895,1833, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ASP HN 71 ASP HA 3.50 (# 1989:20 Unique 2.74, 2.78 A)
&rst
ixpk= 1989, nxpk= 20, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 ASP HN 71 ASP HA 4.00 (# 1990:20 Unique 3.28, 3.41 A)
&rst
ixpk= 1990, nxpk= 20, iat=1169,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 ASP HN 97 LEU HA 4.00 (# 1991:20 Unique 4.05, 4.13 A)
&rst
ixpk= 1991, nxpk= 20, iat=1571,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 LYS HN 96 LYS HA 3.20 (# 1992:20 Unique 2.27, 2.28 A)
&rst
ixpk= 1992, nxpk= 20, iat=1519,1521, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 97 LEU HN 96 LYS HA 4.00 (# 1993:20 Unique 3.52, 3.54 A)
&rst
ixpk= 1993, nxpk= 20, iat=1541,1521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 TYR HA 96 LYS HA 4.00 (# 1995:20 Unique 6.07, 6.38 A)
&rst
ixpk= 1995, nxpk= 20, iat=1279,1521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 GLU HN 23 GLU HA 3.60 (# 1996:20 Unique 2.94, 2.95 A)
&rst
ixpk= 1996, nxpk= 20, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 24 ASP HN 23 GLU HA 4.60 (# 1997:20 Unique 3.25, 3.32 A)
&rst
ixpk= 1997, nxpk= 20, iat= 372, 359, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 7 ASP HN 6 ARG HA 5.00 (# 1999:20 Unique 3.44, 3.49 A)
&rst
ixpk= 1999, nxpk= 20, iat= 97, 75, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 ARG HN 6 ARG HA 3.50 (# 2000:20 Unique 2.91, 2.94 A)
&rst
ixpk= 2000, nxpk= 20, iat= 73, 75, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HN 17 GLU HA 3.00 (# 2001:20 Unique 2.92, 2.93 A)
&rst
ixpk= 2001, nxpk= 20, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 ILE HN 17 GLU HA 4.00 (# 2002:20 Unique 3.46, 3.49 A)
&rst
ixpk= 2002, nxpk= 20, iat= 281, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 LEU HN 120 LEU HA 3.50 (# 2005:20 Unique 2.88, 2.91 A)
&rst
ixpk= 2005, nxpk= 20, iat=1895,1897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2006 120 LEU HA 4.00 (# 2006:20 Single 0.00, 0.00 )
&rst
ixpk= 2006, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1914,1871,
&end
#
# 73 GLU HN 73 GLU HA 3.60 (# 2008:20 Unique 2.91, 2.93 A)
&rst
ixpk= 2008, nxpk= 20, iat=1181,1183, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 74 CYS HN 73 GLU HA 5.00 (# 2009:20 Unique 3.52, 3.56 A)
&rst
ixpk= 2009, nxpk= 20, iat=1196,1183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LYS HN 88 LYS HA 3.00 (# 2010:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2010, nxpk= 20, iat=1400,1402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2011 88 LYS HA 4.00 (# 2011:20 Single 0.00, 0.00 )
&rst
ixpk= 2011, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1422,1434,
&end
#
# 0 AMB 20-2:2012 51 LYS HA 4.00 (# 2012:20 Single 0.00, 0.00 )
&rst
ixpk= 2012, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 862, 977,
&end
#
# 75 LEU HN 75 LEU HA 3.00 (# 2013:20 Unique 2.28, 2.87 A)
&rst
ixpk= 2013, nxpk= 20, iat=1207,1209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 LEU HN 66 LEU HA 3.50 (# 2015:20 Unique 2.88, 2.92 A)
&rst
ixpk= 2015, nxpk= 20, iat=1090,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLY HN 66 LEU HA 4.00 (# 2016:20 Unique 3.19, 3.34 A)
&rst
ixpk= 2016, nxpk= 20, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 ASP HN 38 ASP HA 3.00 (# 2017:20 Unique 2.73, 2.78 A)
&rst
ixpk= 2017, nxpk= 20, iat= 612, 614, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 6 ARG HN 5 GLU HA 4.00 (# 2018:20 Unique 2.69, 2.72 A)
&rst
ixpk= 2018, nxpk= 20, iat= 73, 60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 GLU HN 5 GLU HA 4.00 (# 2019:20 Unique 2.79, 2.84 A)
&rst
ixpk= 2019, nxpk= 20, iat= 58, 60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 LEU HN 40 LEU HA 3.50 (# 2020:20 Unique 2.73, 2.79 A)
&rst
ixpk= 2020, nxpk= 20, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 PHE HD- 38 ASP HA 6.00 (# 2021:20 Unique 3.46, 6.46 A)
&rst
ixpk= 2021, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 680, 688,
&end
#
# 48 TRP HE1 50 LYS HA 4.50 (# 2022:20 Unique 3.84, 4.07 A)
&rst
ixpk= 2022, nxpk= 20, iat= 782, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 GLU HN 40 LEU HA 3.00 (# 2023:20 Unique 2.25, 2.38 A)
&rst
ixpk= 2023, nxpk= 20, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2025 49 LYS HA 3.00 (# 2025:20 Single 0.00, 0.00 )
&rst
ixpk= 2025, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 796,1007,
&end
#
# 50 LYS HN 49 LYS HA 3.00 (# 2026:20 Unique 2.22, 2.23 A)
&rst
ixpk= 2026, nxpk= 20, iat= 818, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 LEU HN 114 ALA HA 4.00 (# 2027:20 Unique 3.23, 3.45 A)
&rst
ixpk= 2027, nxpk= 20, iat=1831,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LYS HN 50 LYS HA 3.00 (# 2028:20 Unique 2.16, 2.37 A)
&rst
ixpk= 2028, nxpk= 20, iat= 840, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 50 LYS HN 50 LYS HA 3.00 (# 2029:20 Unique 2.89, 2.91 A)
&rst
ixpk= 2029, nxpk= 20, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 ASP HN 89 ASP HA 4.00 (# 2030:20 Unique 4.00, 4.07 A)
&rst
ixpk= 2030, nxpk= 20, iat=1446,1424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 ASP HN 21 ASP HA 3.00 (# 2031:20 Unique 2.76, 2.91 A)
&rst
ixpk= 2031, nxpk= 20, iat= 335, 337, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 ALA HN 21 ASP HA 4.60 (# 2032:20 Unique 3.49, 3.51 A)
&rst
ixpk= 2032, nxpk= 20, iat= 347, 337, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 2 ALA HN 1 MET HA 5.00 (# 2033:20 Unique 2.14, 2.97 A)
&rst
ixpk= 2033, nxpk= 20, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 104 ASP HN 104 ASP HA 3.00 (# 2034:20 Unique 2.28, 2.28 A)
&rst
ixpk= 2034, nxpk= 20, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 ASP HN 72 ASP HA 3.00 (# 2036:20 Unique 2.77, 2.89 A)
&rst
ixpk= 2036, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 CYS HN 72 ASP HA 5.60 (# 2037:20 Unique 4.60, 4.97 A)
&rst
ixpk= 2037, nxpk= 20, iat=1196,1171, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 32 TRP HN 29 ALA HA 4.00 (# 2039:20 Unique 3.65, 3.86 A)
&rst
ixpk= 2039, nxpk= 20, iat= 494, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 MET HN 29 ALA HA 4.00 (# 2040:20 Unique 3.49, 3.50 A)
&rst
ixpk= 2040, nxpk= 20, iat= 470, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 ALA HN 29 ALA HA 3.00 (# 2041:20 Unique 2.76, 2.79 A)
&rst
ixpk= 2041, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 86 GLY HN 89 ASP HA 5.00 (# 2043:20 Unique 3.44, 3.62 A)
&rst
ixpk= 2043, nxpk= 20, iat=1386,1424, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 ASP HN 89 ASP HA 2.80 (# 2044:20 Unique 2.28, 2.29 A)
&rst
ixpk= 2044, nxpk= 20, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 GLU HN 59 GLU HA 2.80 (# 2045:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2045, nxpk= 20, iat= 992, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 122 ARG HN 121 ALA HA 4.00 (# 2047:20 Unique 3.41, 3.52 A)
&rst
ixpk= 2047, nxpk= 20, iat=1924,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 PHE HN 41 GLU HA 4.00 (# 2049:20 Unique 3.03, 3.14 A)
&rst
ixpk= 2049, nxpk= 20, iat= 672, 659, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 LYS HN 124 TYR HA 5.00 (# 2050:20 Unique 2.89, 3.34 A)
&rst
ixpk= 2050, nxpk= 20, iat=1976,1957, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 TYR HD+ 124 TYR HA 5.60 (# 2051:20 Unique 1.89, 4.06 A)
&rst
ixpk= 2051, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1963,1972,
&end
#
# 0 AMB 20-2:2052 124 TYR HA 4.00 (# 2052:20 Single 0.00, 0.00 )
&rst
ixpk= 2052, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1963,1972,1955,
&end
#
# 121 ALA HN 121 ALA HA 3.00 (# 2053:20 Unique 2.72, 2.75 A)
&rst
ixpk= 2053, nxpk= 20, iat=1914,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 GLY HN 121 ALA HA 4.00 (# 2054:20 Unique 3.49, 3.80 A)
&rst
ixpk= 2054, nxpk= 20, iat=1948,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 GLY HN 122 ARG HA 3.80 (# 2055:20 Unique 2.80, 3.19 A)
&rst
ixpk= 2055, nxpk= 20, iat=1948,1926, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 122 ARG HN 122 ARG HA 3.50 (# 2056:20 Unique 2.75, 2.85 A)
&rst
ixpk= 2056, nxpk= 20, iat=1924,1926, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ASP HN 106 ASP HA 3.00 (# 2057:20 Unique 2.71, 2.74 A)
&rst
ixpk= 2057, nxpk= 20, iat=1686,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 ASP HN 106 ASP HA 3.00 (# 2058:20 Unique 2.88, 2.92 A)
&rst
ixpk= 2058, nxpk= 20, iat=1674,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 GLY HA- 102 ALA HA 3.50 (# 2060:20 Unique 2.17, 2.94 A)
&rst
ixpk= 2060, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 745, 746,
&end
#
# 0 AMB 20-2:2061 102 ALA HA 3.00 (# 2061:20 Single 0.00, 0.00 )
&rst
ixpk= 2061, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1617, 750,
&end
#
# 103 ILE HN 102 ALA HA 2.80 (# 2062:20 Unique 2.14, 2.15 A)
&rst
ixpk= 2062, nxpk= 20, iat=1627,1619, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 GLU HN 22 ALA HA 3.40 (# 2063:20 Unique 2.15, 2.17 A)
&rst
ixpk= 2063, nxpk= 20, iat= 357, 349, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 24 ASP HN 22 ALA HA 4.40 (# 2064:20 Unique 3.23, 3.30 A)
&rst
ixpk= 2064, nxpk= 20, iat= 372, 349, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 ALA HN 22 ALA HA 3.60 (# 2065:20 Unique 2.71, 2.77 A)
&rst
ixpk= 2065, nxpk= 20, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 3 SER HN 2 ALA HA 5.00 (# 2067:20 Unique 2.15, 2.50 A)
&rst
ixpk= 2067, nxpk= 20, iat= 31, 23, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 ALA HN 69 ALA HA 3.50 (# 2070:20 Unique 2.81, 2.86 A)
&rst
ixpk= 2070, nxpk= 20, iat=1133,1135, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 GLY HN 31 GLY HA+ 3.00 (# 2078:20 Unique 2.29, 2.55 A)
&rst
ixpk= 2078, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 489, 490,
&end
#
# 32 TRP HN 31 GLY HA+ 3.50 (# 2079:20 Unique 2.52, 3.09 A)
&rst
ixpk= 2079, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 32 TRP HN 31 GLY HA- 3.50 (# 2080:20 Unique 2.52, 3.09 A)
&rst
ixpk= 2080, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 31 GLY HN 31 GLY HA- 3.00 (# 2081:20 Unique 2.29, 2.55 A)
&rst
ixpk= 2081, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 489, 490,
&end
#
# 85 ILE HN 86 GLY HA+ 5.00 (# 2083:20 Unique 4.78, 5.24 A)
&rst
ixpk= 2083, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1388,1389,
&end
#
# 86 GLY HN 86 GLY HA+ 3.00 (# 2084:20 Unique 2.71, 2.81 A)
&rst
ixpk= 2084, nxpk= 20, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1388,1389,
&end
#
# 87 GLY HN 86 GLY HA+ 3.00 (# 2085:20 Unique 2.93, 3.24 A)
&rst
ixpk= 2085, nxpk= 20, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1388,1389,
&end
#
# 88 LYS HN 87 GLY HA- 3.50 (# 2087:20 Unique 2.28, 2.97 A)
&rst
ixpk= 2087, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1395,1396,
&end
#
# 0 AMB 20-2:2088 0 AMB 20-1:2088 5.00 (# 2088:20 Double 0.00, 0.00 )
&rst
ixpk= 2088, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1386,1355,
igr2=1395,1396,1395,1396,
&end
#
# 0 AMB 20-2:2089 0 AMB 20-1:2089 6.50 (# 2089:20 Double 0.00, 0.00 )
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
igr1=1367,1434,
igr2=1395,1396,1395,1396,
&end
#
# 88 LYS HN 87 GLY HA+ 3.50 (# 2090:20 Unique 2.28, 2.97 A)
&rst
ixpk= 2090, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1395,1396,
&end
#
# 87 GLY HN 87 GLY HA- 3.00 (# 2091:20 Unique 2.32, 2.62 A)
&rst
ixpk= 2091, nxpk= 20, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1395,1396,
&end
#
# 87 GLY HN 87 GLY HA+ 3.00 (# 2092:20 Unique 2.32, 2.62 A)
&rst
ixpk= 2092, nxpk= 20, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1395,1396,
&end
#
# 103 ILE HN 46 GLY HA+ 3.50 (# 2093:20 Unique 1.97, 2.89 A)
&rst
ixpk= 2093, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 746,
&end
#
# 47 LYS HN 46 GLY HA+ 3.00 (# 2094:20 Unique 2.15, 2.59 A)
&rst
ixpk= 2094, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 745, 746,
&end
#
# 0 AMB 20-2:2096 0 AMB 20-1:2096 4.50 (# 2096:20 Double 0.00, 0.00 )
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1955,1963,1972,
igr2=1950,1951,1950,1951,
&end
#
# 122 ARG HN 123 GLY HA+ 5.50 (# 2097:20 Unique 4.85, 5.15 A)
&rst
ixpk= 2097, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1950,1951,
&end
#
# 123 GLY HN 123 GLY HA+ 3.00 (# 2098:20 Unique 2.29, 2.62 A)
&rst
ixpk= 2098, nxpk= 20, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1950,1951,
&end
#
# 123 GLY HN 123 GLY HA- 3.00 (# 2099:20 Unique 2.29, 2.62 A)
&rst
ixpk= 2099, nxpk= 20, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1950,1951,
&end
#
# 0 AMB 20-2:2100 123 GLY HA- 4.50 (# 2100:20 Single 0.00, 0.00 )
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1955,1963,1972,
igr2=1950,1951,
&end
#
# 68 MET HN 67 GLY HA+ 3.40 (# 2104:20 Unique 2.17, 2.93 A)
&rst
ixpk= 2104, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1111,1112,
&end
#
# 67 GLY HN 67 GLY HA+ 3.00 (# 2105:20 Unique 2.49, 2.76 A)
&rst
ixpk= 2105, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1111,1112,
&end
#
# 68 MET HN 67 GLY HA- 3.00 (# 2108:20 Unique 2.17, 2.93 A)
&rst
ixpk= 2108, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1111,1112,
&end
#
# 67 GLY HN 67 GLY HA- 3.00 (# 2109:20 Unique 2.49, 2.76 A)
&rst
ixpk= 2109, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1111,1112,
&end
#
# 0 AMB 20-2:2113 0 AMB 20-1:2113 3.50 (# 2113:20 Double 0.00, 0.00 )
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 151, 207,
igr2= 148, 149, 204, 205,
&end
#
# 6 ARG HN 6 ARG HD- 4.50 (# 2115:20 Unique 1.84, 3.39 A)
&rst
ixpk= 2115, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 83, 84,
&end
#
# 66 LEU HN 66 LEU HB+ 3.50 (# 2117:20 Unique 2.22, 2.96 A)
&rst
ixpk= 2117, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 67 GLY HN 66 LEU HB+ 4.50 (# 2118:20 Unique 3.17, 3.71 A)
&rst
ixpk= 2118, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1094,1095,
&end
#
# 78 MET HN 77 ASP HB+ 4.00 (# 2120:20 Unique 2.49, 3.43 A)
&rst
ixpk= 2120, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1252,1253,
&end
#
# 79 TYR HD 77 ASP HB+ 4.00 (# 2121:20 Unique 2.41, 5.59 A)
&rst
ixpk= 2121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1285,1294,
igr2=1252,1253,
&end
#
# 77 ASP HN 77 ASP HB+ 4.00 (# 2122:20 Unique 2.45, 3.36 A)
&rst
ixpk= 2122, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1252,1253,
&end
#
# 124 TYR HE 77 ASP HB- 5.50 (# 2123:20 Unique 1.97, 4.73 A)
&rst
ixpk= 2123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1965,1970,
igr2=1252,1253,
&end
#
# 77 ASP HN 77 ASP HB- 4.00 (# 2124:20 Unique 2.45, 3.36 A)
&rst
ixpk= 2124, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1252,1253,
&end
#
# 79 TYR HD 77 ASP HB- 4.00 (# 2125:20 Unique 2.41, 5.59 A)
&rst
ixpk= 2125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1285,1294,
igr2=1252,1253,
&end
#
# 0 AMB 20-2:2126 0 AMB 20-1:2126 4.00 (# 2126:20 Double 0.00, 0.00 )
&rst
ixpk= 2126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1260, 97,
igr2=1252,1253, 101, 102,
&end
#
# 24 ASP HA 24 ASP HB+ 3.00 (# 2127:20 Unique 2.36, 2.83 A)
&rst
ixpk= 2127, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 376, 377,
&end
#
# 25 LYS HN 24 ASP HB+ 3.80 (# 2128:20 Unique 2.11, 3.36 A)
&rst
ixpk= 2128, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 376, 377,
&end
#
# 24 ASP HN 24 ASP HB+ 3.00 (# 2129:20 Unique 2.13, 2.79 A)
&rst
ixpk= 2129, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 376, 377,
&end
#
# 25 LYS HN 24 ASP HB- 4.00 (# 2130:20 Unique 2.11, 3.36 A)
&rst
ixpk= 2130, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 376, 377,
&end
#
# 27 GLU HN 24 ASP HB- 3.50 (# 2131:20 Unique 2.13, 2.84 A)
&rst
ixpk= 2131, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 24 ASP HA 24 ASP HB- 3.00 (# 2132:20 Unique 2.36, 2.83 A)
&rst
ixpk= 2132, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 376, 377,
&end
#
# 7 ASP HA 7 ASP HB- 4.00 (# 2133:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2133, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 101, 102,
&end
#
# 7 ASP HA 7 ASP HB+ 5.50 (# 2134:20 Unique 2.36, 2.77 A)
&rst
ixpk= 2134, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 101, 102,
&end
#
# 24 ASP HN 24 ASP HB- 3.80 (# 2135:20 Unique 2.13, 2.79 A)
&rst
ixpk= 2135, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 376, 377,
&end
#
# 96 LYS HN 96 LYS HE+ 3.50 (# 2138:20 Unique 1.77, 3.04 A)
&rst
ixpk= 2138, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1532,1533,
&end
#
# 38 ASP HN 38 ASP HB+ 2.80 (# 2140:20 Unique 2.20, 2.54 A)
&rst
ixpk= 2140, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 616, 617,
&end
#
# 37 ASP HN 37 ASP HB+ 3.00 (# 2141:20 Unique 2.07, 2.67 A)
&rst
ixpk= 2141, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 0 AMB 20-2:2142 0 AMB 20-1:2142 6.00 (# 2142:20 Double 0.00, 0.00 )
&rst
ixpk= 2142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 638,1133,
igr2= 616, 617, 604, 605, 604, 605,
&end
#
# 38 ASP HN 0 AMB 20-1:2143 2.80 (# 2143:20 Single 0.00, 0.00 )
&rst
ixpk= 2143, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 616, 617, 604, 605,
&end
#
# 37 ASP HN 37 ASP HB- 3.00 (# 2145:20 Unique 2.07, 2.67 A)
&rst
ixpk= 2145, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 38 ASP HN 37 ASP HB- 4.00 (# 2146:20 Unique 2.46, 3.32 A)
&rst
ixpk= 2146, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 604, 605,
&end
#
# 26 GLU HN 25 LYS HE+ 4.00 (# 2147:20 Unique 2.04, 3.48 A)
&rst
ixpk= 2147, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 397, 398,
&end
#
# 76 LYS HN 76 LYS HE+ 5.00 (# 2149:20 Unique 3.78, 4.92 A)
&rst
ixpk= 2149, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1239,1240,
&end
#
# 48 TRP HZ3 96 LYS HE- 6.00 (# 2150:20 Unique 2.01, 2.93 A)
&rst
ixpk= 2150, nxpk= 20, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1532,1533,
&end
#
# 96 LYS HN 96 LYS HE- 4.50 (# 2151:20 Unique 1.77, 3.04 A)
&rst
ixpk= 2151, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1532,1533,
&end
#
# 120 LEU HN 120 LEU HB+ 3.00 (# 2155:20 Unique 2.11, 2.67 A)
&rst
ixpk= 2155, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1899,1900,
&end
#
# 121 ALA HN 120 LEU HB+ 4.00 (# 2156:20 Unique 2.49, 3.35 A)
&rst
ixpk= 2156, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1899,1900,
&end
#
# 120 LEU HN 120 LEU HB- 4.00 (# 2157:20 Unique 2.11, 2.67 A)
&rst
ixpk= 2157, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1899,1900,
&end
#
# 48 TRP HE1 99 ASP HB- 3.50 (# 2160:20 Unique 2.11, 2.82 A)
&rst
ixpk= 2160, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1575,1576,
&end
#
# 0 AMB 20-2:2161 0 AMB 20-1:2161 3.00 (# 2161:20 Double 0.00, 0.00 )
&rst
ixpk= 2161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1355,1386,
igr2=1359,1360,1359,1360,
&end
#
# 0 AMB 20-2:2162 0 AMB 20-1:2162 4.80 (# 2162:20 Double 0.00, 0.00 )
&rst
ixpk= 2162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1367,1434,
igr2=1359,1360,1359,1360,
&end
#
# 107 ASP HN 106 ASP HB+ 3.30 (# 2163:20 Unique 2.08, 2.89 A)
&rst
ixpk= 2163, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1678,1679,
&end
#
# 47 LYS HN 47 LYS HE+ 6.00 (# 2164:20 Unique 4.60, 5.20 A)
&rst
ixpk= 2164, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 763, 764,
&end
#
# 47 LYS HA 47 LYS HE+ 5.00 (# 2165:20 Unique 2.10, 4.22 A)
&rst
ixpk= 2165, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 763, 764,
&end
#
# 107 ASP HN 106 ASP HB- 4.00 (# 2166:20 Unique 2.08, 2.89 A)
&rst
ixpk= 2166, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1678,1679,
&end
#
# 48 TRP HZ2+ 50 LYS HE+ 4.00 (# 2167:20 Unique 3.72, 4.90 A)
&rst
ixpk= 2167, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 831, 832,
&end
#
# 75 LEU HN 75 LEU HB- 4.00 (# 2168:20 Unique 2.48, 3.32 A)
&rst
ixpk= 2168, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1211,1212,
&end
#
# 75 LEU HN 75 LEU HB+ 4.00 (# 2169:20 Unique 2.48, 3.32 A)
&rst
ixpk= 2169, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1211,1212,
&end
#
# 97 LEU HN 97 LEU HB- 6.00 (# 2170:20 Unique 2.20, 2.98 A)
&rst
ixpk= 2170, nxpk= 20, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1545,1546,
&end
#
# 121 ALA HN 120 LEU HB- 4.00 (# 2171:20 Unique 2.49, 3.35 A)
&rst
ixpk= 2171, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1899,1900,
&end
#
# 120 LEU HN 120 LEU HB- 3.50 (# 2172:20 Unique 2.11, 2.67 A)
&rst
ixpk= 2172, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1899,1900,
&end
#
# 48 TRP HE1 99 ASP HB+ 3.50 (# 2175:20 Unique 2.11, 2.82 A)
&rst
ixpk= 2175, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1575,1576,
&end
#
# 99 ASP HN 99 ASP HB+ 3.00 (# 2176:20 Unique 3.00, 3.29 A)
&rst
ixpk= 2176, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1575,1576,
&end
#
# 99 ASP HA 99 ASP HB+ 3.00 (# 2177:20 Unique 2.62, 2.82 A)
&rst
ixpk= 2177, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1575,1576,
&end
#
# 48 TRP HD- 99 ASP HB+ 4.00 (# 2178:20 Unique 2.62, 3.69 A)
&rst
ixpk= 2178, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1575,1576,
&end
#
# 48 TRP HD+ 99 ASP HB+ 4.00 (# 2179:20 Unique 2.62, 3.69 A)
&rst
ixpk= 2179, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1575,1576,
&end
#
# 44 PHE HN 44 PHE HB+ 4.00 (# 2180:20 Unique 3.06, 3.63 A)
&rst
ixpk= 2180, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 710, 711,
&end
#
# 44 PHE HD+ 44 PHE HB+ 3.50 (# 2181:20 Unique 2.35, 3.03 A)
&rst
ixpk= 2181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 714, 722,
igr2= 710, 711,
&end
#
# 44 PHE HA 44 PHE HB- 3.00 (# 2182:20 Unique 2.26, 2.47 A)
&rst
ixpk= 2182, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 710, 711,
&end
#
# 99 ASP HN 99 ASP HB- 4.00 (# 2183:20 Unique 3.00, 3.29 A)
&rst
ixpk= 2183, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1575,1576,
&end
#
# 99 ASP HA 99 ASP HB- 3.00 (# 2184:20 Unique 2.62, 2.82 A)
&rst
ixpk= 2184, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1575,1576,
&end
#
# 48 TRP HD- 99 ASP HB- 4.00 (# 2185:20 Unique 2.62, 3.69 A)
&rst
ixpk= 2185, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1575,1576,
&end
#
# 0 AMB 20-2:2186 0 AMB 20-1:2186 6.00 (# 2186:20 Double 0.00, 0.00 )
&rst
ixpk= 2186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1355,1029,1345,1059,
igr2=1020,1021,1020,1021,1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:2187 0 AMB 20-1:2187 5.00 (# 2187:20 Double 0.00, 0.00 )
&rst
ixpk= 2187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1482,1491, 789,
igr2=1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:2188 0 AMB 20-1:2188 5.00 (# 2188:20 Double 0.00, 0.00 )
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1386,1355,1029,
igr2=1426,1427,1020,1021,1426,1427,
&end
#
# 0 AMB 20-2:2189 61 LYS HE- 5.00 (# 2189:20 Single 0.00, 0.00 )
&rst
ixpk= 2189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1482,1491, 789,
igr2=1020,1021,
&end
#
# 79 TYR HN 79 TYR HB+ 4.00 (# 2190:20 Unique 2.66, 3.38 A)
&rst
ixpk= 2190, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1281,1282,
&end
#
# 80 VAL HN 79 TYR HB+ 4.00 (# 2191:20 Unique 1.86, 3.07 A)
&rst
ixpk= 2191, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1281,1282,
&end
#
# 79 TYR HD 79 TYR HB+ 3.50 (# 2192:20 Unique 2.31, 3.05 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1285,1294,
igr2=1281,1282,
&end
#
# 0 AMB 20-2:2193 0 AMB 20-1:2193 5.00 (# 2193:20 Double 0.00, 0.00 )
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1497,1347,
igr2=1281,1282,1359,1360,1450,1451,
&end
#
# 0 AMB 20-2:2194 84 ASP HB- 3.80 (# 2194:20 Single 0.00, 0.00 )
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1355,1386,
igr2=1359,1360,
&end
#
# 93 TYR HD- 0 AMB 20-1:2197 3.50 (# 2197:20 Single 0.00, 0.00 )
&rst
ixpk= 2197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1482,1491,
igr2=1478,1479,1450,1451,
&end
#
# 45 MET HN 44 PHE HB+ 4.00 (# 2201:20 Unique 3.01, 3.77 A)
&rst
ixpk= 2201, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 710, 711,
&end
#
# 44 PHE HD- 44 PHE HB+ 3.50 (# 2202:20 Unique 2.35, 3.03 A)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 714, 722,
igr2= 710, 711,
&end
#
# 44 PHE HA 44 PHE HB+ 3.00 (# 2203:20 Unique 2.26, 2.47 A)
&rst
ixpk= 2203, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 710, 711,
&end
#
# 45 MET HN 44 PHE HB- 4.50 (# 2204:20 Unique 3.01, 3.77 A)
&rst
ixpk= 2204, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:2205 44 PHE HB- 3.50 (# 2205:20 Single 0.00, 0.00 )
&rst
ixpk= 2205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 714, 722, 680, 688,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:2206 0 AMB 20-1:2206 3.00 (# 2206:20 Double 0.00, 0.00 )
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 789,1482,1491,
igr2=1478,1479,1478,1479,
&end
#
# 93 TYR HA 93 TYR HB+ 3.00 (# 2207:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2207, nxpk= 20, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1478,1479,
&end
#
# 94 THR HN 93 TYR HB+ 3.80 (# 2208:20 Unique 2.40, 2.84 A)
&rst
ixpk= 2208, nxpk= 20, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1478,1479,
&end
#
# 91 ASP HN 89 ASP HB+ 5.50 (# 2210:20 Unique 4.37, 4.96 A)
&rst
ixpk= 2210, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1426,1427,
&end
#
# 90 ASP HN 89 ASP HB+ 3.00 (# 2211:20 Unique 2.10, 3.11 A)
&rst
ixpk= 2211, nxpk= 20, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1426,1427,
&end
#
# 80 VAL HN 79 TYR HB+ 4.00 (# 2212:20 Unique 1.86, 3.07 A)
&rst
ixpk= 2212, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1281,1282,
&end
#
# 0 AMB 20-2:2214 89 ASP HB- 3.50 (# 2214:20 Single 0.00, 0.00 )
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1434,1422,
igr2=1426,1427,
&end
#
# 91 ASP HN 91 ASP HB+ 3.00 (# 2215:20 Unique 2.20, 2.94 A)
&rst
ixpk= 2215, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1450,1451,
&end
#
# 92 VAL HN 91 ASP HB+ 3.60 (# 2216:20 Unique 2.82, 3.61 A)
&rst
ixpk= 2216, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1450,1451,
&end
#
# 94 THR HN 93 TYR HB- 3.50 (# 2217:20 Unique 2.40, 2.84 A)
&rst
ixpk= 2217, nxpk= 20, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1478,1479,
&end
#
# 91 ASP HN 91 ASP HB- 4.00 (# 2218:20 Unique 2.20, 2.94 A)
&rst
ixpk= 2218, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1450,1451,
&end
#
# 0 AMB 20-2:2219 93 TYR HB- 3.50 (# 2219:20 Single 0.00, 0.00 )
&rst
ixpk= 2219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 789,1482,1491,
igr2=1478,1479,
&end
#
# 93 TYR HA 93 TYR HB- 3.00 (# 2221:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2221, nxpk= 20, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1478,1479,
&end
#
# 93 TYR HN 93 TYR HB- 4.00 (# 2222:20 Unique 2.82, 3.38 A)
&rst
ixpk= 2222, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1478,1479,
&end
#
# 93 TYR HN 93 TYR HB+ 4.00 (# 2228:20 Unique 2.82, 3.38 A)
&rst
ixpk= 2228, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1478,1479,
&end
#
# 93 TYR HD- 93 TYR HB+ 4.50 (# 2229:20 Unique 2.31, 3.06 A)
&rst
ixpk= 2229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1482,1491,
igr2=1478,1479,
&end
#
# 107 ASP HN 107 ASP HB- 3.00 (# 2235:20 Unique 2.09, 2.94 A)
&rst
ixpk= 2235, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1690,1691,
&end
#
# 118 TYR HN 117 LEU HB- 3.80 (# 2236:20 Unique 2.60, 3.19 A)
&rst
ixpk= 2236, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1835,1836,
&end
#
# 117 LEU HN 117 LEU HB- 3.80 (# 2237:20 Unique 2.24, 3.01 A)
&rst
ixpk= 2237, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1835,1836,
&end
#
# 117 LEU HN 117 LEU HB+ 3.50 (# 2238:20 Unique 2.24, 3.01 A)
&rst
ixpk= 2238, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1835,1836,
&end
#
# 118 TYR HN 117 LEU HB+ 3.80 (# 2239:20 Unique 2.60, 3.19 A)
&rst
ixpk= 2239, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1835,1836,
&end
#
# 36 LEU HN 36 LEU HB+ 4.00 (# 2240:20 Unique 2.07, 2.54 A)
&rst
ixpk= 2240, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 585, 586,
&end
#
# 107 ASP HN 107 ASP HB+ 3.00 (# 2242:20 Unique 2.09, 2.94 A)
&rst
ixpk= 2242, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1690,1691,
&end
#
# 91 ASP HN 90 ASP HB+ 3.50 (# 2244:20 Unique 3.12, 3.68 A)
&rst
ixpk= 2244, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1438,1439,
&end
#
# 36 LEU HN 36 LEU HB+ 3.00 (# 2245:20 Unique 2.07, 2.54 A)
&rst
ixpk= 2245, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 585, 586,
&end
#
# 22 ALA HN 21 ASP HB- 4.60 (# 2246:20 Unique 2.21, 3.32 A)
&rst
ixpk= 2246, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 339, 340,
&end
#
# 45 MET HN 103 ILE HB 5.50 (# 2248:20 Unique 4.92, 5.07 A)
&rst
ixpk= 2248, nxpk= 20, iat= 726,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HN 21 ASP HB+ 3.00 (# 2249:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2249, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 22 ALA HN 21 ASP HB+ 4.60 (# 2250:20 Unique 2.21, 3.32 A)
&rst
ixpk= 2250, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 339, 340,
&end
#
# 47 LYS HN 103 ILE HB 4.40 (# 2251:20 Unique 4.04, 4.22 A)
&rst
ixpk= 2251, nxpk= 20, iat= 750,1631, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 103 ILE HN 103 ILE HB 3.00 (# 2252:20 Unique 2.21, 2.37 A)
&rst
ixpk= 2252, nxpk= 20, iat=1627,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 GLY HA- 103 ILE HB 4.80 (# 2253:20 Unique 2.38, 3.85 A)
&rst
ixpk= 2253, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 745, 746,
&end
#
# 115 ASP HN 115 ASP HB+ 3.50 (# 2254:20 Unique 2.08, 2.82 A)
&rst
ixpk= 2254, nxpk= 20, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 116 TRP HN 115 ASP HB+ 3.50 (# 2255:20 Unique 2.52, 2.98 A)
&rst
ixpk= 2255, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 116 TRP HN 115 ASP HB- 3.50 (# 2256:20 Unique 2.52, 2.98 A)
&rst
ixpk= 2256, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 115 ASP HN 115 ASP HB- 3.50 (# 2257:20 Unique 2.08, 2.82 A)
&rst
ixpk= 2257, nxpk= 20, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 108 ASP HN 108 ASP HB+ 3.00 (# 2258:20 Unique 2.07, 2.76 A)
&rst
ixpk= 2258, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1702,1703,
&end
#
# 108 ASP HN 108 ASP HB- 3.60 (# 2259:20 Unique 2.07, 2.76 A)
&rst
ixpk= 2259, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1702,1703,
&end
#
# 109 THR HN 108 ASP HB- 3.50 (# 2260:20 Unique 2.52, 2.89 A)
&rst
ixpk= 2260, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1702,1703,
&end
#
# 40 LEU HN 40 LEU HB+ 3.50 (# 2262:20 Unique 2.10, 2.83 A)
&rst
ixpk= 2262, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 41 GLU HN 40 LEU HB+ 4.20 (# 2263:20 Unique 2.56, 3.49 A)
&rst
ixpk= 2263, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 642, 643,
&end
#
# 40 LEU HN 40 LEU HB- 3.50 (# 2264:20 Unique 2.10, 2.83 A)
&rst
ixpk= 2264, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 44 PHE HE+ 40 LEU HB- 6.60 (# 2265:20 Unique 2.48, 5.45 A)
&rst
ixpk= 2265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 716, 720,
igr2= 642, 643,
&end
#
# 118 TYR HE 115 ASP HB+ 5.00 (# 2266:20 Unique 3.91, 6.58 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1860,1865,
igr2=1799,1800,
&end
#
# 42 PHE HD+ 42 PHE HB- 3.50 (# 2267:20 Unique 2.33, 3.04 A)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 680, 688,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:2268 42 PHE HB- 3.00 (# 2268:20 Single 0.00, 0.00 )
&rst
ixpk= 2268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 680, 688, 714, 722,
igr2= 676, 677,
&end
#
# 33 TYR HN 33 TYR HB+ 3.00 (# 2269:20 Unique 2.29, 2.54 A)
&rst
ixpk= 2269, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 522, 523,
&end
#
# 34 TYR HN 33 TYR HB+ 4.40 (# 2270:20 Unique 2.27, 3.09 A)
&rst
ixpk= 2270, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 522, 523,
&end
#
# 72 ASP HN 72 ASP HB+ 3.30 (# 2271:20 Unique 2.56, 3.20 A)
&rst
ixpk= 2271, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1173,1174,
&end
#
# 42 PHE HD+ 42 PHE HB+ 3.50 (# 2272:20 Unique 2.33, 3.04 A)
&rst
ixpk= 2272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 680, 688,
igr2= 676, 677,
&end
#
# 42 PHE HN 42 PHE HB+ 3.80 (# 2273:20 Unique 2.15, 2.86 A)
&rst
ixpk= 2273, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 676, 677,
&end
#
# 0 AMB 20-2:2274 0 AMB 20-1:2274 3.50 (# 2274:20 Double 0.00, 0.00 )
&rst
ixpk= 2274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 680, 688, 714, 722,
igr2= 676, 677, 676, 677,
&end
#
# 72 ASP HN 72 ASP HB- 3.60 (# 2275:20 Unique 2.56, 3.20 A)
&rst
ixpk= 2275, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1173,1174,
&end
#
# 35 TYR HN 35 TYR HB+ 3.50 (# 2276:20 Unique 2.12, 3.00 A)
&rst
ixpk= 2276, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 564, 565,
&end
#
# 35 TYR HD+ 35 TYR HB+ 3.50 (# 2277:20 Unique 2.31, 3.05 A)
&rst
ixpk= 2277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 568, 577,
igr2= 564, 565,
&end
#
# 34 TYR HN 33 TYR HB- 3.50 (# 2278:20 Unique 2.27, 3.09 A)
&rst
ixpk= 2278, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 522, 523,
&end
#
# 42 PHE HN 42 PHE HB- 3.50 (# 2279:20 Unique 2.15, 2.86 A)
&rst
ixpk= 2279, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 676, 677,
&end
#
# 43 PRO HA 42 PHE HB- 4.00 (# 2281:20 Unique 2.60, 3.40 A)
&rst
ixpk= 2281, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 676, 677,
&end
#
# 104 ASP HN 104 ASP HB+ 3.00 (# 2282:20 Unique 3.03, 3.48 A)
&rst
ixpk= 2282, nxpk= 20, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1650,1651,
&end
#
# 105 VAL HN 104 ASP HB+ 4.80 (# 2283:20 Unique 4.19, 4.40 A)
&rst
ixpk= 2283, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1650,1651,
&end
#
# 104 ASP HN 104 ASP HB- 3.80 (# 2284:20 Unique 3.03, 3.48 A)
&rst
ixpk= 2284, nxpk= 20, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1650,1651,
&end
#
# 105 VAL HN 104 ASP HB- 4.00 (# 2285:20 Unique 4.19, 4.40 A)
&rst
ixpk= 2285, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1650,1651,
&end
#
# 58 ILE HN 58 ILE HB 3.50 (# 2287:20 Unique 2.32, 3.09 A)
&rst
ixpk= 2287, nxpk= 20, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 TYR HD- 118 TYR HB+ 3.60 (# 2288:20 Unique 2.32, 3.07 A)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1858,1867,
igr2=1854,1855,
&end
#
# 100 ILE HA 100 ILE HB 3.50 (# 2289:20 Unique 2.59, 2.73 A)
&rst
ixpk= 2289, nxpk= 20, iat=1585,1587, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ILE HN 100 ILE HB 3.00 (# 2290:20 Unique 2.78, 2.92 A)
&rst
ixpk= 2290, nxpk= 20, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 GLU HN 100 ILE HB 4.00 (# 2291:20 Unique 3.95, 4.03 A)
&rst
ixpk= 2291, nxpk= 20, iat=1602,1587, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 GLU HN 14 ILE HB 4.00 (# 2292:20 Unique 2.95, 3.40 A)
&rst
ixpk= 2292, nxpk= 20, iat= 237, 222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE HN 14 ILE HB 2.80 (# 2293:20 Unique 2.12, 2.21 A)
&rst
ixpk= 2293, nxpk= 20, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 ASP HN 71 ASP HB+ 3.50 (# 2294:20 Unique 2.09, 2.95 A)
&rst
ixpk= 2294, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1161,1162,
&end
#
# 118 TYR HD- 118 TYR HB- 4.00 (# 2295:20 Unique 2.32, 3.07 A)
&rst
ixpk= 2295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1858,1867,
igr2=1854,1855,
&end
#
# 0 AMB 20-2:2296 118 TYR HB- 3.00 (# 2296:20 Single 0.00, 0.00 )
&rst
ixpk= 2296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1871,1850,
igr2=1854,1855,
&end
#
# 0 AMB 20-2:2297 0 AMB 20-1:2297 3.00 (# 2297:20 Double 0.00, 0.00 )
&rst
ixpk= 2297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1871,1850,
igr2=1854,1855,1854,1855,
&end
#
# 114 ALA HN 113 ILE HB 2.80 (# 2299:20 Unique 2.24, 2.29 A)
&rst
ixpk= 2299, nxpk= 20, iat=1785,1770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 ILE HN 113 ILE HB 3.00 (# 2300:20 Unique 2.42, 2.52 A)
&rst
ixpk= 2300, nxpk= 20, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 126 PHE HN 126 PHE HB+ 4.00 (# 2303:20 Unique 2.66, 3.35 A)
&rst
ixpk= 2303, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 126 PHE HD- 126 PHE HB+ 3.50 (# 2304:20 Unique 2.29, 3.04 A)
&rst
ixpk= 2304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2006,2014,
igr2=2002,2003,
&end
#
# 85 ILE HN 85 ILE HB 4.00 (# 2305:20 Unique 3.60, 3.63 A)
&rst
ixpk= 2305, nxpk= 20, iat=1367,1371, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 63 VAL HA 85 ILE HB 5.00 (# 2306:20 Unique 4.72, 4.84 A)
&rst
ixpk= 2306, nxpk= 20, iat=1045,1371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE HN 18 ILE HB 3.00 (# 2307:20 Unique 1.91, 2.40 A)
&rst
ixpk= 2307, nxpk= 20, iat= 300, 285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 18 ILE HN 18 ILE HB 3.00 (# 2308:20 Unique 2.36, 2.46 A)
&rst
ixpk= 2308, nxpk= 20, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 126 PHE HN 126 PHE HB- 4.00 (# 2310:20 Unique 2.66, 3.35 A)
&rst
ixpk= 2310, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 34 TYR HN 34 TYR HB+ 3.00 (# 2311:20 Unique 2.24, 2.93 A)
&rst
ixpk= 2311, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 543, 544,
&end
#
# 35 TYR HN 34 TYR HB+ 3.20 (# 2312:20 Unique 2.40, 2.75 A)
&rst
ixpk= 2312, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 543, 544,
&end
#
# 34 TYR HD- 34 TYR HB+ 3.50 (# 2313:20 Unique 2.30, 3.06 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 547, 556,
igr2= 543, 544,
&end
#
# 34 TYR HD+ 34 TYR HB+ 3.50 (# 2314:20 Unique 2.30, 3.06 A)
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 547, 556,
igr2= 543, 544,
&end
#
# 126 PHE HD+ 126 PHE HB+ 3.50 (# 2315:20 Unique 2.29, 3.04 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2006,2014,
igr2=2002,2003,
&end
#
# 35 TYR HN 34 TYR HB- 3.50 (# 2316:20 Unique 2.40, 2.75 A)
&rst
ixpk= 2316, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 543, 544,
&end
#
# 34 TYR HD+ 34 TYR HB- 3.50 (# 2317:20 Unique 2.30, 3.06 A)
&rst
ixpk= 2317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 547, 556,
igr2= 543, 544,
&end
#
# 34 TYR HD- 34 TYR HB- 3.50 (# 2318:20 Unique 2.30, 3.06 A)
&rst
ixpk= 2318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 547, 556,
igr2= 543, 544,
&end
#
# 34 TYR HN 34 TYR HB- 3.00 (# 2319:20 Unique 2.24, 2.93 A)
&rst
ixpk= 2319, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 543, 544,
&end
#
# 26 GLU HN 26 GLU HG+ 3.00 (# 2320:20 Unique 2.47, 3.13 A)
&rst
ixpk= 2320, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 413, 414,
&end
#
# 23 GLU HN 27 GLU HG- 5.10 (# 2322:20 Unique 3.44, 4.07 A)
&rst
ixpk= 2322, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 428, 429,
&end
#
# 19 ILE HN 19 ILE HB 4.00 (# 2323:20 Unique 3.29, 3.52 A)
&rst
ixpk= 2323, nxpk= 20, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 VAL HN 19 ILE HB 7.50 (# 2324:20 Unique 2.75, 3.42 A)
&rst
ixpk= 2324, nxpk= 20, iat= 319, 304, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00, &end
#
# 60 GLU HN 60 GLU HG+ 3.00 (# 2326:20 Unique 2.16, 3.16 A)
&rst
ixpk= 2326, nxpk= 20, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 999,1000,
&end
#
# 60 GLU HA 60 GLU HG+ 3.00 (# 2327:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2327, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 999,1000,
&end
#
# 64 GLU HN 64 GLU HG- 4.40 (# 2329:20 Unique 4.41, 4.52 A)
&rst
ixpk= 2329, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:2330 27 GLU HG- 4.00 (# 2330:20 Single 0.00, 0.00 )
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 406, 436,
igr2= 428, 429,
&end
#
# 24 ASP HN 27 GLU HG- 4.00 (# 2331:20 Unique 3.23, 3.41 A)
&rst
ixpk= 2331, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 428, 429,
&end
#
# 27 GLU HN 27 GLU HG- 3.00 (# 2332:20 Unique 1.90, 2.72 A)
&rst
ixpk= 2332, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 428, 429,
&end
#
# 27 GLU HN 27 GLU HG+ 3.00 (# 2333:20 Unique 1.90, 2.72 A)
&rst
ixpk= 2333, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 428, 429,
&end
#
# 65 VAL HN 64 GLU HG+ 4.00 (# 2334:20 Unique 2.49, 3.50 A)
&rst
ixpk= 2334, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:2335 0 AMB 20-1:2335 4.40 (# 2335:20 Double 0.00, 0.00 )
&rst
ixpk= 2335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1007, 796,1090,
igr2= 999,1000,1066,1067,
&end
#
# 60 GLU HN 60 GLU HG- 3.00 (# 2336:20 Unique 2.16, 3.16 A)
&rst
ixpk= 2336, nxpk= 20, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 999,1000,
&end
#
# 60 GLU HA 60 GLU HG- 3.60 (# 2337:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2337, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 999,1000,
&end
#
# 65 VAL HN 64 GLU HG- 3.00 (# 2339:20 Unique 2.49, 3.50 A)
&rst
ixpk= 2339, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:2340 0 AMB 20-1:2340 6.00 (# 2340:20 Double 0.00, 0.00 )
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1474,1509,
igr2=1321,1322,1321,1322,
&end
#
# 24 ASP HN 23 GLU HG+ 4.80 (# 2342:20 Unique 4.44, 4.79 A)
&rst
ixpk= 2342, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 364, 365,
&end
#
# 63 VAL HN 63 VAL HB 4.50 (# 2343:20 Unique 3.41, 3.81 A)
&rst
ixpk= 2343, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLU HN 81 GLU HG+ 3.00 (# 2345:20 Unique 2.79, 3.47 A)
&rst
ixpk= 2345, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1321,1322,
&end
#
# 81 GLU HA 81 GLU HG+ 3.00 (# 2346:20 Unique 2.20, 2.64 A)
&rst
ixpk= 2346, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1321,1322,
&end
#
# 0 AMB 20-2:2347 81 GLU HG- 6.00 (# 2347:20 Single 0.00, 0.00 )
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1474,1509,
igr2=1321,1322,
&end
#
# 81 GLU HA 81 GLU HG- 3.50 (# 2348:20 Unique 2.20, 2.64 A)
&rst
ixpk= 2348, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1321,1322,
&end
#
# 82 VAL HN 81 GLU HG- 5.40 (# 2349:20 Unique 4.03, 4.63 A)
&rst
ixpk= 2349, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1321,1322,
&end
#
# 81 GLU HN 81 GLU HG- 3.00 (# 2350:20 Unique 2.79, 3.47 A)
&rst
ixpk= 2350, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1321,1322,
&end
#
# 16 THR HN 15 GLU HG+ 4.00 (# 2351:20 Unique 2.48, 3.14 A)
&rst
ixpk= 2351, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 244, 245,
&end
#
# 15 GLU HN 15 GLU HG+ 4.00 (# 2352:20 Unique 3.81, 4.17 A)
&rst
ixpk= 2352, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 244, 245,
&end
#
# 6 ARG HN 5 GLU HG- 5.00 (# 2353:20 Unique 2.45, 3.26 A)
&rst
ixpk= 2353, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 65, 66,
&end
#
# 5 GLU HN 5 GLU HG- 4.00 (# 2354:20 Unique 2.14, 3.23 A)
&rst
ixpk= 2354, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 65, 66,
&end
#
# 6 ARG HN 5 GLU HG+ 5.30 (# 2355:20 Unique 2.45, 3.26 A)
&rst
ixpk= 2355, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 65, 66,
&end
#
# 5 GLU HN 5 GLU HG+ 4.00 (# 2356:20 Unique 2.14, 3.23 A)
&rst
ixpk= 2356, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 65, 66,
&end
#
# 111 GLU HN 111 GLU HG+ 3.00 (# 2357:20 Unique 2.11, 2.90 A)
&rst
ixpk= 2357, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1748,1749,
&end
#
# 16 THR HN 15 GLU HG- 3.60 (# 2358:20 Unique 2.48, 3.14 A)
&rst
ixpk= 2358, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 244, 245,
&end
#
# 23 GLU HN 23 GLU HG- 3.60 (# 2359:20 Unique 2.87, 3.36 A)
&rst
ixpk= 2359, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 364, 365,
&end
#
# 0 AMB 20-2:2360 0 AMB 20-1:2360 4.40 (# 2360:20 Double 0.00, 0.00 )
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1181, 252,
igr2=1188,1189, 273, 274,
&end
#
# 64 GLU HN 63 VAL HB 2.80 (# 2361:20 Unique 2.05, 2.30 A)
&rst
ixpk= 2361, nxpk= 20, iat=1059,1047, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 ILE HN 63 VAL HB 5.00 (# 2362:20 Unique 3.88, 4.26 A)
&rst
ixpk= 2362, nxpk= 20, iat=1367,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 VAL HA 63 VAL HB 5.00 (# 2363:20 Unique 3.79, 4.18 A)
&rst
ixpk= 2363, nxpk= 20, iat=1331,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 VAL HA 63 VAL HB 3.00 (# 2364:20 Unique 2.35, 2.51 A)
&rst
ixpk= 2364, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ILE HN 15 GLU HG+ 7.00 (# 2366:20 Unique 6.46, 6.93 A)
&rst
ixpk= 2366, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 244, 245,
&end
#
# 102 ALA HN 101 GLU HG+ 3.00 (# 2367:20 Unique 1.90, 3.62 A)
&rst
ixpk= 2367, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1609,1610,
&end
#
# 112 ALA HN 111 GLU HG+ 5.00 (# 2368:20 Unique 4.40, 4.63 A)
&rst
ixpk= 2368, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1748,1749,
&end
#
# 112 ALA HN 111 GLU HG+ 5.00 (# 2369:20 Unique 4.40, 4.63 A)
&rst
ixpk= 2369, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1748,1749,
&end
#
# 17 GLU HN 17 GLU HG- 4.50 (# 2370:20 Unique 2.90, 3.52 A)
&rst
ixpk= 2370, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 273, 274,
&end
#
# 18 ILE HN 17 GLU HG- 4.60 (# 2371:20 Unique 4.17, 4.54 A)
&rst
ixpk= 2371, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:2372 0 AMB 20-1:2372 3.30 (# 2372:20 Double 0.00, 0.00 )
&rst
ixpk= 2372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 977, 862,
igr2= 984, 985, 984, 985,
&end
#
# 17 GLU HN 17 GLU HG+ 4.00 (# 2373:20 Unique 2.90, 3.52 A)
&rst
ixpk= 2373, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 273, 274,
&end
#
# 18 ILE HN 17 GLU HG+ 5.00 (# 2374:20 Unique 4.17, 4.54 A)
&rst
ixpk= 2374, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:2376 59 GLU HG- 3.60 (# 2376:20 Single 0.00, 0.00 )
&rst
ixpk= 2376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 977, 862,
igr2= 984, 985,
&end
#
# 42 PHE HN 41 GLU HG+ 4.50 (# 2377:20 Unique 3.13, 3.84 A)
&rst
ixpk= 2377, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 664, 665,
&end
#
# 41 GLU HN 41 GLU HG+ 3.90 (# 2378:20 Unique 2.05, 3.03 A)
&rst
ixpk= 2378, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 664, 665,
&end
#
# 44 PHE HN 43 PRO HB- 4.00 (# 2379:20 Unique 2.81, 3.29 A)
&rst
ixpk= 2379, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 699, 700,
&end
#
# 102 ALA HN 101 GLU HG- 3.00 (# 2380:20 Unique 1.90, 3.62 A)
&rst
ixpk= 2380, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1609,1610,
&end
#
# 126 PHE HN 125 LYS HB+ 4.00 (# 2381:20 Unique 2.73, 4.10 A)
&rst
ixpk= 2381, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1980,1981,
&end
#
# 125 LYS HN 125 LYS HB+ 4.00 (# 2382:20 Unique 2.77, 3.67 A)
&rst
ixpk= 2382, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1980,1981,
&end
#
# 126 PHE HN 125 LYS HB- 4.80 (# 2383:20 Unique 2.73, 4.10 A)
&rst
ixpk= 2383, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1980,1981,
&end
#
# 125 LYS HN 125 LYS HB- 4.00 (# 2384:20 Unique 2.77, 3.67 A)
&rst
ixpk= 2384, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1980,1981,
&end
#
# 48 TRP HN 61 LYS HB- 4.50 (# 2386:20 Unique 3.41, 3.90 A)
&rst
ixpk= 2386, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1011,1012,
&end
#
# 62 THR HN 61 LYS HB- 5.00 (# 2387:20 Unique 4.00, 4.38 A)
&rst
ixpk= 2387, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1011,1012,
&end
#
# 61 LYS HN 61 LYS HB- 3.00 (# 2388:20 Unique 2.33, 2.81 A)
&rst
ixpk= 2388, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1011,1012,
&end
#
# 0 AMB 20-2:2389 61 LYS HB- 5.00 (# 2389:20 Single 0.00, 0.00 )
&rst
ixpk= 2389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 791, 780,
igr2=1011,1012,
&end
#
# 48 TRP HN 61 LYS HB+ 4.50 (# 2391:20 Unique 3.41, 3.90 A)
&rst
ixpk= 2391, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1011,1012,
&end
#
# 62 THR HN 61 LYS HB+ 5.00 (# 2392:20 Unique 4.00, 4.38 A)
&rst
ixpk= 2392, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1011,1012,
&end
#
# 61 LYS HN 61 LYS HB+ 3.00 (# 2393:20 Unique 2.33, 2.81 A)
&rst
ixpk= 2393, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1011,1012,
&end
#
# 60 GLU HA 61 LYS HB+ 5.00 (# 2395:20 Unique 3.98, 4.68 A)
&rst
ixpk= 2395, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1011,1012,
&end
#
# 0 AMB 20-2:2396 0 AMB 20-1:2396 4.40 (# 2396:20 Double 0.00, 0.00 )
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 791, 780,
igr2=1011,1012,1011,1012,
&end
#
# 7 ASP HA 8 GLU HG+ 5.50 (# 2399:20 Unique 3.18, 3.90 A)
&rst
ixpk= 2399, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 116, 117,
&end
#
# 8 GLU HN 8 GLU HG+ 3.00 (# 2400:20 Unique 2.39, 3.26 A)
&rst
ixpk= 2400, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 116, 117,
&end
#
# 9 THR HN 8 GLU HG+ 5.00 (# 2401:20 Unique 4.41, 4.73 A)
&rst
ixpk= 2401, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 116, 117,
&end
#
# 82 VAL HA 82 VAL HB 3.00 (# 2402:20 Unique 2.36, 2.57 A)
&rst
ixpk= 2402, nxpk= 20, iat=1331,1333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 GLU HN 11 GLU HG+ 4.50 (# 2403:20 Unique 1.97, 3.12 A)
&rst
ixpk= 2403, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 169, 170,
&end
#
# 11 GLU HN 11 GLU HG- 4.00 (# 2404:20 Unique 1.97, 3.12 A)
&rst
ixpk= 2404, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 169, 170,
&end
#
# 12 HIS HN 11 GLU HG- 4.50 (# 2405:20 Unique 2.52, 4.10 A)
&rst
ixpk= 2405, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 169, 170,
&end
#
# 67 GLY HN 80 VAL HB 4.40 (# 2406:20 Unique 2.27, 3.08 A)
&rst
ixpk= 2406, nxpk= 20, iat=1109,1302, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 0 AMB 20-2:2407 82 VAL HB 4.00 (# 2407:20 Single 0.00, 0.00 )
&rst
ixpk= 2407, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1345,1059,1329,
&end
#
# 78 MET HA 78 MET HB- 3.50 (# 2408:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2408, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1264,1265,
&end
#
# 76 LYS HA 76 LYS HB+ 3.00 (# 2411:20 Unique 2.27, 2.61 A)
&rst
ixpk= 2411, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1230,1231,
&end
#
# 0 AMB 20-2:2412 0 AMB 20-1:2412 5.50 (# 2412:20 Double 0.00, 0.00 )
&rst
ixpk= 2412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1133,1998,
igr2=1302,1230,1231,
&end
#
# 110 GLN HN 105 VAL HB 5.50 (# 2413:20 Unique 3.29, 3.45 A)
&rst
ixpk= 2413, nxpk= 20, iat=1724,1662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 VAL HN 105 VAL HB 4.50 (# 2415:20 Unique 3.72, 3.79 A)
&rst
ixpk= 2415, nxpk= 20, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 LYS HN 76 LYS HB- 4.00 (# 2416:20 Unique 2.99, 3.61 A)
&rst
ixpk= 2416, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1230,1231,
&end
#
# 76 LYS HA 76 LYS HB- 3.00 (# 2417:20 Unique 2.27, 2.61 A)
&rst
ixpk= 2417, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1230,1231,
&end
#
# 76 LYS HN 76 LYS HB+ 3.80 (# 2418:20 Unique 2.99, 3.61 A)
&rst
ixpk= 2418, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1230,1231,
&end
#
# 0 AMB 20-2:2419 0 AMB 20-1:2419 6.00 (# 2419:20 Double 0.00, 0.00 )
&rst
ixpk= 2419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1207, 680, 688,
igr2=1230,1231,1302,
&end
#
# 106 ASP HN 105 VAL HB 4.00 (# 2420:20 Unique 1.94, 2.15 A)
&rst
ixpk= 2420, nxpk= 20, iat=1674,1662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HN 76 LYS HB- 3.70 (# 2421:20 Unique 2.35, 3.34 A)
&rst
ixpk= 2421, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1230,1231,
&end
#
# 48 TRP HN 47 LYS HB+ 4.80 (# 2422:20 Unique 3.92, 4.33 A)
&rst
ixpk= 2422, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 754, 755,
&end
#
# 47 LYS HN 47 LYS HB+ 3.00 (# 2423:20 Unique 2.14, 2.70 A)
&rst
ixpk= 2423, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 47 LYS HA 47 LYS HB+ 3.00 (# 2424:20 Unique 2.73, 2.85 A)
&rst
ixpk= 2424, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 47 LYS HN 47 LYS HB- 3.00 (# 2425:20 Unique 2.14, 2.70 A)
&rst
ixpk= 2425, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 61 LYS HN 47 LYS HB- 6.00 (# 2426:20 Unique 4.42, 5.39 A)
&rst
ixpk= 2426, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 754, 755,
&end
#
# 47 LYS HA 47 LYS HB- 3.00 (# 2427:20 Unique 2.73, 2.85 A)
&rst
ixpk= 2427, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 48 TRP HN 47 LYS HB- 4.00 (# 2428:20 Unique 3.92, 4.33 A)
&rst
ixpk= 2428, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:2429 4 VAL HB 5.00 (# 2429:20 Single 0.00, 0.00 )
&rst
ixpk= 2429, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 58,1871,1850,
&end
#
# 4 VAL HN 4 VAL HB 5.00 (# 2430:20 Unique 2.71, 2.87 A)
&rst
ixpk= 2430, nxpk= 20, iat= 42, 46, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 ALA HA 92 VAL HB 5.00 (# 2431:20 Unique 2.84, 3.32 A)
&rst
ixpk= 2431, nxpk= 20, iat=1347,1462, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 TYR HN 92 VAL HB 4.00 (# 2432:20 Unique 3.43, 3.71 A)
&rst
ixpk= 2432, nxpk= 20, iat=1474,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2433 92 VAL HB 5.50 (# 2433:20 Single 0.00, 0.00 )
&rst
ixpk= 2433, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1059,
&end
#
# 92 VAL HN 92 VAL HB 4.00 (# 2434:20 Unique 3.20, 3.55 A)
&rst
ixpk= 2434, nxpk= 20, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 GLU HN 110 GLN HG+ 5.00 (# 2438:20 Unique 3.79, 4.48 A)
&rst
ixpk= 2438, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1731,1732,
&end
#
# 110 GLN HN 110 GLN HG+ 5.00 (# 2439:20 Unique 4.00, 4.39 A)
&rst
ixpk= 2439, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1731,1732,
&end
#
# 105 VAL HN 110 GLN HG+ 5.00 (# 2441:20 Unique 5.23, 5.99 A)
&rst
ixpk= 2441, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1731,1732,
&end
#
# 110 GLN HE2- 110 GLN HG+ 3.80 (# 2442:20 Unique 2.28, 3.37 A)
&rst
ixpk= 2442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1736,1737,
igr2=1731,1732,
&end
#
# 110 GLN HE2+ 110 GLN HG+ 3.00 (# 2443:20 Unique 2.28, 3.37 A)
&rst
ixpk= 2443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1736,1737,
igr2=1731,1732,
&end
#
# 60 GLU HN 50 LYS HB+ 5.50 (# 2444:20 Unique 5.08, 5.68 A)
&rst
ixpk= 2444, nxpk= 20, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 822, 823,
&end
#
# 50 LYS HN 50 LYS HB+ 3.00 (# 2445:20 Unique 2.40, 2.61 A)
&rst
ixpk= 2445, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 0 AMB 20-2:2446 0 AMB 20-1:2446 4.60 (# 2446:20 Double 0.00, 0.00 )
&rst
ixpk= 2446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1963,1972,1955,
igr2=1959,1960,1959,1960,
&end
#
# 124 TYR HD+ 124 TYR HB+ 4.50 (# 2447:20 Unique 2.30, 3.06 A)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1963,1972,
igr2=1959,1960,
&end
#
# 50 LYS HN 50 LYS HB- 3.00 (# 2448:20 Unique 2.40, 2.61 A)
&rst
ixpk= 2448, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 48 TRP HE1 50 LYS HB- 6.00 (# 2449:20 Unique 3.88, 5.49 A)
&rst
ixpk= 2449, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 822, 823,
&end
#
# 0 AMB 20-2:2450 124 TYR HB- 4.50 (# 2450:20 Single 0.00, 0.00 )
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1963,1972,1955,
igr2=1959,1960,
&end
#
# 30 MET HN 30 MET HB+ 3.50 (# 2452:20 Unique 2.52, 3.09 A)
&rst
ixpk= 2452, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 474, 475,
&end
#
# 30 MET HN 30 MET HB- 3.80 (# 2453:20 Unique 2.52, 3.09 A)
&rst
ixpk= 2453, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 474, 475,
&end
#
# 45 MET HN 45 MET HB- 3.00 (# 2454:20 Unique 2.15, 2.87 A)
&rst
ixpk= 2454, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 730, 731,
&end
#
# 30 MET HN 30 MET HG+ 3.50 (# 2455:20 Unique 1.92, 2.81 A)
&rst
ixpk= 2455, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 477, 478,
&end
#
# 0 AMB 20-2:2456 0 AMB 20-1:2456 4.00 (# 2456:20 Double 0.00, 0.00 )
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 743,1043,
igr2= 730, 731, 730, 731,
&end
#
# 44 PHE HA 45 MET HB+ 5.50 (# 2457:20 Unique 4.14, 4.83 A)
&rst
ixpk= 2457, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 730, 731,
&end
#
# 125 LYS HN 124 TYR HB+ 4.50 (# 2458:20 Unique 1.60, 3.11 A)
&rst
ixpk= 2458, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1959,1960,
&end
#
# 124 TYR HD+ 124 TYR HB- 4.60 (# 2459:20 Unique 2.30, 3.06 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1963,1972,
igr2=1959,1960,
&end
#
# 45 MET HA 45 MET HB- 2.80 (# 2461:20 Unique 2.23, 2.49 A)
&rst
ixpk= 2461, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 730, 731,
&end
#
# 0 AMB 20-2:2462 45 MET HB- 4.40 (# 2462:20 Single 0.00, 0.00 )
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 743,1043,
igr2= 730, 731,
&end
#
# 45 MET HA 45 MET HB+ 3.00 (# 2463:20 Unique 2.23, 2.49 A)
&rst
ixpk= 2463, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 730, 731,
&end
#
# 45 MET HN 45 MET HB+ 4.00 (# 2464:20 Unique 2.15, 2.87 A)
&rst
ixpk= 2464, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 730, 731,
&end
#
# 51 LYS HN 51 LYS HB- 4.00 (# 2467:20 Unique 2.06, 2.88 A)
&rst
ixpk= 2467, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:2468 0 AMB 20-1:2468 3.00 (# 2468:20 Double 0.00, 0.00 )
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1434,1422,
igr2=1404,1405,1404,1405,
&end
#
# 0 AMB 20-2:2469 88 LYS HB- 4.00 (# 2469:20 Single 0.00, 0.00 )
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1434,1422,
igr2=1404,1405,
&end
#
# 88 LYS HN 88 LYS HB- 3.80 (# 2470:20 Unique 2.76, 3.30 A)
&rst
ixpk= 2470, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1404,1405,
&end
#
# 45 MET HN 45 MET HG+ 3.00 (# 2471:20 Unique 3.12, 3.34 A)
&rst
ixpk= 2471, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 733, 734,
&end
#
# 46 GLY HN 45 MET HG+ 5.00 (# 2472:20 Unique 3.18, 4.09 A)
&rst
ixpk= 2472, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 733, 734,
&end
#
# 45 MET HA 45 MET HG+ 4.00 (# 2473:20 Unique 3.26, 3.77 A)
&rst
ixpk= 2473, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 44 PHE HA 45 MET HG+ 5.00 (# 2474:20 Unique 5.17, 5.43 A)
&rst
ixpk= 2474, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 733, 734,
&end
#
# 45 MET HN 45 MET HG- 3.00 (# 2475:20 Unique 3.12, 3.34 A)
&rst
ixpk= 2475, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 733, 734,
&end
#
# 46 GLY HN 45 MET HG- 4.00 (# 2476:20 Unique 3.18, 4.09 A)
&rst
ixpk= 2476, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 45 MET HA 45 MET HG- 4.00 (# 2477:20 Unique 3.26, 3.77 A)
&rst
ixpk= 2477, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 46 GLY HA- 45 MET HG- 5.00 (# 2478:20 Unique 3.03, 4.70 A)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746,
igr2= 733, 734,
&end
#
# 71 ASP HN 70 PRO HB+ 3.50 (# 2480:20 Unique 2.18, 3.15 A)
&rst
ixpk= 2480, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1150,1151,
&end
#
# 24 ASP HN 23 GLU HB+ 4.60 (# 2481:20 Unique 3.31, 3.83 A)
&rst
ixpk= 2481, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 361, 362,
&end
#
# 24 ASP HN 23 GLU HB- 5.00 (# 2482:20 Unique 3.31, 3.83 A)
&rst
ixpk= 2482, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 361, 362,
&end
#
# 50 LYS HN 49 LYS HB- 4.50 (# 2487:20 Unique 3.97, 4.17 A)
&rst
ixpk= 2487, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 800, 801,
&end
#
# 49 LYS HN 49 LYS HB- 3.80 (# 2488:20 Unique 2.73, 3.17 A)
&rst
ixpk= 2488, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 800, 801,
&end
#
# 23 GLU HN 23 GLU HB+ 4.40 (# 2489:20 Unique 2.59, 3.25 A)
&rst
ixpk= 2489, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 361, 362,
&end
#
# 49 LYS HN 49 LYS HB+ 3.00 (# 2490:20 Unique 2.73, 3.17 A)
&rst
ixpk= 2490, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 800, 801,
&end
#
# 50 LYS HN 49 LYS HB+ 4.50 (# 2491:20 Unique 3.97, 4.17 A)
&rst
ixpk= 2491, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 800, 801,
&end
#
# 60 GLU HA 49 LYS HB- 6.00 (# 2493:20 Unique 4.56, 5.23 A)
&rst
ixpk= 2493, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 800, 801,
&end
#
# 18 ILE HN 17 GLU HB+ 4.00 (# 2497:20 Unique 2.65, 3.36 A)
&rst
ixpk= 2497, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 270, 271,
&end
#
# 0 AMB 20-2:2498 0 AMB 20-1:2498 4.50 (# 2498:20 Double 0.00, 0.00 )
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 796,1090,
igr2=1606,1607,1063,1064,
&end
#
# 0 AMB 20-2:2499 0 AMB 20-1:2499 4.00 (# 2499:20 Double 0.00, 0.00 )
&rst
ixpk= 2499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1074, 772,
igr2=1063,1064,1606,1607,
&end
#
# 0 AMB 20-2:2500 0 AMB 20-1:2500 3.00 (# 2500:20 Double 0.00, 0.00 )
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1059,1602,
igr2=1063,1064,1606,1607,
&end
#
# 45 MET HA 64 GLU HB+ 5.00 (# 2501:20 Unique 3.19, 4.35 A)
&rst
ixpk= 2501, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1063,1064,
&end
#
# 50 LYS HN 59 GLU HB+ 4.00 (# 2503:20 Unique 3.39, 4.20 A)
&rst
ixpk= 2503, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 981, 982,
&end
#
# 17 GLU HN 17 GLU HB- 4.00 (# 2504:20 Unique 2.76, 3.34 A)
&rst
ixpk= 2504, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 270, 271,
&end
#
# 65 VAL HN 64 GLU HB- 4.00 (# 2505:20 Unique 4.19, 4.31 A)
&rst
ixpk= 2505, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1063,1064,
&end
#
# 64 GLU HN 64 GLU HB- 3.00 (# 2506:20 Unique 2.51, 2.89 A)
&rst
ixpk= 2506, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1063,1064,
&end
#
# 45 MET HA 64 GLU HB- 5.00 (# 2507:20 Unique 3.19, 4.35 A)
&rst
ixpk= 2507, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1063,1064,
&end
#
# 101 GLU HN 101 GLU HB+ 3.30 (# 2508:20 Unique 2.55, 2.84 A)
&rst
ixpk= 2508, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1606,1607,
&end
#
# 0 AMB 20-2:2509 0 AMB 20-1:2509 5.40 (# 2509:20 Double 0.00, 0.00 )
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 745, 746, 752,
igr2=1606,1607,1606,1607,
&end
#
# 17 GLU HN 17 GLU HB+ 3.00 (# 2510:20 Unique 2.76, 3.34 A)
&rst
ixpk= 2510, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 270, 271,
&end
#
# 100 ILE HA 101 GLU HB- 4.50 (# 2513:20 Unique 4.19, 4.49 A)
&rst
ixpk= 2513, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1606,1607,
&end
#
# 47 LYS HA 60 GLU HB+ 5.60 (# 2514:20 Unique 4.02, 5.02 A)
&rst
ixpk= 2514, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 996, 997,
&end
#
# 60 GLU HA 60 GLU HB+ 3.00 (# 2515:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2515, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 996, 997,
&end
#
# 61 LYS HN 60 GLU HB+ 4.00 (# 2516:20 Unique 2.79, 3.84 A)
&rst
ixpk= 2516, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 996, 997,
&end
#
# 50 LYS HN 59 GLU HB+ 4.00 (# 2517:20 Unique 3.39, 4.20 A)
&rst
ixpk= 2517, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 981, 982,
&end
#
# 60 GLU HN 60 GLU HB+ 3.00 (# 2518:20 Unique 2.20, 2.97 A)
&rst
ixpk= 2518, nxpk= 20, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 996, 997,
&end
#
# 18 ILE HN 17 GLU HB- 4.00 (# 2519:20 Unique 2.65, 3.36 A)
&rst
ixpk= 2519, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 270, 271,
&end
#
# 0 AMB 20-2:2520 59 GLU HB- 3.50 (# 2520:20 Single 0.00, 0.00 )
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 977, 862,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:2523 0 AMB 20-1:2523 5.00 (# 2523:20 Double 0.00, 0.00 )
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 752, 745, 746,
igr2= 776, 777, 776, 777,
&end
#
# 48 TRP HN 48 TRP HB+ 3.00 (# 2524:20 Unique 2.33, 2.55 A)
&rst
ixpk= 2524, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 776, 777,
&end
#
# 48 TRP HA 48 TRP HB+ 3.50 (# 2526:20 Unique 2.51, 2.78 A)
&rst
ixpk= 2526, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 776, 777,
&end
#
# 0 AMB 20-2:2527 48 TRP HB- 5.00 (# 2527:20 Single 0.00, 0.00 )
&rst
ixpk= 2527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 752, 745, 746,
igr2= 776, 777,
&end
#
# 48 TRP HN 48 TRP HB- 3.00 (# 2528:20 Unique 2.33, 2.55 A)
&rst
ixpk= 2528, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 776, 777,
&end
#
# 48 TRP HA 48 TRP HB- 3.50 (# 2529:20 Unique 2.51, 2.78 A)
&rst
ixpk= 2529, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 776, 777,
&end
#
# 48 TRP HA 48 TRP HB+ 3.50 (# 2530:20 Unique 2.51, 2.78 A)
&rst
ixpk= 2530, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 776, 777,
&end
#
# 61 LYS HN 48 TRP HB+ 4.00 (# 2531:20 Unique 2.30, 3.41 A)
&rst
ixpk= 2531, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 61 LYS HN 48 TRP HB+ 4.00 (# 2532:20 Unique 2.30, 3.41 A)
&rst
ixpk= 2532, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 6 ARG HN 6 ARG HB- 3.00 (# 2534:20 Unique 2.38, 3.35 A)
&rst
ixpk= 2534, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 77, 78,
&end
#
# 82 VAL HN 81 GLU HB+ 4.30 (# 2536:20 Unique 3.60, 4.13 A)
&rst
ixpk= 2536, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1318,1319,
&end
#
# 21 ASP HN 20 VAL HB 4.00 (# 2540:20 Unique 1.80, 1.87 A)
&rst
ixpk= 2540, nxpk= 20, iat= 335, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 VAL HN 20 VAL HB 5.00 (# 2541:20 Unique 3.56, 3.64 A)
&rst
ixpk= 2541, nxpk= 20, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 GLU HN 81 GLU HB+ 3.00 (# 2542:20 Unique 2.18, 2.88 A)
&rst
ixpk= 2542, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1318,1319,
&end
#
# 81 GLU HA 81 GLU HB+ 3.00 (# 2543:20 Unique 2.58, 2.81 A)
&rst
ixpk= 2543, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1318,1319,
&end
#
# 81 GLU HN 81 GLU HB- 3.50 (# 2544:20 Unique 2.18, 2.88 A)
&rst
ixpk= 2544, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1318,1319,
&end
#
# 81 GLU HA 81 GLU HB- 3.50 (# 2545:20 Unique 2.58, 2.81 A)
&rst
ixpk= 2545, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1318,1319,
&end
#
# 0 AMB 20-2:2547 0 AMB 20-1:2547 3.00 (# 2547:20 Double 0.00, 0.00 )
&rst
ixpk= 2547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 237, 421,
igr2= 241, 242, 425, 426,
&end
#
# 16 THR HN 15 GLU HB+ 4.00 (# 2548:20 Unique 2.53, 3.36 A)
&rst
ixpk= 2548, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 241, 242,
&end
#
# 6 ARG HN 5 GLU HB+ 5.00 (# 2549:20 Unique 1.85, 2.71 A)
&rst
ixpk= 2549, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 62, 63,
&end
#
# 5 GLU HN 5 GLU HB+ 4.80 (# 2550:20 Unique 2.37, 3.06 A)
&rst
ixpk= 2550, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 62, 63,
&end
#
# 0 AMB 20-2:2551 0 AMB 20-1:2551 3.00 (# 2551:20 Double 0.00, 0.00 )
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 237, 421,
igr2= 241, 242, 425, 426,
&end
#
# 16 THR HN 15 GLU HB- 3.00 (# 2552:20 Unique 2.53, 3.36 A)
&rst
ixpk= 2552, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 241, 242,
&end
#
# 113 ILE HN 113 ILE HG1+ 3.30 (# 2553:20 Unique 1.96, 3.10 A)
&rst
ixpk= 2553, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1776,1777,
&end
#
# 5 GLU HN 5 GLU HB- 4.00 (# 2554:20 Unique 2.37, 3.06 A)
&rst
ixpk= 2554, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 62, 63,
&end
#
# 13 ARG HN 13 ARG HB- 3.80 (# 2555:20 Unique 2.70, 3.19 A)
&rst
ixpk= 2555, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 198, 199,
&end
#
# 14 ILE HN 13 ARG HB- 3.50 (# 2556:20 Unique 1.83, 2.50 A)
&rst
ixpk= 2556, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 198, 199,
&end
#
# 113 ILE HN 113 ILE HG1- 3.50 (# 2557:20 Unique 1.96, 3.10 A)
&rst
ixpk= 2557, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 117 LEU HN 116 TRP HB- 4.00 (# 2558:20 Unique 2.25, 3.28 A)
&rst
ixpk= 2558, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1811,1812,
&end
#
# 111 GLU HN 111 GLU HB+ 3.00 (# 2560:20 Unique 2.44, 3.04 A)
&rst
ixpk= 2560, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1745,1746,
&end
#
# 112 ALA HN 111 GLU HB+ 3.00 (# 2561:20 Unique 2.40, 2.91 A)
&rst
ixpk= 2561, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1745,1746,
&end
#
# 73 GLU HN 73 GLU HB- 4.60 (# 2562:20 Unique 2.51, 3.13 A)
&rst
ixpk= 2562, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1185,1186,
&end
#
# 13 ARG HN 13 ARG HB+ 3.50 (# 2563:20 Unique 2.70, 3.19 A)
&rst
ixpk= 2563, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 198, 199,
&end
#
# 14 ILE HN 13 ARG HB+ 3.50 (# 2564:20 Unique 1.83, 2.50 A)
&rst
ixpk= 2564, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 198, 199,
&end
#
# 116 TRP HN 116 TRP HB+ 3.00 (# 2565:20 Unique 2.12, 2.57 A)
&rst
ixpk= 2565, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1811,1812,
&end
#
# 116 TRP HN 116 TRP HB- 3.00 (# 2566:20 Unique 2.12, 2.57 A)
&rst
ixpk= 2566, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1811,1812,
&end
#
# 25 LYS HN 25 LYS HD+ 4.20 (# 2567:20 Unique 1.93, 3.17 A)
&rst
ixpk= 2567, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 394, 395,
&end
#
# 12 HIS HN 12 HIS HB+ 3.50 (# 2569:20 Unique 2.22, 2.86 A)
&rst
ixpk= 2569, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 181, 182,
&end
#
# 13 ARG HN 12 HIS HB+ 4.00 (# 2570:20 Unique 2.05, 2.68 A)
&rst
ixpk= 2570, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 181, 182,
&end
#
# 13 ARG HN 12 HIS HB- 3.00 (# 2571:20 Unique 2.05, 2.68 A)
&rst
ixpk= 2571, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 181, 182,
&end
#
# 12 HIS HN 12 HIS HB- 3.60 (# 2572:20 Unique 2.22, 2.86 A)
&rst
ixpk= 2572, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 181, 182,
&end
#
# 0 AMB 20-2:2573 0 AMB 20-1:2573 5.00 (# 2573:20 Double 0.00, 0.00 )
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1571,1583,
igr2=1529,1530,1529,1530,
&end
#
# 0 AMB 20-2:2574 0 AMB 20-1:2574 4.00 (# 2574:20 Double 0.00, 0.00 )
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1519,1298,
igr2=1529,1530,1529,1530,
&end
#
# 0 AMB 20-2:2575 0 AMB 20-1:2575 5.00 (# 2575:20 Double 0.00, 0.00 )
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 787, 780,1285,1294,
igr2=1529,1530,1529,1530,1529,1530,
&end
#
# 0 AMB 20-2:2576 65 VAL HB 4.50 (# 2576:20 Single 0.00, 0.00 )
&rst
ixpk= 2576, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 714, 722, 680, 688,
&end
#
# 65 VAL HN 65 VAL HB 3.00 (# 2577:20 Unique 2.32, 2.50 A)
&rst
ixpk= 2577, nxpk= 20, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 CYS HN 74 CYS HB+ 4.60 (# 2579:20 Unique 2.45, 3.14 A)
&rst
ixpk= 2579, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1200,1201,
&end
#
# 74 CYS HA 74 CYS HB+ 3.60 (# 2580:20 Unique 2.38, 2.57 A)
&rst
ixpk= 2580, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1200,1201,
&end
#
# 74 CYS HA 74 CYS HB- 3.60 (# 2581:20 Unique 2.38, 2.57 A)
&rst
ixpk= 2581, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1200,1201,
&end
#
# 74 CYS HN 74 CYS HB- 4.10 (# 2582:20 Unique 2.45, 3.14 A)
&rst
ixpk= 2582, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1200,1201,
&end
#
# 98 SER HN 96 LYS HD+ 6.00 (# 2583:20 Unique 5.02, 6.17 A)
&rst
ixpk= 2583, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1529,1530,
&end
#
# 47 LYS HN 47 LYS HD+ 5.00 (# 2584:20 Unique 3.09, 4.03 A)
&rst
ixpk= 2584, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 760, 761,
&end
#
# 47 LYS HA 47 LYS HD+ 2.80 (# 2585:20 Unique 1.85, 2.38 A)
&rst
ixpk= 2585, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:2586 0 AMB 20-1:2586 3.00 (# 2586:20 Double 0.00, 0.00 )
&rst
ixpk= 2586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 796,1007,
igr2= 806, 807, 806, 807,
&end
#
# 48 TRP HN 47 LYS HD- 5.00 (# 2587:20 Unique 3.91, 4.28 A)
&rst
ixpk= 2587, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 760, 761,
&end
#
# 47 LYS HN 47 LYS HD- 4.50 (# 2588:20 Unique 3.09, 4.03 A)
&rst
ixpk= 2588, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 760, 761,
&end
#
# 44 PHE HN 65 VAL HB 3.60 (# 2590:20 Unique 1.70, 2.08 A)
&rst
ixpk= 2590, nxpk= 20, iat= 706,1078, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 67 GLY HN 65 VAL HB 4.80 (# 2591:20 Unique 2.95, 4.06 A)
&rst
ixpk= 2591, nxpk= 20, iat=1109,1078, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 8 GLU HN 8 GLU HB+ 4.20 (# 2592:20 Unique 2.60, 3.76 A)
&rst
ixpk= 2592, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 113, 114,
&end
#
# 8 GLU HN 8 GLU HB- 4.20 (# 2593:20 Unique 2.60, 3.76 A)
&rst
ixpk= 2593, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 113, 114,
&end
#
# 76 LYS HN 76 LYS HD+ 4.50 (# 2594:20 Unique 2.03, 4.18 A)
&rst
ixpk= 2594, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1236,1237,
&end
#
# 76 LYS HA 76 LYS HD+ 5.00 (# 2595:20 Unique 3.89, 4.51 A)
&rst
ixpk= 2595, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1236,1237,
&end
#
# 48 TRP HN 47 LYS HD+ 5.00 (# 2596:20 Unique 3.91, 4.28 A)
&rst
ixpk= 2596, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 760, 761,
&end
#
# 60 GLU HA 49 LYS HD+ 4.50 (# 2597:20 Unique 2.83, 4.11 A)
&rst
ixpk= 2597, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 806, 807,
&end
#
# 60 GLU HA 49 LYS HD+ 4.50 (# 2598:20 Unique 2.83, 4.11 A)
&rst
ixpk= 2598, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 806, 807,
&end
#
# 51 LYS HN 51 LYS HD+ 4.60 (# 2599:20 Unique 3.10, 3.91 A)
&rst
ixpk= 2599, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 850, 851,
&end
#
# 126 PHE HN 125 LYS HD+ 5.10 (# 2600:20 Unique 3.50, 5.07 A)
&rst
ixpk= 2600, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1986,1987,
&end
#
# 47 LYS HA 47 LYS HD- 3.00 (# 2601:20 Unique 1.85, 2.38 A)
&rst
ixpk= 2601, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:2602 0 AMB 20-1:2602 5.00 (# 2602:20 Double 0.00, 0.00 )
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
igr1=1029,1355,1386,1059,
igr2=1017,1018,1017,1018,1017,1018,1017,1018,
&end
#
# 0 AMB 20-2:2603 0 AMB 20-1:2603 6.00 (# 2603:20 Double 0.00, 0.00 )
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1482,1491, 789,
igr2=1017,1018,1017,1018,
&end
#
# 32 TRP HN 32 TRP HB- 3.50 (# 2605:20 Unique 2.19, 2.91 A)
&rst
ixpk= 2605, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 26 GLU HN 26 GLU HB+ 3.00 (# 2609:20 Unique 2.32, 3.02 A)
&rst
ixpk= 2609, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 410, 411,
&end
#
# 27 GLU HN 26 GLU HB+ 3.00 (# 2610:20 Unique 2.10, 2.73 A)
&rst
ixpk= 2610, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 410, 411,
&end
#
# 110 GLN HN 110 GLN HB+ 3.00 (# 2611:20 Unique 2.15, 2.56 A)
&rst
ixpk= 2611, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 0 AMB 20-2:2612 0 AMB 20-1:2612 3.00 (# 2612:20 Double 0.00, 0.00 )
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1741, 421,
igr2=1728,1729, 410, 411,
&end
#
# 26 GLU HN 26 GLU HB- 3.80 (# 2613:20 Unique 2.32, 3.02 A)
&rst
ixpk= 2613, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 410, 411,
&end
#
# 111 GLU HN 110 GLN HB- 3.00 (# 2614:20 Unique 2.07, 2.75 A)
&rst
ixpk= 2614, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 110 GLN HN 110 GLN HB- 3.00 (# 2615:20 Unique 2.15, 2.56 A)
&rst
ixpk= 2615, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 109 THR HN 110 GLN HB- 6.00 (# 2616:20 Unique 4.86, 5.17 A)
&rst
ixpk= 2616, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1728,1729,
&end
#
# 125 LYS HN 125 LYS HD+ 4.50 (# 2617:20 Unique 3.28, 4.36 A)
&rst
ixpk= 2617, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1986,1987,
&end
#
# 0 AMB 20-2:2619 0 AMB 20-1:2619 4.50 (# 2619:20 Double 0.00, 0.00 )
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 791,1482,1491,
igr2=1017,1018,1017,1018,
&end
#
# 7 ASP HN 6 ARG HG+ 4.50 (# 2622:20 Unique 1.97, 3.10 A)
&rst
ixpk= 2622, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 80, 81,
&end
#
# 6 ARG HN 6 ARG HG+ 4.00 (# 2623:20 Unique 1.83, 3.25 A)
&rst
ixpk= 2623, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 80, 81,
&end
#
# 32 TRP HN 32 TRP HB+ 3.50 (# 2624:20 Unique 2.19, 2.91 A)
&rst
ixpk= 2624, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 11 GLU HN 11 GLU HB- 3.50 (# 2625:20 Unique 2.27, 2.97 A)
&rst
ixpk= 2625, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 166, 167,
&end
#
# 12 HIS HN 11 GLU HB- 3.00 (# 2626:20 Unique 1.96, 2.58 A)
&rst
ixpk= 2626, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 166, 167,
&end
#
# 41 GLU HN 41 GLU HB+ 4.00 (# 2627:20 Unique 2.21, 3.12 A)
&rst
ixpk= 2627, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 661, 662,
&end
#
# 41 GLU HN 41 GLU HB- 4.00 (# 2629:20 Unique 2.21, 3.12 A)
&rst
ixpk= 2629, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 661, 662,
&end
#
# 119 TRP HN 119 TRP HB+ 3.00 (# 2630:20 Unique 2.08, 2.62 A)
&rst
ixpk= 2630, nxpk= 20, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1875,1876,
&end
#
# 42 PHE HN 41 GLU HB- 4.80 (# 2631:20 Unique 4.05, 4.42 A)
&rst
ixpk= 2631, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 661, 662,
&end
#
# 119 TRP HN 119 TRP HB- 3.00 (# 2634:20 Unique 2.08, 2.62 A)
&rst
ixpk= 2634, nxpk= 20, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1875,1876,
&end
#
# 58 ILE HN 58 ILE HG1- 3.00 (# 2636:20 Unique 2.68, 3.44 A)
&rst
ixpk= 2636, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 968, 969,
&end
#
# 84 ASP HA 85 ILE HG1+ 4.00 (# 2637:20 Unique 3.78, 4.32 A)
&rst
ixpk= 2637, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1377,1378,
&end
#
# 58 ILE HN 58 ILE HG1+ 4.00 (# 2638:20 Unique 2.68, 3.44 A)
&rst
ixpk= 2638, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 968, 969,
&end
#
# 36 LEU HN 36 LEU HG 5.00 (# 2641:20 Unique 4.34, 4.41 A)
&rst
ixpk= 2641, nxpk= 20, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 LEU HN 40 LEU MDX 4.00 (# 2642:20 Unique 2.04, 3.86 A)
&rst
ixpk= 2642, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 76 LYS HN 75 LEU HG 6.00 (# 2643:20 Unique 4.46, 4.67 A)
&rst
ixpk= 2643, nxpk= 20, iat=1226,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 75 LEU HN 75 LEU HG 4.40 (# 2644:20 Unique 2.90, 3.06 A)
&rst
ixpk= 2644, nxpk= 20, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 74 CYS HN 75 LEU HG 7.00 (# 2645:20 Unique 3.68, 3.85 A)
&rst
ixpk= 2645, nxpk= 20, iat=1196,1214, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 85 ILE HN 85 ILE HG1- 2.80 (# 2646:20 Unique 1.84, 2.37 A)
&rst
ixpk= 2646, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1377,1378,
&end
#
# 0 AMB 20-2:2647 85 ILE HG1- 4.00 (# 2647:20 Single 0.00, 0.00 )
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1059,1386,
igr2=1377,1378,
&end
#
# 63 VAL HA 85 ILE HG1- 3.50 (# 2648:20 Unique 1.94, 2.84 A)
&rst
ixpk= 2648, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1377,1378,
&end
#
# 85 ILE HN 85 ILE HG1+ 3.00 (# 2649:20 Unique 1.84, 2.37 A)
&rst
ixpk= 2649, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1377,1378,
&end
#
# 63 VAL HA 85 ILE HG1+ 3.50 (# 2650:20 Unique 1.94, 2.84 A)
&rst
ixpk= 2650, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1377,1378,
&end
#
# 0 AMB 20-2:2651 0 AMB 20-1:2651 4.00 (# 2651:20 Double 0.00, 0.00 )
&rst
ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1059,1386,1029,
igr2=1377,1378,1377,1378,1377,1378,
&end
#
# 117 LEU HN 117 LEU HG 3.00 (# 2652:20 Unique 2.16, 2.55 A)
&rst
ixpk= 2652, nxpk= 20, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 118 TYR HN 117 LEU HG 5.00 (# 2653:20 Unique 4.44, 4.67 A)
&rst
ixpk= 2653, nxpk= 20, iat=1850,1838, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 LYS HN 103 ILE HG1+ 5.00 (# 2654:20 Unique 2.38, 4.37 A)
&rst
ixpk= 2654, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1637,1638,
&end
#
# 116 TRP HE1 97 LEU HG 5.50 (# 2655:20 Unique 4.50, 4.87 A)
&rst
ixpk= 2655, nxpk= 20, iat=1817,1548, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 LEU HN 97 LEU HG 4.50 (# 2656:20 Unique 3.75, 3.93 A)
&rst
ixpk= 2656, nxpk= 20, iat=1541,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 TRP HD+ 97 LEU HG 4.00 (# 2657:20 Unique 3.31, 3.96 A)
&rst
ixpk= 2657, nxpk= 20, iat=1815,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 TRP HD- 97 LEU HG 4.50 (# 2658:20 Unique 3.31, 3.96 A)
&rst
ixpk= 2658, nxpk= 20, iat=1815,1548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 LYS HN 103 ILE HG1- 4.00 (# 2659:20 Unique 2.38, 4.37 A)
&rst
ixpk= 2659, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1637,1638,
&end
#
# 46 GLY HA- 103 ILE HG1- 6.00 (# 2660:20 Unique 2.89, 5.31 A)
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 745, 746,
igr2=1637,1638,
&end
#
# 0 AMB 20-2:2661 103 ILE HG1- 4.50 (# 2661:20 Single 0.00, 0.00 )
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1627,1646,
igr2=1637,1638,
&end
#
# 19 ILE HN 19 ILE HG1- 3.00 (# 2662:20 Unique 1.82, 2.66 A)
&rst
ixpk= 2662, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 310, 311,
&end
#
# 19 ILE HN 19 ILE HG1+ 3.00 (# 2663:20 Unique 1.82, 2.66 A)
&rst
ixpk= 2663, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:2664 0 AMB 20-1:2664 4.00 (# 2664:20 Double 0.00, 0.00 )
&rst
ixpk= 2664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1627,1646,
igr2=1637,1638,1637,1638,
&end
#
# 46 GLY HA- 103 ILE HG1+ 6.00 (# 2665:20 Unique 2.89, 5.31 A)
&rst
ixpk= 2665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 745, 746,
igr2=1637,1638,
&end
#
# 0 AMB 20-2:2672 100 ILE HG1- 5.20 (# 2672:20 Single 0.00, 0.00 )
&rst
ixpk= 2672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 796,1007,
igr2=1593,1594,
&end
#
# 100 ILE HN 100 ILE HG1- 5.00 (# 2673:20 Unique 4.46, 4.71 A)
&rst
ixpk= 2673, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1593,1594,
&end
#
# 100 ILE HA 100 ILE HG1- 3.00 (# 2674:20 Unique 1.95, 2.62 A)
&rst
ixpk= 2674, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 100 ILE HN 100 ILE HG1+ 5.00 (# 2675:20 Unique 4.46, 4.71 A)
&rst
ixpk= 2675, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1593,1594,
&end
#
# 46 GLY HA- 100 ILE HG1+ 4.00 (# 2676:20 Unique 1.93, 4.16 A)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 745, 746,
igr2=1593,1594,
&end
#
# 44 PHE HE- 40 LEU HG 4.80 (# 2682:20 Unique 2.83, 4.27 A)
&rst
ixpk= 2682, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 716, 720,
&end
#
# 40 LEU HN 40 LEU HG 4.00 (# 2683:20 Unique 3.83, 4.08 A)
&rst
ixpk= 2683, nxpk= 20, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 116 TRP HE1 120 LEU MDY 4.00 (# 2686:20 Unique 2.34, 4.80 A)
&rst
ixpk= 2686, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 121 ALA HN 120 LEU MDY 4.60 (# 2687:20 Unique 2.39, 4.72 A)
&rst
ixpk= 2687, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 120 LEU HN 0 AMB 20-1:2688 5.00 (# 2688:20 Single 0.00, 0.00 )
&rst
ixpk= 2688, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1904,1905,1906,1908,1909,1910,1928,1929,
&end
#
# 119 TRP HD- 120 LEU MDY 6.00 (# 2689:20 Unique 3.91, 5.44 A)
&rst
ixpk= 2689, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 40 LEU HN 40 LEU MDY 4.00 (# 2693:20 Unique 2.04, 3.86 A)
&rst
ixpk= 2693, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:2696 0 AMB 20-1:2696 4.00 (# 2696:20 Double 0.00, 0.00 )
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1345,1059,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 66 LEU HN 0 AMB 20-1:2697 4.00 (# 2697:20 Single 0.00, 0.00 )
&rst
ixpk= 2697, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 82 VAL HA 66 LEU MDY 5.00 (# 2698:20 Unique 2.10, 4.26 A)
&rst
ixpk= 2698, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 117 LEU HN 120 LEU MDY 6.00 (# 2699:20 Unique 4.59, 7.16 A)
&rst
ixpk= 2699, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:2700 0 AMB 20-1:2700 5.40 (# 2700:20 Double 0.00, 0.00 )
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 568, 577,1109,
igr2= 291, 292,1097,
&end
#
# 83 ALA HA 66 LEU MDY 6.00 (# 2701:20 Unique 3.98, 6.27 A)
&rst
ixpk= 2701, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 35 TYR HD+ 36 LEU MDX 6.00 (# 2702:20 Unique 3.74, 8.52 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 568, 577,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 35 TYR HE+ 36 LEU MDX 5.00 (# 2704:20 Unique 2.79, 9.79 A)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 570, 575,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:2705 36 LEU MDX 4.00 (# 2705:20 Single 0.00, 0.00 )
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 570, 575,1277,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:2706 36 LEU MDX 5.00 (# 2706:20 Single 0.00, 0.00 )
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 568, 577, 680, 688,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 50 LYS HN 49 LYS HG- 6.00 (# 2708:20 Unique 4.97, 5.58 A)
&rst
ixpk= 2708, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 803, 804,
&end
#
# 117 LEU HN 117 LEU MDX 4.00 (# 2709:20 Unique 1.94, 4.26 A)
&rst
ixpk= 2709, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:2710 117 LEU MDX 4.50 (# 2710:20 Single 0.00, 0.00 )
&rst
ixpk= 2710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1850,1914,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 76 LYS HN 75 LEU MDY 5.00 (# 2711:20 Unique 5.07, 6.06 A)
&rst
ixpk= 2711, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 76 LYS HN 76 LYS HG+ 3.00 (# 2714:20 Unique 2.50, 3.53 A)
&rst
ixpk= 2714, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1233,1234,
&end
#
# 77 ASP HN 76 LYS HG+ 4.00 (# 2715:20 Unique 1.88, 3.95 A)
&rst
ixpk= 2715, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1233,1234,
&end
#
# 75 LEU HN 76 LYS HG+ 5.00 (# 2716:20 Unique 2.79, 4.36 A)
&rst
ixpk= 2716, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1233,1234,
&end
#
# 76 LYS HA 76 LYS HG+ 4.00 (# 2717:20 Unique 2.59, 3.32 A)
&rst
ixpk= 2717, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1233,1234,
&end
#
# 49 LYS HN 49 LYS HG+ 3.00 (# 2718:20 Unique 1.60, 2.62 A)
&rst
ixpk= 2718, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 803, 804,
&end
#
# 50 LYS HN 49 LYS HG+ 6.00 (# 2719:20 Unique 4.97, 5.58 A)
&rst
ixpk= 2719, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 803, 804,
&end
#
# 49 LYS HN 49 LYS HG- 3.60 (# 2720:20 Unique 1.60, 2.62 A)
&rst
ixpk= 2720, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 803, 804,
&end
#
# 60 GLU HA 49 LYS HG- 6.00 (# 2721:20 Unique 4.97, 5.62 A)
&rst
ixpk= 2721, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 803, 804,
&end
#
# 72 ASP HN 75 LEU MDY 6.00 (# 2722:20 Unique 5.02, 6.51 A)
&rst
ixpk= 2722, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 29 ALA HN 75 LEU MDY 7.00 (# 2723:20 Unique 4.84, 7.26 A)
&rst
ixpk= 2723, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HN 75 LEU MDY 5.00 (# 2724:20 Unique 3.49, 4.88 A)
&rst
ixpk= 2724, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 47 LYS HN 47 LYS HG+ 5.00 (# 2726:20 Unique 4.34, 4.53 A)
&rst
ixpk= 2726, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 757, 758,
&end
#
# 60 GLU HA 49 LYS HG+ 5.00 (# 2727:20 Unique 4.97, 5.62 A)
&rst
ixpk= 2727, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 803, 804,
&end
#
# 51 LYS HN 51 LYS HG+ 4.80 (# 2728:20 Unique 3.83, 4.38 A)
&rst
ixpk= 2728, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 847, 848,
&end
#
# 88 LYS HN 88 LYS HG+ 3.60 (# 2729:20 Unique 1.94, 2.90 A)
&rst
ixpk= 2729, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1407,1408,
&end
#
# 48 TRP HN 47 LYS HG+ 5.00 (# 2730:20 Unique 3.70, 4.64 A)
&rst
ixpk= 2730, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:2731 0 AMB 20-1:2731 6.00 (# 2731:20 Double 0.00, 0.00 )
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1422,1434,
igr2=1407,1408,1407,1408,
&end
#
# 47 LYS HA 47 LYS HG+ 4.00 (# 2732:20 Unique 2.56, 3.12 A)
&rst
ixpk= 2732, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 757, 758,
&end
#
# 47 LYS HN 47 LYS HG- 4.80 (# 2733:20 Unique 4.34, 4.53 A)
&rst
ixpk= 2733, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 757, 758,
&end
#
# 47 LYS HA 47 LYS HG- 3.00 (# 2734:20 Unique 2.56, 3.12 A)
&rst
ixpk= 2734, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 757, 758,
&end
#
# 62 THR HA 47 LYS HG- 4.00 (# 2735:20 Unique 3.82, 4.75 A)
&rst
ixpk= 2735, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 757, 758,
&end
#
# 48 TRP HN 47 LYS HG- 4.00 (# 2736:20 Unique 3.70, 4.64 A)
&rst
ixpk= 2736, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 757, 758,
&end
#
# 62 THR HN 0 AMB 20-1:2737 4.00 (# 2737:20 Single 0.00, 0.00 )
&rst
ixpk= 2737, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1014,1015, 757, 758,
&end
#
# 61 LYS HN 61 LYS HG- 4.60 (# 2738:20 Unique 4.15, 4.42 A)
&rst
ixpk= 2738, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1014,1015,
&end
#
# 62 THR HN 0 AMB 20-1:2739 4.00 (# 2739:20 Single 0.00, 0.00 )
&rst
ixpk= 2739, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1014,1015,1014,1015,
&end
#
# 25 LYS HN 25 LYS HG+ 3.50 (# 2741:20 Unique 1.82, 3.07 A)
&rst
ixpk= 2741, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 391, 392,
&end
#
# 0 AMB 20-2:2742 25 LYS HG- 3.00 (# 2742:20 Single 0.00, 0.00 )
&rst
ixpk= 2742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 384, 406,
igr2= 391, 392,
&end
#
# 81 GLU HN 80 VAL MGY 3.50 (# 2743:20 Unique 2.89, 4.55 A)
&rst
ixpk= 2743, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 69 ALA HN 80 VAL MGY 4.30 (# 2744:20 Unique 3.66, 5.81 A)
&rst
ixpk= 2744, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 67 GLY HN 80 VAL MGY 4.00 (# 2745:20 Unique 3.36, 4.96 A)
&rst
ixpk= 2745, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL HA 80 VAL MGY 3.00 (# 2746:20 Unique 2.03, 3.55 A)
&rst
ixpk= 2746, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 125 LYS HN 125 LYS HG+ 3.00 (# 2747:20 Unique 2.41, 3.50 A)
&rst
ixpk= 2747, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1983,1984,
&end
#
# 126 PHE HN 125 LYS HG+ 5.00 (# 2748:20 Unique 2.13, 4.90 A)
&rst
ixpk= 2748, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1983,1984,
&end
#
# 80 VAL HN 80 VAL MGY 4.00 (# 2749:20 Unique 2.42, 3.61 A)
&rst
ixpk= 2749, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 44 PHE HD- 80 VAL MGY 6.00 (# 2750:20 Unique 4.31, 7.12 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 714, 722,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 50 LYS HN 50 LYS HG+ 4.80 (# 2751:20 Unique 4.39, 4.53 A)
&rst
ixpk= 2751, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 825, 826,
&end
#
# 83 ALA HA 82 VAL MGY 5.00 (# 2753:20 Unique 3.27, 5.19 A)
&rst
ixpk= 2753, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 76 LYS HN 75 LEU MDX 6.00 (# 2755:20 Unique 5.07, 6.06 A)
&rst
ixpk= 2755, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:2756 75 LEU MDX 5.00 (# 2756:20 Single 0.00, 0.00 )
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 406, 436,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 27 GLU HN 75 LEU MDX 5.00 (# 2757:20 Unique 5.62, 7.63 A)
&rst
ixpk= 2757, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 74 CYS HN 75 LEU MDX 4.90 (# 2758:20 Unique 4.09, 5.79 A)
&rst
ixpk= 2758, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HN 75 LEU MDX 4.20 (# 2759:20 Unique 3.49, 4.88 A)
&rst
ixpk= 2759, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 45 MET HN 105 VAL MGY 4.40 (# 2760:20 Unique 4.19, 6.36 A)
&rst
ixpk= 2760, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 106 ASP HN 105 VAL MGY 3.00 (# 2761:20 Unique 2.61, 4.12 A)
&rst
ixpk= 2761, nxpk= 20, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:2762 105 VAL MGY 6.00 (# 2762:20 Single 0.00, 0.00 )
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1710, 706,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 105 VAL HN 105 VAL MGY 3.60 (# 2763:20 Unique 2.34, 3.31 A)
&rst
ixpk= 2763, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 44 PHE HD+ 105 VAL MGY 4.00 (# 2764:20 Unique 2.01, 5.77 A)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 714, 722,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 44 PHE HD- 105 VAL MGY 4.00 (# 2765:20 Unique 2.01, 5.77 A)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 714, 722,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:2766 105 VAL MGY 4.40 (# 2766:20 Single 0.00, 0.00 )
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 708, 745, 746,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:2767 82 VAL MGY 5.00 (# 2767:20 Single 0.00, 0.00 )
&rst
ixpk= 2767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1043,1519,1298,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HN 82 VAL MGY 4.40 (# 2768:20 Unique 2.29, 4.73 A)
&rst
ixpk= 2768, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2769 82 VAL MGY 3.00 (# 2769:20 Single 0.00, 0.00 )
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1329,1059,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2770 82 VAL MGY 6.00 (# 2770:20 Single 0.00, 0.00 )
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1482,1491, 791,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HA 82 VAL MGY 3.00 (# 2771:20 Unique 2.16, 3.41 A)
&rst
ixpk= 2771, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL HA 82 VAL MGY 5.00 (# 2772:20 Unique 3.79, 5.32 A)
&rst
ixpk= 2772, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 65 VAL HN 82 VAL MGY 5.50 (# 2773:20 Unique 2.63, 5.15 A)
&rst
ixpk= 2773, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 66 LEU HN 82 VAL MGY 4.80 (# 2774:20 Unique 2.77, 5.50 A)
&rst
ixpk= 2774, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 67 GLY HN 82 VAL MGY 6.00 (# 2775:20 Unique 4.19, 7.09 A)
&rst
ixpk= 2775, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2776 82 VAL MGY 5.30 (# 2776:20 Single 0.00, 0.00 )
&rst
ixpk= 2776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1=1316,1476,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2777 83 ALA MB 6.00 (# 2777:20 Single 0.00, 0.00 )
&rst
ixpk= 2777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1367,1434,
igr2=1349,1350,1351,
&end
#
# 93 TYR HN 83 ALA MB 5.00 (# 2778:20 Unique 4.53, 5.47 A)
&rst
ixpk= 2778, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1349,1350,1351,
&end
#
# 0 AMB 20-2:2779 83 ALA MB 3.00 (# 2779:20 Single 0.00, 0.00 )
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1345,1355,
igr2=1349,1350,1351,
&end
#
# 82 VAL HA 83 ALA MB 4.00 (# 2781:20 Unique 4.20, 4.84 A)
&rst
ixpk= 2781, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1349,1350,1351,
&end
#
# 63 VAL HA 83 ALA MB 5.50 (# 2782:20 Unique 5.14, 5.83 A)
&rst
ixpk= 2782, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1349,1350,1351,
&end
#
# 83 ALA HA 83 ALA MB 3.00 (# 2783:20 Unique 2.29, 2.63 A)
&rst
ixpk= 2783, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1349,1350,1351,
&end
#
# 78 MET HN 78 MET ME 4.50 (# 2784:20 Unique 2.47, 4.10 A)
&rst
ixpk= 2784, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1271,1272,1273,
&end
#
# 79 TYR HN 78 MET ME 5.00 (# 2785:20 Unique 3.39, 4.78 A)
&rst
ixpk= 2785, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:2786 78 MET ME 5.00 (# 2786:20 Single 0.00, 0.00 )
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 494,1287,1292,
igr2=1271,1272,1273,
&end
#
# 74 CYS HA 78 MET ME 5.60 (# 2790:20 Unique 3.11, 4.62 A)
&rst
ixpk= 2790, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1271,1272,1273,
&end
#
# 78 MET HA 78 MET ME 3.50 (# 2791:20 Unique 1.89, 2.93 A)
&rst
ixpk= 2791, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:2792 94 THR MG2 4.00 (# 2792:20 Single 0.00, 0.00 )
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1314,1495,
igr2=1501,1502,1503,
&end
#
# 79 TYR HE 94 THR MG2 4.00 (# 2793:20 Unique 2.10, 5.91 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1287,1292,
igr2=1501,1502,1503,
&end
#
# 79 TYR HD 94 THR MG2 5.00 (# 2794:20 Unique 1.95, 4.65 A)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1285,1294,
igr2=1501,1502,1503,
&end
#
# 79 TYR HA 94 THR MG2 5.00 (# 2795:20 Unique 4.23, 5.61 A)
&rst
ixpk= 2795, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1501,1502,1503,
&end
#
# 94 THR HA 94 THR MG2 3.00 (# 2796:20 Unique 2.02, 2.85 A)
&rst
ixpk= 2796, nxpk= 20, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1501,1502,1503,
&end
#
# 80 VAL HN 94 THR MG2 3.00 (# 2797:20 Unique 3.05, 4.10 A)
&rst
ixpk= 2797, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1501,1502,1503,
&end
#
# 82 VAL HN 94 THR MG2 5.00 (# 2798:20 Unique 4.21, 5.40 A)
&rst
ixpk= 2798, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1501,1502,1503,
&end
#
# 69 ALA HN 94 THR MG2 5.00 (# 2799:20 Unique 3.54, 4.24 A)
&rst
ixpk= 2799, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1501,1502,1503,
&end
#
# 79 TYR HN 94 THR MG2 6.00 (# 2800:20 Unique 5.35, 6.26 A)
&rst
ixpk= 2800, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1501,1502,1503,
&end
#
# 0 AMB 20-2:2801 0 AMB 20-1:2801 3.10 (# 2801:20 Double 0.00, 0.00 )
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 638,1807,
igr2= 630, 631, 632,1840,1841,1842,1844,1845,1846, 590,
591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:2802 0 AMB 20-1:2802 5.00 (# 2802:20 Double 0.00, 0.00 )
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
igr1= 570, 575, 570, 575, 624,
igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 0 AMB 20-2:2803 0 AMB 20-1:2803 6.00 (# 2803:20 Double 0.00, 0.00 )
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1824, 568, 577,
igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
595, 596,
&end
#
# 63 VAL HN 63 VAL MGY 3.00 (# 2808:20 Unique 2.19, 3.56 A)
&rst
ixpk= 2808, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HA 63 VAL MGY 3.00 (# 2809:20 Unique 1.97, 3.45 A)
&rst
ixpk= 2809, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2810 63 VAL MGY 5.00 (# 2810:20 Single 0.00, 0.00 )
&rst
ixpk= 2810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 772,1074,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2811 63 VAL MGY 4.00 (# 2811:20 Single 0.00, 0.00 )
&rst
ixpk= 2811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1345,1059,1355,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 85 ILE HN 63 VAL MGY 5.00 (# 2812:20 Unique 2.80, 4.96 A)
&rst
ixpk= 2812, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2813 63 VAL MGY 4.00 (# 2813:20 Single 0.00, 0.00 )
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1482,1491, 789,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2814 63 VAL MGY 3.00 (# 2814:20 Single 0.00, 0.00 )
&rst
ixpk= 2814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 791,1482,1491,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2815 0 AMB 20-1:2815 6.00 (# 2815:20 Double 0.00, 0.00 )
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1824,1815,1815,
igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
595, 596,
&end
#
# 117 LEU HN 117 LEU MDY 5.00 (# 2816:20 Unique 1.94, 4.26 A)
&rst
ixpk= 2816, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:2817 117 LEU MDY 5.00 (# 2817:20 Single 0.00, 0.00 )
&rst
ixpk= 2817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1785,1850,1914,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:2818 66 LEU MDX 4.00 (# 2818:20 Single 0.00, 0.00 )
&rst
ixpk= 2818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1345,1329,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 66 LEU HN 66 LEU MDX 3.00 (# 2819:20 Unique 1.94, 4.01 A)
&rst
ixpk= 2819, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 44 PHE HN 66 LEU MDX 6.00 (# 2820:20 Unique 4.54, 7.00 A)
&rst
ixpk= 2820, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 67 GLY HN 66 LEU MDX 5.00 (# 2821:20 Unique 4.42, 5.64 A)
&rst
ixpk= 2821, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 82 VAL HA 66 LEU MDX 4.00 (# 2822:20 Unique 2.10, 4.26 A)
&rst
ixpk= 2822, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 63 VAL HN 62 THR MG2 3.00 (# 2823:20 Unique 2.54, 3.72 A)
&rst
ixpk= 2823, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:2824 62 THR MG2 4.00 (# 2824:20 Single 0.00, 0.00 )
&rst
ixpk= 2824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 752, 745, 746,
igr2=1035,1036,1037,
&end
#
# 62 THR HA 62 THR MG2 3.00 (# 2825:20 Unique 2.34, 2.97 A)
&rst
ixpk= 2825, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:2826 62 THR MG2 5.40 (# 2826:20 Single 0.00, 0.00 )
&rst
ixpk= 2826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 772,1074,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:2827 62 THR MG2 4.00 (# 2827:20 Single 0.00, 0.00 )
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1029,1059,1386,
igr2=1035,1036,1037,
&end
#
# 65 VAL HN 66 LEU MDX 6.00 (# 2828:20 Unique 4.57, 6.45 A)
&rst
ixpk= 2828, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 65 VAL HN 65 VAL MGY 5.00 (# 2829:20 Unique 1.92, 3.82 A)
&rst
ixpk= 2829, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 66 LEU HN 65 VAL MGY 4.00 (# 2830:20 Unique 2.23, 4.12 A)
&rst
ixpk= 2830, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 44 PHE HN 65 VAL MGY 5.00 (# 2831:20 Unique 1.67, 3.95 A)
&rst
ixpk= 2831, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 81 GLU HN 65 VAL MGY 5.00 (# 2832:20 Unique 3.62, 5.70 A)
&rst
ixpk= 2832, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:2833 65 VAL MGY 5.00 (# 2833:20 Single 0.00, 0.00 )
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 680, 688, 714, 722,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 67 GLY HN 65 VAL MGY 3.30 (# 2834:20 Unique 1.83, 3.80 A)
&rst
ixpk= 2834, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 82 VAL HA 65 VAL MGY 5.00 (# 2836:20 Unique 3.28, 5.30 A)
&rst
ixpk= 2836, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 10 ARG HN 9 THR MG2 4.00 (# 2837:20 Unique 2.45, 3.79 A)
&rst
ixpk= 2837, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 130, 131, 132,
&end
#
# 9 THR HN 9 THR MG2 4.00 (# 2839:20 Unique 2.56, 3.45 A)
&rst
ixpk= 2839, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:2840 97 LEU MDX 6.50 (# 2840:20 Single 0.00, 0.00 )
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
igr1= 528, 533,1109,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 116 TRP HD+ 97 LEU MDX 4.00 (# 2841:20 Unique 2.31, 5.33 A)
&rst
ixpk= 2841, nxpk= 20, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 119 TRP HE1 120 LEU MDX 4.00 (# 2842:20 Unique 3.46, 5.94 A)
&rst
ixpk= 2842, nxpk= 20, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 121 ALA HN 120 LEU MDX 4.40 (# 2843:20 Unique 2.39, 4.72 A)
&rst
ixpk= 2843, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 119 TRP HD+ 120 LEU MDX 4.00 (# 2844:20 Unique 3.91, 5.44 A)
&rst
ixpk= 2844, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 119 TRP HD- 120 LEU MDX 4.00 (# 2845:20 Unique 3.91, 5.44 A)
&rst
ixpk= 2845, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:2846 95 ALA MB 5.00 (# 2846:20 Single 0.00, 0.00 )
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 791, 780,
igr2=1513,1514,1515,
&end
#
# 48 TRP HE1 95 ALA MB 5.00 (# 2847:20 Unique 4.99, 5.57 A)
&rst
ixpk= 2847, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1513,1514,1515,
&end
#
# 96 LYS HN 95 ALA MB 2.80 (# 2848:20 Unique 1.82, 2.47 A)
&rst
ixpk= 2848, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1513,1514,1515,
&end
#
# 48 TRP HZ2- 95 ALA MB 4.50 (# 2849:20 Unique 2.90, 3.71 A)
&rst
ixpk= 2849, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1513,1514,1515,
&end
#
# 48 TRP HZ2+ 95 ALA MB 6.00 (# 2850:20 Unique 2.90, 3.71 A)
&rst
ixpk= 2850, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
&end
#
# 94 THR HA 95 ALA MB 4.00 (# 2851:20 Unique 4.39, 5.02 A)
&rst
ixpk= 2851, nxpk= 20, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1513,1514,1515,
&end
#
# 57 THR HN 0 AMB 20-1:2852 5.00 (# 2852:20 Single 0.00, 0.00 )
&rst
ixpk= 2852, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 950, 951, 952, 925, 926, 927,
&end
#
# 58 ILE HN 57 THR MG2 3.00 (# 2853:20 Unique 2.84, 4.11 A)
&rst
ixpk= 2853, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 950, 951, 952,
&end
#
# 120 LEU HN 120 LEU MDX 4.00 (# 2854:20 Unique 3.70, 5.14 A)
&rst
ixpk= 2854, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 109 THR HN 109 THR MG2 4.00 (# 2855:20 Unique 4.32, 4.51 A)
&rst
ixpk= 2855, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 17 GLU HN 16 THR MG2 5.00 (# 2857:20 Unique 4.55, 5.19 A)
&rst
ixpk= 2857, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 258, 259, 260,
&end
#
# 16 THR HN 16 THR MG2 3.00 (# 2858:20 Unique 2.06, 3.08 A)
&rst
ixpk= 2858, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:2859 92 VAL MGY 5.00 (# 2859:20 Single 0.00, 0.00 )
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1495,1314,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 93 TYR HN 92 VAL MGY 3.00 (# 2860:20 Unique 2.31, 4.33 A)
&rst
ixpk= 2860, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 82 VAL HN 92 VAL MGY 3.00 (# 2861:20 Unique 2.94, 5.40 A)
&rst
ixpk= 2861, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 83 ALA HA 92 VAL MGY 4.00 (# 2862:20 Unique 2.27, 4.71 A)
&rst
ixpk= 2862, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 0 AMB 20-2:2863 92 VAL MGY 4.00 (# 2863:20 Single 0.00, 0.00 )
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1316,1476,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 106 ASP HN 109 THR MG2 4.00 (# 2864:20 Unique 3.69, 4.63 A)
&rst
ixpk= 2864, nxpk= 20, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 110 GLN HN 109 THR MG2 4.00 (# 2865:20 Unique 2.57, 3.68 A)
&rst
ixpk= 2865, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 122 ARG HN 4 VAL MGY 5.00 (# 2868:20 Unique 2.74, 4.67 A)
&rst
ixpk= 2868, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HN 4 VAL MGY 4.00 (# 2869:20 Unique 1.94, 3.75 A)
&rst
ixpk= 2869, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 21 ASP HN 20 VAL MGY 4.00 (# 2871:20 Unique 1.82, 3.82 A)
&rst
ixpk= 2871, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 17 GLU HN 20 VAL MGY 6.30 (# 2872:20 Unique 2.72, 5.44 A)
&rst
ixpk= 2872, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HN 20 VAL MGY 5.00 (# 2873:20 Unique 2.61, 4.20 A)
&rst
ixpk= 2873, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 105 VAL HN 102 ALA MB 5.50 (# 2874:20 Unique 3.93, 5.08 A)
&rst
ixpk= 2874, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1621,1622,1623,
&end
#
# 44 PHE HD- 102 ALA MB 5.50 (# 2875:20 Unique 2.66, 5.85 A)
&rst
ixpk= 2875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 714, 722,
igr2=1621,1622,1623,
&end
#
# 44 PHE HE+ 102 ALA MB 3.00 (# 2876:20 Unique 2.39, 5.53 A)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 716, 720,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:2877 102 ALA MB 6.00 (# 2877:20 Single 0.00, 0.00 )
&rst
ixpk= 2877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 745, 746, 708,
igr2=1621,1622,1623,
&end
#
# 92 VAL HN 92 VAL MGX 3.00 (# 2878:20 Unique 2.20, 3.71 A)
&rst
ixpk= 2878, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 102 ALA HN 102 ALA MB 3.00 (# 2879:20 Unique 2.26, 2.98 A)
&rst
ixpk= 2879, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:2880 102 ALA MB 4.50 (# 2880:20 Single 0.00, 0.00 )
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1627,1646,
igr2=1621,1622,1623,
&end
#
# 44 PHE HD+ 102 ALA MB 4.00 (# 2881:20 Unique 2.66, 5.85 A)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 714, 722,
igr2=1621,1622,1623,
&end
#
# 44 PHE HE- 102 ALA MB 5.00 (# 2882:20 Unique 2.39, 5.53 A)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 716, 720,
igr2=1621,1622,1623,
&end
#
# 91 ASP HN 92 VAL MGX 5.00 (# 2883:20 Unique 4.56, 6.82 A)
&rst
ixpk= 2883, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 0 AMB 20-2:2884 65 VAL MGX 5.00 (# 2884:20 Single 0.00, 0.00 )
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1329,1059,1345,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 42 PHE HD+ 65 VAL MGX 6.00 (# 2885:20 Unique 1.96, 6.75 A)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 680, 688,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 65 VAL HN 65 VAL MGX 3.40 (# 2886:20 Unique 1.92, 3.82 A)
&rst
ixpk= 2886, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 46 GLY HN 65 VAL MGX 5.60 (# 2887:20 Unique 3.93, 6.26 A)
&rst
ixpk= 2887, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 66 LEU HN 65 VAL MGX 5.00 (# 2888:20 Unique 2.23, 4.12 A)
&rst
ixpk= 2888, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 44 PHE HN 65 VAL MGX 6.00 (# 2889:20 Unique 1.67, 3.95 A)
&rst
ixpk= 2889, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:2890 65 VAL MGX 4.00 (# 2890:20 Single 0.00, 0.00 )
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 680, 688, 714, 722,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 44 PHE HE- 65 VAL MGX 4.00 (# 2892:20 Unique 1.99, 4.35 A)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 716, 720,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:2894 65 VAL MGX 5.00 (# 2894:20 Single 0.00, 0.00 )
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 745, 746, 708,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 28 ARG HN 22 ALA MB 4.60 (# 2896:20 Unique 3.32, 4.30 A)
&rst
ixpk= 2896, nxpk= 20, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 351, 352, 353,
&end
#
# 31 GLY HN 22 ALA MB 4.60 (# 2897:20 Unique 3.05, 3.58 A)
&rst
ixpk= 2897, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 351, 352, 353,
&end
#
# 22 ALA HN 22 ALA MB 3.60 (# 2898:20 Unique 2.07, 2.88 A)
&rst
ixpk= 2898, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 351, 352, 353,
&end
#
# 24 ASP HN 22 ALA MB 4.60 (# 2899:20 Unique 4.10, 4.81 A)
&rst
ixpk= 2899, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 351, 352, 353,
&end
#
# 23 GLU HN 22 ALA MB 4.60 (# 2900:20 Unique 3.74, 4.19 A)
&rst
ixpk= 2900, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 351, 352, 353,
&end
#
# 21 ASP HN 20 VAL MGX 5.50 (# 2902:20 Unique 1.82, 3.82 A)
&rst
ixpk= 2902, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HN 20 VAL MGX 4.50 (# 2903:20 Unique 2.61, 4.20 A)
&rst
ixpk= 2903, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 0 AMB 20-2:2904 2 ALA MB 6.00 (# 2904:20 Single 0.00, 0.00 )
&rst
ixpk= 2904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1948, 42,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:2905 2 ALA MB 6.00 (# 2905:20 Single 0.00, 0.00 )
&rst
ixpk= 2905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 31, 21,
igr2= 25, 26, 27,
&end
#
# 4 VAL HN 4 VAL MGX 3.00 (# 2907:20 Unique 1.94, 3.75 A)
&rst
ixpk= 2907, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 118 TYR HE 4 VAL MGX 5.00 (# 2910:20 Unique 3.81, 7.32 A)
&rst
ixpk= 2910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1860,1865,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 82 VAL HA 82 VAL MGX 4.00 (# 2912:20 Unique 2.16, 3.41 A)
&rst
ixpk= 2912, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2913 30 MET ME 5.00 (# 2913:20 Single 0.00, 0.00 )
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1226, 539,
igr2= 481, 482, 483,
&end
#
# 33 TYR HN 30 MET ME 5.00 (# 2914:20 Unique 4.88, 5.96 A)
&rst
ixpk= 2914, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 481, 482, 483,
&end
#
# 33 TYR HD 30 MET ME 5.00 (# 2915:20 Unique 3.01, 6.34 A)
&rst
ixpk= 2915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 526, 535,
igr2= 481, 482, 483,
&end
#
# 30 MET HN 30 MET ME 3.80 (# 2916:20 Unique 2.31, 3.27 A)
&rst
ixpk= 2916, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 481, 482, 483,
&end
#
# 75 LEU HN 30 MET ME 5.50 (# 2918:20 Unique 1.96, 5.06 A)
&rst
ixpk= 2918, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 481, 482, 483,
&end
#
# 33 TYR HE- 30 MET ME 6.00 (# 2919:20 Unique 4.78, 7.84 A)
&rst
ixpk= 2919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 528, 533,
igr2= 481, 482, 483,
&end
#
# 0 AMB 20-2:2920 82 VAL MGX 3.00 (# 2920:20 Single 0.00, 0.00 )
&rst
ixpk= 2920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1329,1059,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2921 82 VAL MGX 6.00 (# 2921:20 Single 0.00, 0.00 )
&rst
ixpk= 2921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1314,1495,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2922 82 VAL MGX 4.00 (# 2922:20 Single 0.00, 0.00 )
&rst
ixpk= 2922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1482,1491, 789,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2923 82 VAL MGX 4.00 (# 2923:20 Single 0.00, 0.00 )
&rst
ixpk= 2923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1482,1491, 791,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HN 82 VAL MGX 3.00 (# 2924:20 Unique 2.29, 4.73 A)
&rst
ixpk= 2924, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 83 ALA HA 82 VAL MGX 5.00 (# 2926:20 Unique 3.27, 5.19 A)
&rst
ixpk= 2926, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2927 82 VAL MGX 4.00 (# 2927:20 Single 0.00, 0.00 )
&rst
ixpk= 2927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1316,1476,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 19 ILE HN 19 ILE QG2 4.00 (# 2930:20 Unique 2.69, 3.95 A)
&rst
ixpk= 2930, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 306, 307, 308,
&end
#
# 22 ALA HN 19 ILE QG2 5.60 (# 2931:20 Unique 3.80, 4.94 A)
&rst
ixpk= 2931, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 306, 307, 308,
&end
#
# 32 TRP HN 19 ILE QG2 3.80 (# 2932:20 Unique 1.93, 3.21 A)
&rst
ixpk= 2932, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 306, 307, 308,
&end
#
# 0 AMB 20-2:2933 19 ILE QG2 6.00 (# 2933:20 Single 0.00, 0.00 )
&rst
ixpk= 2933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 568, 577, 281,
igr2= 306, 307, 308,
&end
#
# 20 VAL HN 19 ILE QG2 6.00 (# 2934:20 Unique 4.53, 5.02 A)
&rst
ixpk= 2934, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 306, 307, 308,
&end
#
# 32 TRP HE1 19 ILE QG2 4.50 (# 2935:20 Unique 2.64, 4.14 A)
&rst
ixpk= 2935, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 306, 307, 308,
&end
#
# 31 GLY HN 19 ILE QG2 4.50 (# 2937:20 Unique 2.62, 3.75 A)
&rst
ixpk= 2937, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 306, 307, 308,
&end
#
# 121 ALA HN 121 ALA MB 3.00 (# 2939:20 Unique 2.26, 2.89 A)
&rst
ixpk= 2939, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 0 AMB 20-2:2940 121 ALA MB 5.00 (# 2940:20 Single 0.00, 0.00 )
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1948, 42,
igr2=1918,1919,1920,
&end
#
# 14 ILE HN 14 ILE QG2 4.00 (# 2942:20 Unique 3.14, 4.10 A)
&rst
ixpk= 2942, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 224, 225, 226,
&end
#
# 15 GLU HN 14 ILE QG2 3.00 (# 2943:20 Unique 2.16, 3.46 A)
&rst
ixpk= 2943, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 224, 225, 226,
&end
#
# 19 ILE HN 14 ILE QG2 5.40 (# 2944:20 Unique 3.91, 5.91 A)
&rst
ixpk= 2944, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 224, 225, 226,
&end
#
# 32 TRP HE1 14 ILE QG2 5.00 (# 2948:20 Unique 2.17, 4.33 A)
&rst
ixpk= 2948, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 224, 225, 226,
&end
#
# 29 ALA HN 29 ALA MB 3.00 (# 2949:20 Unique 2.07, 2.88 A)
&rst
ixpk= 2949, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:2950 29 ALA MB 6.00 (# 2950:20 Single 0.00, 0.00 )
&rst
ixpk= 2950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 494,1287,1292,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:2951 29 ALA MB 6.00 (# 2951:20 Single 0.00, 0.00 )
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1285,1294, 528, 533,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:2952 29 ALA MB 5.00 (# 2952:20 Single 0.00, 0.00 )
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 436, 406,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:2954 105 VAL MGX 5.00 (# 2954:20 Single 0.00, 0.00 )
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1627,1646,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 106 ASP HN 105 VAL MGX 3.00 (# 2955:20 Unique 2.61, 4.12 A)
&rst
ixpk= 2955, nxpk= 20, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:2956 105 VAL MGX 6.00 (# 2956:20 Single 0.00, 0.00 )
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1710, 706,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 110 GLN HN 105 VAL MGX 4.00 (# 2957:20 Unique 2.60, 4.40 A)
&rst
ixpk= 2957, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 105 VAL HN 105 VAL MGX 3.30 (# 2958:20 Unique 2.34, 3.31 A)
&rst
ixpk= 2958, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 97 LEU HN 80 VAL MGX 6.00 (# 2959:20 Unique 2.44, 4.34 A)
&rst
ixpk= 2959, nxpk= 20, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 112 ALA HN 112 ALA MB 3.00 (# 2960:20 Unique 2.06, 2.88 A)
&rst
ixpk= 2960, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1760,1761,1762,
&end
#
# 35 TYR HD+ 112 ALA MB 4.50 (# 2961:20 Unique 4.53, 8.55 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 577,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:2962 112 ALA MB 5.00 (# 2962:20 Single 0.00, 0.00 )
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 638,1807,
igr2=1760,1761,1762,
&end
#
# 80 VAL HN 80 VAL MGX 3.00 (# 2964:20 Unique 2.42, 3.61 A)
&rst
ixpk= 2964, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL HA 80 VAL MGX 4.00 (# 2965:20 Unique 2.03, 3.55 A)
&rst
ixpk= 2965, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 81 GLU HN 80 VAL MGX 5.00 (# 2966:20 Unique 2.89, 4.55 A)
&rst
ixpk= 2966, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 117 LEU HN 114 ALA MB 6.00 (# 2969:20 Unique 5.10, 5.55 A)
&rst
ixpk= 2969, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1789,1790,1791,
&end
#
# 110 GLN HE2- 114 ALA MB 4.00 (# 2970:20 Unique 1.92, 3.34 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1736,1737,
igr2=1789,1790,1791,
&end
#
# 115 ASP HN 114 ALA MB 3.50 (# 2971:20 Unique 2.42, 3.17 A)
&rst
ixpk= 2971, nxpk= 20, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1789,1790,1791,
&end
#
# 114 ALA HN 114 ALA MB 3.00 (# 2972:20 Unique 2.07, 2.88 A)
&rst
ixpk= 2972, nxpk= 20, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1789,1790,1791,
&end
#
# 113 ILE HN 114 ALA MB 5.00 (# 2973:20 Unique 4.69, 5.65 A)
&rst
ixpk= 2973, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1789,1790,1791,
&end
#
# 110 GLN HE2+ 114 ALA MB 4.00 (# 2974:20 Unique 1.92, 3.34 A)
&rst
ixpk= 2974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1736,1737,
igr2=1789,1790,1791,
&end
#
# 64 GLU HN 85 ILE QG2 3.00 (# 2975:20 Unique 2.47, 3.82 A)
&rst
ixpk= 2975, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1373,1374,1375,
&end
#
# 63 VAL HA 85 ILE QG2 4.00 (# 2976:20 Unique 2.89, 3.98 A)
&rst
ixpk= 2976, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1373,1374,1375,
&end
#
# 81 GLU HN 69 ALA MB 5.00 (# 2977:20 Unique 3.59, 5.35 A)
&rst
ixpk= 2977, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1137,1138,1139,
&end
#
# 69 ALA HN 69 ALA MB 3.00 (# 2978:20 Unique 2.08, 2.92 A)
&rst
ixpk= 2978, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1137,1138,1139,
&end
#
# 79 TYR HN 69 ALA MB 6.00 (# 2979:20 Unique 3.24, 5.76 A)
&rst
ixpk= 2979, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1137,1138,1139,
&end
#
# 79 TYR HD 69 ALA MB 6.00 (# 2980:20 Unique 2.52, 5.54 A)
&rst
ixpk= 2980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1285,1294,
igr2=1137,1138,1139,
&end
#
# 80 VAL HA 69 ALA MB 4.00 (# 2981:20 Unique 3.07, 4.81 A)
&rst
ixpk= 2981, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:2982 58 ILE QG2 3.00 (# 2982:20 Single 0.00, 0.00 )
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 977, 862,
igr2= 964, 965, 966,
&end
#
# 50 LYS HN 58 ILE QG2 4.00 (# 2983:20 Unique 2.73, 4.17 A)
&rst
ixpk= 2983, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 964, 965, 966,
&end
#
# 60 GLU HA 58 ILE QG2 6.00 (# 2984:20 Unique 3.80, 4.54 A)
&rst
ixpk= 2984, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 964, 965, 966,
&end
#
# 0 AMB 20-2:2985 63 VAL MGX 4.00 (# 2985:20 Single 0.00, 0.00 )
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 772,1074,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HN 63 VAL MGX 3.30 (# 2986:20 Unique 2.19, 3.56 A)
&rst
ixpk= 2986, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2987 63 VAL MGX 3.20 (# 2987:20 Single 0.00, 0.00 )
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1345,1059,1355,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HA 63 VAL MGX 3.00 (# 2988:20 Unique 1.97, 3.45 A)
&rst
ixpk= 2988, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 48 TRP HE3 63 VAL MGX 4.00 (# 2989:20 Unique 1.84, 3.62 A)
&rst
ixpk= 2989, nxpk= 20, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL HA 63 VAL MGX 6.00 (# 2991:20 Unique 4.15, 5.97 A)
&rst
ixpk= 2991, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 80 VAL HN 69 ALA MB 5.00 (# 2992:20 Unique 3.71, 5.70 A)
&rst
ixpk= 2992, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:2993 58 ILE QG2 5.00 (# 2993:20 Single 0.00, 0.00 )
&rst
ixpk= 2993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 796,1007,
igr2= 964, 965, 966,
&end
#
# 117 LEU HN 113 ILE QG2 5.00 (# 2994:20 Unique 4.00, 5.01 A)
&rst
ixpk= 2994, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1772,1773,1774,
&end
#
# 114 ALA HN 113 ILE QG2 4.00 (# 2995:20 Unique 2.66, 3.81 A)
&rst
ixpk= 2995, nxpk= 20, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1772,1773,1774,
&end
#
# 116 TRP HN 113 ILE QG2 6.00 (# 2996:20 Unique 5.07, 5.89 A)
&rst
ixpk= 2996, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1772,1773,1774,
&end
#
# 113 ILE HN 113 ILE QG2 4.00 (# 2997:20 Unique 4.35, 4.52 A)
&rst
ixpk= 2997, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1772,1773,1774,
&end
#
# 104 ASP HN 103 ILE QG2 3.00 (# 2998:20 Unique 1.92, 3.49 A)
&rst
ixpk= 2998, nxpk= 20, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1633,1634,1635,
&end
#
# 105 VAL HN 103 ILE QG2 6.00 (# 2999:20 Unique 4.63, 5.76 A)
&rst
ixpk= 2999, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:3000 103 ILE QG2 6.00 (# 3000:20 Single 0.00, 0.00 )
&rst
ixpk= 3000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 745, 746, 708, 752,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:3001 103 ILE QG2 6.00 (# 3001:20 Single 0.00, 0.00 )
&rst
ixpk= 3001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 750,1617,
igr2=1633,1634,1635,
&end
#
# 101 GLU HN 100 ILE QG2 3.00 (# 3002:20 Unique 2.41, 3.52 A)
&rst
ixpk= 3002, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1589,1590,1591,
&end
#
# 100 ILE HN 100 ILE QG2 4.00 (# 3003:20 Unique 2.62, 3.79 A)
&rst
ixpk= 3003, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1589,1590,1591,
&end
#
# 44 PHE HE+ 100 ILE QG2 5.00 (# 3004:20 Unique 3.08, 4.97 A)
&rst
ixpk= 3004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 716, 720,
igr2=1589,1590,1591,
&end
#
# 44 PHE HE- 100 ILE QG2 5.50 (# 3005:20 Unique 3.08, 4.97 A)
&rst
ixpk= 3005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 716, 720,
igr2=1589,1590,1591,
&end
#
# 0 AMB 20-2:3006 100 ILE QG2 3.00 (# 3006:20 Single 0.00, 0.00 )
&rst
ixpk= 3006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 745, 746,1585,
igr2=1589,1590,1591,
&end
#
# 45 MET HN 45 MET ME 6.00 (# 3008:20 Unique 5.16, 5.85 A)
&rst
ixpk= 3008, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 737, 738, 739,
&end
#
# 0 AMB 20-2:3009 45 MET ME 3.80 (# 3009:20 Single 0.00, 0.00 )
&rst
ixpk= 3009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1043, 743,
igr2= 737, 738, 739,
&end
#
# 48 TRP HN 45 MET ME 5.80 (# 3010:20 Unique 4.83, 5.26 A)
&rst
ixpk= 3010, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 737, 738, 739,
&end
#
# 0 AMB 20-2:3011 45 MET ME 6.00 (# 3011:20 Single 0.00, 0.00 )
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1059,1602,
igr2= 737, 738, 739,
&end
#
# 45 MET HA 45 MET ME 5.00 (# 3012:20 Unique 3.18, 4.34 A)
&rst
ixpk= 3012, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 737, 738, 739,
&end
#
# 36 LEU HN 68 MET ME 6.00 (# 3013:20 Unique 4.50, 6.32 A)
&rst
ixpk= 3013, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
&end
#
# 37 ASP HN 68 MET ME 5.00 (# 3014:20 Unique 3.08, 5.15 A)
&rst
ixpk= 3014, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1127,1128,1129,
&end
#
# 69 ALA HN 68 MET ME 4.00 (# 3015:20 Unique 2.98, 4.54 A)
&rst
ixpk= 3015, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1127,1128,1129,
&end
#
# 79 TYR HN 68 MET ME 3.50 (# 3016:20 Unique 1.80, 3.14 A)
&rst
ixpk= 3016, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1127,1128,1129,
&end
#
# 33 TYR HE- 68 MET ME 4.00 (# 3017:20 Unique 2.79, 4.93 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 528, 533,
igr2=1127,1128,1129,
&end
#
# 80 VAL HA 68 MET ME 5.00 (# 3018:20 Unique 4.05, 5.16 A)
&rst
ixpk= 3018, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1127,1128,1129,
&end
#
# 33 TYR HE+ 68 MET ME 6.00 (# 3019:20 Unique 2.79, 4.93 A)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 528, 533,
igr2=1127,1128,1129,
&end
#
# 14 ILE HN 14 ILE QD1 5.00 (# 3020:20 Unique 3.66, 5.08 A)
&rst
ixpk= 3020, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:3021 14 ILE QD1 5.00 (# 3021:20 Single 0.00, 0.00 )
&rst
ixpk= 3021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 237, 177,
igr2= 231, 232, 233,
&end
#
# 120 LEU HN 14 ILE QD1 7.00 (# 3022:20 Unique 6.80, 7.37 A)
&rst
ixpk= 3022, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 231, 232, 233,
&end
#
# 119 TRP HZ2 14 ILE QD1 6.00 (# 3025:20 Unique 6.67, 7.82 A)
&rst
ixpk= 3025, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 231, 232, 233,
&end
#
# 102 ALA HN 113 ILE QD1 5.00 (# 3027:20 Unique 3.48, 4.73 A)
&rst
ixpk= 3027, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1779,1780,1781,
&end
#
# 113 ILE HN 113 ILE QD1 4.00 (# 3028:20 Unique 2.49, 3.51 A)
&rst
ixpk= 3028, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1779,1780,1781,
&end
#
# 44 PHE HE- 113 ILE QD1 5.00 (# 3030:20 Unique 2.22, 4.34 A)
&rst
ixpk= 3030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 716, 720,
igr2=1779,1780,1781,
&end
#
# 35 TYR HD+ 18 ILE QG2 4.50 (# 3032:20 Unique 2.00, 4.92 A)
&rst
ixpk= 3032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 568, 577,
igr2= 287, 288, 289,
&end
#
# 19 ILE HN 18 ILE QG2 4.50 (# 3033:20 Unique 2.49, 3.81 A)
&rst
ixpk= 3033, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 287, 288, 289,
&end
#
# 0 AMB 20-2:3034 103 ILE QD1 4.00 (# 3034:20 Single 0.00, 0.00 )
&rst
ixpk= 3034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 743,1043,
igr2=1640,1641,1642,
&end
#
# 103 ILE HN 103 ILE QD1 4.00 (# 3035:20 Unique 2.23, 3.59 A)
&rst
ixpk= 3035, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1640,1641,1642,
&end
#
# 0 AMB 20-2:3037 103 ILE QD1 4.00 (# 3037:20 Single 0.00, 0.00 )
&rst
ixpk= 3037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 745, 746, 752,
igr2=1640,1641,1642,
&end
#
# 47 LYS HN 103 ILE QD1 3.50 (# 3038:20 Unique 1.99, 2.70 A)
&rst
ixpk= 3038, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1640,1641,1642,
&end
#
# 35 TYR HD- 18 ILE QD1 6.00 (# 3040:20 Unique 3.60, 6.58 A)
&rst
ixpk= 3040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 568, 577,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:3041 18 ILE QD1 4.00 (# 3041:20 Single 0.00, 0.00 )
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 568, 577, 281,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:3042 85 ILE QD1 4.00 (# 3042:20 Single 0.00, 0.00 )
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1059,1029,1345,
igr2=1380,1381,1382,
&end
#
# 85 ILE HN 85 ILE QD1 5.00 (# 3043:20 Unique 4.04, 4.36 A)
&rst
ixpk= 3043, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1380,1381,1382,
&end
#
# 63 VAL HA 85 ILE QD1 5.00 (# 3044:20 Unique 3.34, 4.20 A)
&rst
ixpk= 3044, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1380,1381,1382,
&end
#
# 19 ILE HN 19 ILE QD1 3.60 (# 3045:20 Unique 1.89, 3.12 A)
&rst
ixpk= 3045, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 313, 314, 315,
&end
#
# 32 TRP HN 19 ILE QD1 6.00 (# 3047:20 Unique 4.38, 5.81 A)
&rst
ixpk= 3047, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 313, 314, 315,
&end
#
# 32 TRP HE1 19 ILE QD1 4.00 (# 3048:20 Unique 1.93, 2.99 A)
&rst
ixpk= 3048, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:3050 58 ILE QD1 4.40 (# 3050:20 Single 0.00, 0.00 )
&rst
ixpk= 3050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 977, 862,
igr2= 971, 972, 973,
&end
#
# 0 AMB 20-2:3051 100 ILE QD1 6.00 (# 3051:20 Single 0.00, 0.00 )
&rst
ixpk= 3051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1583, 785,
igr2=1596,1597,1598,
&end
#
# 48 TRP HA 100 ILE QD1 4.50 (# 3052:20 Unique 1.89, 3.83 A)
&rst
ixpk= 3052, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1596,1597,1598,
&end
#
# 101 GLU HN 100 ILE QD1 4.50 (# 3053:20 Unique 2.18, 4.23 A)
&rst
ixpk= 3053, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1596,1597,1598,
&end
#
# 100 ILE HA 100 ILE QD1 4.00 (# 3054:20 Unique 2.34, 3.97 A)
&rst
ixpk= 3054, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1596,1597,1598,
&end
#
# 112 ALA MB 39 THR HB 4.50 (# 3055:20 Unique 3.06, 3.83 A)
&rst
ixpk= 3055, nxpk= 20, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1760,1761,1762,
&end
#
# 83 ALA MB 92 VAL HA 4.50 (# 3056:20 Unique 3.10, 3.97 A)
&rst
ixpk= 3056, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1349,1350,1351,
&end
#
# 92 VAL HB 92 VAL HA 4.00 (# 3057:20 Unique 2.23, 2.39 A)
&rst
ixpk= 3057, nxpk= 20, iat=1462,1460, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3058 92 VAL HA 3.00 (# 3058:20 Single 0.00, 0.00 )
&rst
ixpk= 3058, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 0 AMB 20-2:3059 92 VAL HA 5.00 (# 3059:20 Single 0.00, 0.00 )
&rst
ixpk= 3059, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1450,1451,1359,1360,
&end
#
# 83 ALA HA 92 VAL HA 3.00 (# 3060:20 Unique 1.87, 1.99 A)
&rst
ixpk= 3060, nxpk= 20, iat=1347,1460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 92 VAL HN 92 VAL HA 3.50 (# 3061:20 Unique 2.93, 2.94 A)
&rst
ixpk= 3061, nxpk= 20, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 TYR HN 92 VAL HA 2.80 (# 3062:20 Unique 2.16, 2.18 A)
&rst
ixpk= 3062, nxpk= 20, iat=1474,1460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:3063 92 VAL HA 5.00 (# 3063:20 Single 0.00, 0.00 )
&rst
ixpk= 3063, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1329,1059,
&end
#
# 0 AMB 20-2:3064 0 AMB 20-1:3064 3.00 (# 3064:20 Double 0.00, 0.00 )
&rst
ixpk= 3064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1448,1436,
&end
#
# 0 AMB 20-2:3065 0 AMB 20-1:3065 4.00 (# 3065:20 Double 0.00, 0.00 )
&rst
ixpk= 3065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1404,1405,1462,
igr2=1448,1436,
&end
#
# 0 AMB 20-2:3066 0 AMB 20-1:3066 4.30 (# 3066:20 Double 0.00, 0.00 )
&rst
ixpk= 3066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1349,1350,1351,1407,1408,
igr2=1436,1448,
&end
#
# 90 ASP HB+ 90 ASP HA 3.00 (# 3067:20 Unique 2.47, 2.77 A)
&rst
ixpk= 3067, nxpk= 20, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1438,1439,
&end
#
# 92 VAL HN 91 ASP HA 2.80 (# 3068:20 Unique 2.18, 2.20 A)
&rst
ixpk= 3068, nxpk= 20, iat=1458,1448, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 ASP HN 0 AMB 20-1:3069 3.00 (# 3069:20 Single 0.00, 0.00 )
&rst
ixpk= 3069, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1448,1436,
&end
#
# 90 ASP HN 90 ASP HA 3.50 (# 3070:20 Unique 2.83, 2.88 A)
&rst
ixpk= 3070, nxpk= 20, iat=1434,1436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 TYR HN 83 ALA HA 3.80 (# 3071:20 Unique 2.88, 3.25 A)
&rst
ixpk= 3071, nxpk= 20, iat=1474,1347, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 20-2:3072 83 ALA HA 2.80 (# 3072:20 Single 0.00, 0.00 )
&rst
ixpk= 3072, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1355,1345,
&end
#
# 70 PRO HB+ 70 PRO HD+ 4.50 (# 3076:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1150,1151,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:3077 100 ILE QD1 6.00 (# 3077:20 Single 0.00, 0.00 )
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 796,1007,
igr2=1596,1597,1598,
&end
#
# 82 VAL HB 100 ILE QD1 6.00 (# 3078:20 Unique 3.91, 5.30 A)
&rst
ixpk= 3078, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1596,1597,1598,
&end
#
# 100 ILE HB 100 ILE QD1 4.00 (# 3079:20 Unique 2.06, 3.20 A)
&rst
ixpk= 3079, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1596,1597,1598,
&end
#
# 35 TYR HN 18 ILE QG2 6.00 (# 3080:20 Unique 4.30, 5.28 A)
&rst
ixpk= 3080, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 287, 288, 289,
&end
#
# 79 TYR HN 78 MET HA 2.80 (# 3082:20 Unique 2.14, 2.18 A)
&rst
ixpk= 3082, nxpk= 20, iat=1277,1262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:3083 78 MET HA 4.60 (# 3083:20 Single 0.00, 0.00 )
&rst
ixpk= 3083, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1200,1201,1281,1282,1281,1282,
&end
#
# 78 MET ME 78 MET HA 4.00 (# 3084:20 Unique 1.89, 2.93 A)
&rst
ixpk= 3084, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1271,1272,1273,
&end
#
# 78 MET HB- 78 MET HA 3.50 (# 3085:20 Unique 2.23, 2.71 A)
&rst
ixpk= 3085, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1264,1265,
&end
#
# 8 GLU HN 7 ASP HA 4.50 (# 3086:20 Unique 2.44, 2.81 A)
&rst
ixpk= 3086, nxpk= 20, iat= 109, 99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ASP HN 7 ASP HA 5.00 (# 3087:20 Unique 2.74, 2.83 A)
&rst
ixpk= 3087, nxpk= 20, iat= 97, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:3089 7 ASP HA 4.00 (# 3089:20 Single 0.00, 0.00 )
&rst
ixpk= 3089, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 101, 102, 101, 102, 116, 117,
&end
#
# 5 GLU HB+ 7 ASP HA 7.00 (# 3090:20 Unique 4.72, 5.76 A)
&rst
ixpk= 3090, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 62, 63,
&end
#
# 61 LYS HN 60 GLU HA 2.80 (# 3091:20 Unique 2.14, 2.17 A)
&rst
ixpk= 3091, nxpk= 20, iat=1007, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LYS HN 60 GLU HA 4.00 (# 3092:20 Unique 2.82, 3.12 A)
&rst
ixpk= 3092, nxpk= 20, iat= 818, 994, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 GLU HN 60 GLU HA 4.00 (# 3093:20 Unique 2.84, 2.86 A)
&rst
ixpk= 3093, nxpk= 20, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 GLU HB+ 60 GLU HA 3.00 (# 3094:20 Unique 2.43, 2.77 A)
&rst
ixpk= 3094, nxpk= 20, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 996, 997,
&end
#
# 0 AMB 20-2:3095 0 AMB 20-1:3095 3.00 (# 3095:20 Double 0.00, 0.00 )
&rst
ixpk= 3095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2002,2003,1478,1479,
igr2=1228,1476,
&end
#
# 93 TYR HB- 93 TYR HA 3.00 (# 3096:20 Unique 2.23, 2.63 A)
&rst
ixpk= 3096, nxpk= 20, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1478,1479,
&end
#
# 76 LYS HB+ 76 LYS HA 3.00 (# 3097:20 Unique 2.27, 2.61 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1230,1231,
&end
#
# 0 AMB 20-2:3098 0 AMB 20-1:3098 4.00 (# 3098:20 Double 0.00, 0.00 )
&rst
ixpk= 3098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1236,1237,1462,1211,1212,
igr2=1228,1476,
&end
#
# 76 LYS HG+ 76 LYS HA 4.00 (# 3099:20 Unique 2.59, 3.32 A)
&rst
ixpk= 3099, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1233,1234,
&end
#
# 0 AMB 20-2:3100 93 TYR HA 6.00 (# 3100:20 Single 0.00, 0.00 )
&rst
ixpk= 3100, nxpk= 20, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 93 TYR HD- 93 TYR HA 3.80 (# 3101:20 Unique 2.30, 3.72 A)
&rst
ixpk= 3101, nxpk= 20, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1482,1491,
&end
#
# 93 TYR HD+ 93 TYR HA 4.00 (# 3102:20 Unique 2.30, 3.72 A)
&rst
ixpk= 3102, nxpk= 20, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1482,1491,
&end
#
# 93 TYR HN 93 TYR HA 3.50 (# 3103:20 Unique 2.94, 2.95 A)
&rst
ixpk= 3103, nxpk= 20, iat=1474,1476, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 LYS HN 76 LYS HA 3.50 (# 3104:20 Unique 2.80, 2.88 A)
&rst
ixpk= 3104, nxpk= 20, iat=1226,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 THR HN 93 TYR HA 3.00 (# 3105:20 Unique 2.21, 2.45 A)
&rst
ixpk= 3105, nxpk= 20, iat=1495,1476, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 84 ASP HB- 84 ASP HA 3.00 (# 3106:20 Unique 2.24, 2.64 A)
&rst
ixpk= 3106, nxpk= 20, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1359,1360,
&end
#
# 85 ILE HN 84 ASP HA 2.80 (# 3107:20 Unique 2.18, 2.20 A)
&rst
ixpk= 3107, nxpk= 20, iat=1367,1357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:3108 84 ASP HA 3.00 (# 3108:20 Single 0.00, 0.00 )
&rst
ixpk= 3108, nxpk= 20, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1355,1386,1059,
&end
#
# 0 AMB 20-2:3109 57 THR HB 4.00 (# 3109:20 Single 0.00, 0.00 )
&rst
ixpk= 3109, nxpk= 20, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 946, 923,
&end
#
# 81 GLU HN 80 VAL HA 2.80 (# 3111:20 Unique 2.19, 2.27 A)
&rst
ixpk= 3111, nxpk= 20, iat=1314,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 ALA HN 80 VAL HA 3.50 (# 3112:20 Unique 1.89, 2.72 A)
&rst
ixpk= 3112, nxpk= 20, iat=1133,1300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 VAL MGY 80 VAL HA 4.00 (# 3113:20 Unique 2.03, 3.55 A)
&rst
ixpk= 3113, nxpk= 20, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL HB 80 VAL HA 4.00 (# 3114:20 Unique 2.26, 2.35 A)
&rst
ixpk= 3114, nxpk= 20, iat=1302,1300, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 PHE HD+ 43 PRO HA 5.00 (# 3116:20 Unique 2.76, 4.47 A)
&rst
ixpk= 3116, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 680, 688,
&end
#
# 42 PHE HN 43 PRO HA 5.00 (# 3117:20 Unique 4.51, 4.64 A)
&rst
ixpk= 3117, nxpk= 20, iat= 672, 702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 THR HN 94 THR HA 3.50 (# 3118:20 Unique 2.93, 2.95 A)
&rst
ixpk= 3118, nxpk= 20, iat=1495,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 VAL HN 94 THR HA 3.80 (# 3119:20 Unique 2.97, 3.20 A)
&rst
ixpk= 3119, nxpk= 20, iat=1329,1497, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 95 ALA HN 94 THR HA 2.80 (# 3120:20 Unique 2.14, 2.15 A)
&rst
ixpk= 3120, nxpk= 20, iat=1509,1497, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 VAL HN 44 PHE HA 5.00 (# 3122:20 Unique 4.15, 4.38 A)
&rst
ixpk= 3122, nxpk= 20, iat=1074, 708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:3124 94 THR HA 5.00 (# 3124:20 Single 0.00, 0.00 )
&rst
ixpk= 3124, nxpk= 20, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1511,1118,
&end
#
# 81 GLU HA 94 THR HA 3.00 (# 3125:20 Unique 2.15, 2.52 A)
&rst
ixpk= 3125, nxpk= 20, iat=1316,1497, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 ILE HG1- 19 ILE QD1 3.00 (# 3126:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 310, 311,
igr2= 313, 314, 315,
&end
#
# 43 PRO HA 43 PRO HD- 4.50 (# 3130:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3130, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 693, 694,
&end
#
# 25 LYS HN 24 ASP HA 2.80 (# 3131:20 Unique 2.30, 2.36 A)
&rst
ixpk= 3131, nxpk= 20, iat= 384, 374, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 ASP HN 24 ASP HA 3.50 (# 3132:20 Unique 2.89, 2.89 A)
&rst
ixpk= 3132, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ASP HB+ 24 ASP HA 3.00 (# 3133:20 Unique 2.36, 2.83 A)
&rst
ixpk= 3133, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 376, 377,
&end
#
# 24 ASP HB- 24 ASP HA 3.00 (# 3134:20 Unique 2.36, 2.83 A)
&rst
ixpk= 3134, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 376, 377,
&end
#
# 0 AMB 20-2:3135 24 ASP HA 4.60 (# 3135:20 Single 0.00, 0.00 )
&rst
ixpk= 3135, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 361, 362, 425, 426,
&end
#
# 0 AMB 20-2:3136 24 ASP HA 5.60 (# 3136:20 Single 0.00, 0.00 )
&rst
ixpk= 3136, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 361, 362, 388, 389,
&end
#
# 0 AMB 20-2:3137 24 ASP HA 5.00 (# 3137:20 Single 0.00, 0.00 )
&rst
ixpk= 3137, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 394, 395, 391, 392,
&end
#
# 115 ASP HN 112 ALA HA 4.00 (# 3143:20 Unique 3.54, 3.89 A)
&rst
ixpk= 3143, nxpk= 20, iat=1795,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ALA MB 112 ALA HA 3.00 (# 3145:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3145, nxpk= 20, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1760,1761,1762,
&end
#
# 0 AMB 20-2:3146 112 ALA HA 4.00 (# 3146:20 Single 0.00, 0.00 )
&rst
ixpk= 3146, nxpk= 20, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 0 AMB 20-2:3147 112 ALA HA 5.00 (# 3147:20 Single 0.00, 0.00 )
&rst
ixpk= 3147, nxpk= 20, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 647, 648, 649, 651, 652, 653,1776,1777,
&end
#
# 124 TYR HB+ 124 TYR HA 4.00 (# 3148:20 Unique 2.27, 2.50 A)
&rst
ixpk= 3148, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1959,1960,
&end
#
# 3 SER HA 2 ALA MB 6.00 (# 3150:20 Unique 3.79, 4.79 A)
&rst
ixpk= 3150, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 25, 26, 27,
&end
#
# 3 SER HA 3 SER HB- 3.00 (# 3152:20 Unique 2.32, 2.62 A)
&rst
ixpk= 3152, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 35, 36,
&end
#
# 59 GLU HB- 52 SER HB+ 7.50 (# 3153:20 Unique 3.11, 6.16 A)
&rst
ixpk= 3153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1= 981, 982,
igr2= 866, 867,
&end
#
# 25 LYS HB+ 25 LYS HA 3.00 (# 3155:20 Unique 2.36, 2.45 A)
&rst
ixpk= 3155, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 388, 389,
&end
#
# 0 AMB 20-2:3156 4 VAL MGX 4.00 (# 3156:20 Single 0.00, 0.00 )
&rst
ixpk= 3156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1926,1875,1876,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 0 AMB 20-2:3157 20 VAL MGX 6.50 (# 3157:20 Single 0.00, 0.00 )
&rst
ixpk= 3157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 268, 337,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 3 SER HA 3 SER HB- 3.00 (# 3164:20 Unique 2.32, 2.62 A)
&rst
ixpk= 3164, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 35, 36,
&end
#
# 93 TYR HN 92 VAL MGX 4.30 (# 3165:20 Unique 2.31, 4.33 A)
&rst
ixpk= 3165, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 82 VAL HN 92 VAL MGX 5.00 (# 3166:20 Unique 2.94, 5.40 A)
&rst
ixpk= 3166, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 0 AMB 20-2:3167 20 VAL MGY 6.50 (# 3167:20 Single 0.00, 0.00 )
&rst
ixpk= 3167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 268, 337,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 22 ALA HN 20 VAL MGY 8.00 (# 3168:20 Unique 3.47, 5.71 A)
&rst
ixpk= 3168, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 84 ASP HA 63 VAL MGY 4.00 (# 3169:20 Unique 1.75, 4.20 A)
&rst
ixpk= 3169, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 42 PHE HD+ 65 VAL MGY 7.00 (# 3170:20 Unique 1.96, 6.75 A)
&rst
ixpk= 3170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 680, 688,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:3171 105 VAL MGX 5.00 (# 3171:20 Single 0.00, 0.00 )
&rst
ixpk= 3171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1629,1688,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 82 VAL MGX 80 VAL MGX 4.00 (# 3172:20 Unique 1.95, 6.39 A)
&rst
ixpk= 3172, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 20-2:3173 80 VAL MGX 5.00 (# 3173:20 Single 0.00, 0.00 )
&rst
ixpk= 3173, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 642, 643,1593,1594,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 82 VAL HB 80 VAL MGX 5.00 (# 3174:20 Unique 3.07, 6.04 A)
&rst
ixpk= 3174, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 79 TYR HA 80 VAL MGX 5.00 (# 3175:20 Unique 3.08, 4.69 A)
&rst
ixpk= 3175, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 95 ALA HN 80 VAL MGX 4.00 (# 3176:20 Unique 2.71, 4.84 A)
&rst
ixpk= 3176, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 66 LEU HN 82 VAL MGX 6.00 (# 3177:20 Unique 2.77, 5.50 A)
&rst
ixpk= 3177, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:3178 105 VAL MGY 5.60 (# 3178:20 Single 0.00, 0.00 )
&rst
ixpk= 3178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
igr1=1627,1646,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 23 GLU HB- 22 ALA HA 5.60 (# 3179:20 Unique 4.60, 5.26 A)
&rst
ixpk= 3179, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 361, 362,
&end
#
# 27 GLU HB+ 22 ALA MB 3.60 (# 3180:20 Unique 1.88, 3.19 A)
&rst
ixpk= 3180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 425, 426,
igr2= 351, 352, 353,
&end
#
# 102 ALA HA 102 ALA MB 3.00 (# 3181:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3181, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1621,1622,1623,
&end
#
# 32 TRP HB+ 29 ALA HA 4.00 (# 3183:20 Unique 2.57, 3.43 A)
&rst
ixpk= 3183, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 498, 499,
&end
#
# 92 VAL HA 83 ALA HA 2.80 (# 3184:20 Unique 1.87, 1.99 A)
&rst
ixpk= 3184, nxpk= 20, iat=1460,1347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 95 ALA HN 95 ALA MB 3.00 (# 3185:20 Unique 3.14, 3.69 A)
&rst
ixpk= 3185, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1513,1514,1515,
&end
#
# 0 AMB 20-2:3186 112 ALA HA 4.00 (# 3186:20 Single 0.00, 0.00 )
&rst
ixpk= 3186, nxpk= 20, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 570, 575,1766,
&end
#
# 112 ALA HA 112 ALA MB 3.00 (# 3187:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3187, nxpk= 20, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:3188 114 ALA HA 3.00 (# 3188:20 Single 0.00, 0.00 )
&rst
ixpk= 3188, nxpk= 20, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1785,1850,
&end
#
# 58 ILE HA 58 ILE QD1 4.00 (# 3189:20 Unique 2.17, 3.37 A)
&rst
ixpk= 3189, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 971, 972, 973,
&end
#
# 85 ILE HN 85 ILE QG2 3.00 (# 3190:20 Unique 2.69, 3.41 A)
&rst
ixpk= 3190, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1373,1374,1375,
&end
#
# 45 MET ME 85 ILE QD1 3.00 (# 3192:20 Unique 1.99, 4.58 A)
&rst
ixpk= 3192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 737, 738, 739,
igr2=1380,1381,1382,
&end
#
# 63 VAL HN 85 ILE QD1 5.00 (# 3193:20 Unique 2.90, 4.44 A)
&rst
ixpk= 3193, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1380,1381,1382,
&end
#
# 36 LEU HN 36 LEU HA 3.50 (# 3194:20 Unique 2.79, 2.82 A)
&rst
ixpk= 3194, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU MDX 75 LEU HB- 3.80 (# 3195:20 Unique 2.25, 3.28 A)
&rst
ixpk= 3195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1216,1217,1218,1220,1221,1222,
igr2=1211,1212,
&end
#
# 117 LEU HA 120 LEU HB+ 4.00 (# 3196:20 Unique 2.22, 3.68 A)
&rst
ixpk= 3196, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1899,1900,
&end
#
# 113 ILE HN 40 LEU MDX 5.00 (# 3197:20 Unique 2.44, 4.76 A)
&rst
ixpk= 3197, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 38 ASP HB+ 38 ASP HA 3.00 (# 3198:20 Unique 2.38, 2.75 A)
&rst
ixpk= 3198, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 616, 617,
&end
#
# 33 TYR HN 78 MET ME 3.00 (# 3199:20 Unique 1.86, 3.27 A)
&rst
ixpk= 3199, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1271,1272,1273,
&end
#
# 27 GLU HA 30 MET HB+ 4.00 (# 3200:20 Unique 2.20, 3.27 A)
&rst
ixpk= 3200, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 474, 475,
&end
#
# 27 GLU HA 30 MET HB- 4.00 (# 3201:20 Unique 2.20, 3.27 A)
&rst
ixpk= 3201, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 474, 475,
&end
#
# 0 AMB 20-2:3202 45 MET ME 5.00 (# 3202:20 Single 0.00, 0.00 )
&rst
ixpk= 3202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,
igr1=1049,1050,1051,1053,1054,1055,1373,1374,1375,
igr2= 737, 738, 739,
&end
#
# 75 LEU MDX 26 GLU HA 4.00 (# 3203:20 Unique 2.66, 4.89 A)
&rst
ixpk= 3203, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 10 ARG HN 9 THR HA 4.00 (# 3204:20 Unique 3.24, 3.30 A)
&rst
ixpk= 3204, nxpk= 20, iat= 138, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 ARG HN 10 ARG HB+ 4.00 (# 3205:20 Unique 2.31, 2.79 A)
&rst
ixpk= 3205, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 142, 143,
&end
#
# 12 HIS HN 11 GLU HG+ 4.50 (# 3206:20 Unique 2.52, 4.10 A)
&rst
ixpk= 3206, nxpk= 20, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 169, 170,
&end
#
# 66 LEU HN 67 GLY HA+ 5.00 (# 3207:20 Unique 4.55, 4.81 A)
&rst
ixpk= 3207, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1111,1112,
&end
#
# 15 GLU HB- 14 ILE HA 6.00 (# 3208:20 Unique 5.57, 5.85 A)
&rst
ixpk= 3208, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 241, 242,
&end
#
# 0 AMB 20-2:3209 14 ILE HA 3.50 (# 3209:20 Single 0.00, 0.00 )
&rst
ixpk= 3209, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 222, 273, 274,
&end
#
# 14 ILE HN 14 ILE HA 4.00 (# 3210:20 Unique 2.69, 2.70 A)
&rst
ixpk= 3210, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE HN 14 ILE HG1- 4.50 (# 3211:20 Unique 2.61, 3.78 A)
&rst
ixpk= 3211, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 228, 229,
&end
#
# 0 AMB 20-2:3212 27 GLU HA 4.00 (# 3212:20 Single 0.00, 0.00 )
&rst
ixpk= 3212, nxpk= 20, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 436, 406,
&end
#
# 19 ILE HN 18 ILE HA 4.00 (# 3215:20 Unique 3.42, 3.53 A)
&rst
ixpk= 3215, nxpk= 20, iat= 300, 283, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 GLU HN 18 ILE HA 5.00 (# 3216:20 Unique 4.44, 4.50 A)
&rst
ixpk= 3216, nxpk= 20, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ILE HG1- 18 ILE HA 3.50 (# 3217:20 Unique 2.37, 2.75 A)
&rst
ixpk= 3217, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 291, 292,
&end
#
# 18 ILE QD1 18 ILE HA 5.20 (# 3218:20 Unique 2.32, 4.42 A)
&rst
ixpk= 3218, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 294, 295, 296,
&end
#
# 18 ILE QG2 19 ILE HA 5.20 (# 3223:20 Unique 3.22, 4.42 A)
&rst
ixpk= 3223, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 287, 288, 289,
&end
#
# 20 VAL HN 19 ILE HG1- 6.00 (# 3225:20 Unique 1.73, 3.06 A)
&rst
ixpk= 3225, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 310, 311,
&end
#
# 20 VAL HN 19 ILE HG1+ 6.00 (# 3226:20 Unique 1.73, 3.06 A)
&rst
ixpk= 3226, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 310, 311,
&end
#
# 32 TRP HN 19 ILE HG1- 6.50 (# 3227:20 Unique 4.19, 5.74 A)
&rst
ixpk= 3227, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 310, 311,
&end
#
# 21 ASP HN 21 ASP HB- 3.50 (# 3229:20 Unique 2.35, 2.76 A)
&rst
ixpk= 3229, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 339, 340,
&end
#
# 25 LYS HN 25 LYS HB+ 3.80 (# 3231:20 Unique 2.46, 3.09 A)
&rst
ixpk= 3231, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 388, 389,
&end
#
# 96 LYS HG+ 96 LYS HE+ 3.00 (# 3232:20 Unique 2.14, 3.37 A)
&rst
ixpk= 3232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1526,1527,
igr2=1532,1533,
&end
#
# 0 AMB 20-2:3233 0 AMB 20-1:3233 3.00 (# 3233:20 Double 0.00, 0.00 )
&rst
ixpk= 3233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1529,1530,1523,1524,
igr2=1532,1533,1532,1533,
&end
#
# 27 GLU HN 26 GLU HA 4.00 (# 3234:20 Unique 3.57, 3.57 A)
&rst
ixpk= 3234, nxpk= 20, iat= 421, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 MET HN 30 MET HA 3.50 (# 3238:20 Unique 2.79, 2.80 A)
&rst
ixpk= 3238, nxpk= 20, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 ALA HN 65 VAL HA 5.00 (# 3239:20 Unique 3.89, 4.34 A)
&rst
ixpk= 3239, nxpk= 20, iat=1345,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 35 TYR HD- 35 TYR HB+ 4.00 (# 3240:20 Unique 2.31, 3.05 A)
&rst
ixpk= 3240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 568, 577,
igr2= 564, 565,
&end
#
# 40 LEU HN 39 THR HB 4.00 (# 3241:20 Unique 2.05, 2.51 A)
&rst
ixpk= 3241, nxpk= 20, iat= 638, 628, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 THR HN 39 THR HB 4.00 (# 3242:20 Unique 2.30, 2.38 A)
&rst
ixpk= 3242, nxpk= 20, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 PHE HA 43 PRO HA 3.00 (# 3243:20 Unique 1.96, 2.05 A)
&rst
ixpk= 3243, nxpk= 20, iat= 674, 702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 GLU HG+ 16 THR HA 6.00 (# 3244:20 Unique 4.30, 5.21 A)
&rst
ixpk= 3244, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 273, 274,
&end
#
# 15 GLU HG- 16 THR HA 4.00 (# 3245:20 Unique 3.29, 3.65 A)
&rst
ixpk= 3245, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 244, 245,
&end
#
# 44 PHE HN 43 PRO HG- 5.50 (# 3246:20 Unique 4.56, 4.98 A)
&rst
ixpk= 3246, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 43 PRO HA 43 PRO HG+ 4.50 (# 3247:20 Unique 3.85, 3.94 A)
&rst
ixpk= 3247, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 696, 697,
&end
#
# 47 LYS HE+ 47 LYS HB- 4.40 (# 3248:20 Unique 2.79, 4.20 A)
&rst
ixpk= 3248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 763, 764,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:3249 52 SER HA 4.00 (# 3249:20 Single 0.00, 0.00 )
&rst
ixpk= 3249, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 862, 977,
&end
#
# 63 VAL HN 62 THR HA 2.80 (# 3250:20 Unique 2.14, 2.15 A)
&rst
ixpk= 3250, nxpk= 20, iat=1043,1031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HN 62 THR HA 4.00 (# 3251:20 Unique 3.43, 3.56 A)
&rst
ixpk= 3251, nxpk= 20, iat= 772,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 LYS HA 62 THR HA 3.50 (# 3252:20 Unique 2.68, 2.82 A)
&rst
ixpk= 3252, nxpk= 20, iat= 752,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 THR MG2 62 THR HA 3.00 (# 3254:20 Unique 2.34, 2.97 A)
&rst
ixpk= 3254, nxpk= 20, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1035,1036,1037,
&end
#
# 0 AMB 20-2:3255 0 AMB 20-1:3255 4.10 (# 3255:20 Double 0.00, 0.00 )
&rst
ixpk= 3255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1181, 252,
igr2=1188,1189, 273, 274,
&end
#
# 81 GLU HN 81 GLU HA 3.50 (# 3257:20 Unique 2.87, 2.89 A)
&rst
ixpk= 3257, nxpk= 20, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 VAL HN 81 GLU HA 4.00 (# 3258:20 Unique 2.14, 2.16 A)
&rst
ixpk= 3258, nxpk= 20, iat=1329,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3259 0 AMB 20-1:3259 4.00 (# 3259:20 Double 0.00, 0.00 )
&rst
ixpk= 3259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1367,1541,1434,
igr2=1359,1360,1281,1282,
&end
#
# 0 AMB 20-2:3260 0 AMB 20-1:3260 3.00 (# 3260:20 Double 0.00, 0.00 )
&rst
ixpk= 3260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1674,1698,
igr2=1678,1679,1678,1679,
&end
#
# 0 AMB 20-2:3261 106 ASP HB- 3.00 (# 3261:20 Single 0.00, 0.00 )
&rst
ixpk= 3261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1674,1698,
igr2=1678,1679,
&end
#
# 89 ASP HB- 89 ASP HA 3.00 (# 3262:20 Unique 2.34, 2.76 A)
&rst
ixpk= 3262, nxpk= 20, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1426,1427,
&end
#
# 0 AMB 20-2:3263 0 AMB 20-1:3263 3.00 (# 3263:20 Double 0.00, 0.00 )
&rst
ixpk= 3263, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1426,1427, 339, 340,
igr2=1424, 337,
&end
#
# 21 ASP HB+ 21 ASP HA 3.00 (# 3264:20 Unique 2.38, 2.75 A)
&rst
ixpk= 3264, nxpk= 20, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 339, 340,
&end
#
# 92 VAL HN 91 ASP HB- 3.10 (# 3265:20 Unique 2.82, 3.61 A)
&rst
ixpk= 3265, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1450,1451,
&end
#
# 93 TYR HA 94 THR HB 5.50 (# 3266:20 Unique 5.03, 5.14 A)
&rst
ixpk= 3266, nxpk= 20, iat=1476,1499, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA HN 94 THR HB 4.50 (# 3267:20 Unique 3.92, 4.03 A)
&rst
ixpk= 3267, nxpk= 20, iat=1509,1499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 ALA HN 94 THR MG2 3.50 (# 3268:20 Unique 3.06, 4.00 A)
&rst
ixpk= 3268, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1501,1502,1503,
&end
#
# 98 SER HN 98 SER HA 3.50 (# 3269:20 Unique 2.81, 2.85 A)
&rst
ixpk= 3269, nxpk= 20, iat=1560,1562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 LYS HN 101 GLU HB+ 4.00 (# 3270:20 Unique 1.82, 3.03 A)
&rst
ixpk= 3270, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1606,1607,
&end
#
# 47 LYS HN 101 GLU HB- 3.00 (# 3271:20 Unique 1.82, 3.03 A)
&rst
ixpk= 3271, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1606,1607,
&end
#
# 23 GLU HN 23 GLU HB- 4.40 (# 3272:20 Unique 2.59, 3.25 A)
&rst
ixpk= 3272, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 361, 362,
&end
#
# 101 GLU HN 101 GLU HG+ 4.00 (# 3273:20 Unique 4.19, 4.62 A)
&rst
ixpk= 3273, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1609,1610,
&end
#
# 120 LEU HN 119 TRP HB+ 4.50 (# 3274:20 Unique 3.05, 3.85 A)
&rst
ixpk= 3274, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1875,1876,
&end
#
# 120 LEU HN 119 TRP HB- 4.50 (# 3275:20 Unique 3.05, 3.85 A)
&rst
ixpk= 3275, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1875,1876,
&end
#
# 66 LEU MDX 43 PRO HA 6.00 (# 3276:20 Unique 4.39, 6.69 A)
&rst
ixpk= 3276, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1099,1100,1101,1103,1104,1105,
&end
#
# 102 ALA HA 46 GLY HA- 3.50 (# 3278:20 Unique 2.17, 2.94 A)
&rst
ixpk= 3278, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 746,
&end
#
# 107 ASP HB- 107 ASP HA 3.00 (# 3279:20 Unique 2.41, 2.78 A)
&rst
ixpk= 3279, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1690,1691,
&end
#
# 107 ASP HB- 106 ASP HA 5.00 (# 3280:20 Unique 4.55, 5.49 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1690,1691,
&end
#
# 62 THR HB 62 THR MG2 3.00 (# 3281:20 Unique 2.24, 2.64 A)
&rst
ixpk= 3281, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1035,1036,1037,
&end
#
# 30 MET HA 78 MET ME 6.00 (# 3283:20 Unique 4.71, 5.81 A)
&rst
ixpk= 3283, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:3284 109 THR HA 5.00 (# 3284:20 Single 0.00, 0.00 )
&rst
ixpk= 3284, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1776,1777,1728,1729,
&end
#
# 40 LEU MDX 109 THR HA 5.00 (# 3285:20 Unique 1.91, 4.31 A)
&rst
ixpk= 3285, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:3288 31 GLY HA- 6.00 (# 3288:20 Single 0.00, 0.00 )
&rst
ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 564, 565, 498, 499,
igr2= 489, 490,
&end
#
# 38 ASP HA 38 ASP HB- 3.00 (# 3289:20 Unique 2.38, 2.75 A)
&rst
ixpk= 3289, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 616, 617,
&end
#
# 0 AMB 20-2:3290 0 AMB 20-1:3290 6.00 (# 3290:20 Double 0.00, 0.00 )
&rst
ixpk= 3290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1= 714, 722, 680, 688,
igr2= 642, 643, 642, 643,
&end
#
# 41 GLU HN 40 LEU HB- 4.20 (# 3292:20 Unique 2.56, 3.49 A)
&rst
ixpk= 3292, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 642, 643,
&end
#
# 42 PHE HD+ 40 LEU HB- 6.50 (# 3293:20 Unique 2.73, 5.05 A)
&rst
ixpk= 3293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 680, 688,
igr2= 642, 643,
&end
#
# 36 LEU HN 35 TYR HB+ 6.00 (# 3296:20 Unique 2.68, 3.58 A)
&rst
ixpk= 3296, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 564, 565,
&end
#
# 118 TYR HA 118 TYR HB+ 3.00 (# 3297:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3297, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1854,1855,
&end
#
# 118 TYR HA 118 TYR HB- 3.00 (# 3300:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3300, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1854,1855,
&end
#
# 108 ASP HA 108 ASP HB+ 3.50 (# 3301:20 Unique 2.32, 2.81 A)
&rst
ixpk= 3301, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1702,1703,
&end
#
# 17 GLU HB- 18 ILE QD1 5.00 (# 3302:20 Unique 4.01, 5.80 A)
&rst
ixpk= 3302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 270, 271,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:3303 18 ILE QG2 6.00 (# 3303:20 Single 0.00, 0.00 )
&rst
ixpk= 3303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 585, 586, 270, 271,
igr2= 287, 288, 289,
&end
#
# 114 ALA HN 113 ILE QD1 5.50 (# 3304:20 Unique 4.00, 4.95 A)
&rst
ixpk= 3304, nxpk= 20, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1779,1780,1781,
&end
#
# 102 ALA HA 103 ILE QD1 5.50 (# 3305:20 Unique 3.26, 4.71 A)
&rst
ixpk= 3305, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1640,1641,1642,
&end
#
# 85 ILE HA 85 ILE QD1 4.50 (# 3306:20 Unique 4.61, 5.08 A)
&rst
ixpk= 3306, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1380,1381,1382,
&end
#
# 15 GLU HA 19 ILE QD1 3.50 (# 3307:20 Unique 1.84, 2.77 A)
&rst
ixpk= 3307, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:3308 19 ILE QD1 3.00 (# 3308:20 Single 0.00, 0.00 )
&rst
ixpk= 3308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 285, 224, 225, 226,
igr2= 313, 314, 315,
&end
#
# 125 LYS HA 125 LYS HB+ 3.00 (# 3311:20 Unique 2.37, 2.69 A)
&rst
ixpk= 3311, nxpk= 20, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1980,1981,
&end
#
# 125 LYS HA 125 LYS HB- 3.00 (# 3312:20 Unique 2.37, 2.69 A)
&rst
ixpk= 3312, nxpk= 20, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1980,1981,
&end
#
# 125 LYS HA 125 LYS HG+ 4.00 (# 3314:20 Unique 2.57, 3.31 A)
&rst
ixpk= 3314, nxpk= 20, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1983,1984,
&end
#
# 124 TYR HA 125 LYS HG+ 6.50 (# 3315:20 Unique 3.52, 5.21 A)
&rst
ixpk= 3315, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1983,1984,
&end
#
# 125 LYS HB+ 125 LYS HG+ 3.00 (# 3316:20 Unique 2.21, 2.63 A)
&rst
ixpk= 3316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1980,1981,
igr2=1983,1984,
&end
#
# 0 AMB 20-2:3317 0 AMB 20-1:3317 3.00 (# 3317:20 Double 0.00, 0.00 )
&rst
ixpk= 3317, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1980,1981,1986,1987,
igr2=1983,1984,1983,1984,
&end
#
# 124 TYR HA 124 TYR HB+ 4.00 (# 3318:20 Unique 2.27, 2.50 A)
&rst
ixpk= 3318, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1959,1960,
&end
#
# 124 TYR HA 124 TYR HB- 5.00 (# 3319:20 Unique 2.27, 2.50 A)
&rst
ixpk= 3319, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1959,1960,
&end
#
# 122 ARG HN 121 ALA MB 3.00 (# 3320:20 Unique 2.35, 3.41 A)
&rst
ixpk= 3320, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 109 THR HA 112 ALA MB 3.00 (# 3321:20 Unique 2.69, 3.81 A)
&rst
ixpk= 3321, nxpk= 20, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1760,1761,1762,
&end
#
# 75 LEU HG 75 LEU HB+ 3.00 (# 3323:20 Unique 2.40, 2.73 A)
&rst
ixpk= 3323, nxpk= 20, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 98 SER HB+ 120 LEU MDY 4.00 (# 3324:20 Unique 2.92, 5.40 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1564,1565,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 120 LEU HB- 120 LEU MDY 3.00 (# 3325:20 Unique 1.92, 3.27 A)
&rst
ixpk= 3325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:3328 0 AMB 20-1:3328 5.00 (# 3328:20 Double 0.00, 0.00 )
&rst
ixpk= 3328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1809,1619, 614,
igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
1845,1846,1049,1050,1051,1053,1054,1055, 630, 631,
632,
&end
#
# 92 VAL HA 83 ALA MB 4.00 (# 3329:20 Unique 3.10, 3.97 A)
&rst
ixpk= 3329, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1349,1350,1351,
&end
#
# 117 LEU HN 116 TRP HB+ 4.20 (# 3330:20 Unique 2.25, 3.28 A)
&rst
ixpk= 3330, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1811,1812,
&end
#
# 97 LEU HG 116 TRP HB+ 5.00 (# 3331:20 Unique 3.75, 4.48 A)
&rst
ixpk= 3331, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1811,1812,
&end
#
# 78 MET HG- 116 TRP HB- 5.00 (# 3332:20 Unique 2.86, 4.79 A)
&rst
ixpk= 3332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1267,1268,
igr2=1811,1812,
&end
#
# 113 ILE HA 113 ILE HG1- 3.50 (# 3333:20 Unique 2.16, 2.73 A)
&rst
ixpk= 3333, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 111 GLU HA 111 GLU HG+ 3.00 (# 3334:20 Unique 2.51, 3.16 A)
&rst
ixpk= 3334, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1748,1749,
&end
#
# 0 AMB 20-2:3335 0 AMB 20-1:3335 4.60 (# 3335:20 Double 0.00, 0.00 )
&rst
ixpk= 3335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 349, 44,
igr2= 364, 365, 65, 66,
&end
#
# 110 GLN HB- 110 GLN HA 3.00 (# 3336:20 Unique 2.58, 2.81 A)
&rst
ixpk= 3336, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 105 VAL HB 109 THR HB 4.50 (# 3337:20 Unique 1.96, 2.17 A)
&rst
ixpk= 3337, nxpk= 20, iat=1662,1714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3338 109 THR HB 4.50 (# 3338:20 Single 0.00, 0.00 )
&rst
ixpk= 3338, nxpk= 20, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
&end
#
# 109 THR MG2 109 THR HB 3.00 (# 3339:20 Unique 2.23, 2.64 A)
&rst
ixpk= 3339, nxpk= 20, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1716,1717,1718,
&end
#
# 111 GLU HB+ 108 ASP HA 4.00 (# 3340:20 Unique 2.84, 3.66 A)
&rst
ixpk= 3340, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1745,1746,
&end
#
# 0 AMB 20-2:3341 0 AMB 20-1:3341 3.00 (# 3341:20 Double 0.00, 0.00 )
&rst
ixpk= 3341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1123,1124,1702,1703,
igr2= 602,1700,
&end
#
# 109 THR HN 108 ASP HB+ 3.50 (# 3342:20 Unique 2.52, 2.89 A)
&rst
ixpk= 3342, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1702,1703,
&end
#
# 47 LYS HG+ 103 ILE QD1 4.00 (# 3343:20 Unique 2.18, 4.28 A)
&rst
ixpk= 3343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 757, 758,
igr2=1640,1641,1642,
&end
#
# 104 ASP HA 103 ILE QG2 4.00 (# 3344:20 Unique 3.80, 4.79 A)
&rst
ixpk= 3344, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1633,1634,1635,
&end
#
# 47 LYS HN 101 GLU HB+ 4.00 (# 3345:20 Unique 1.82, 3.03 A)
&rst
ixpk= 3345, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1606,1607,
&end
#
# 101 GLU HG+ 101 GLU HB+ 3.00 (# 3346:20 Unique 2.33, 2.56 A)
&rst
ixpk= 3346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1609,1610,
igr2=1606,1607,
&end
#
# 23 GLU HN 23 GLU HG+ 3.60 (# 3348:20 Unique 2.87, 3.36 A)
&rst
ixpk= 3348, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 364, 365,
&end
#
# 0 AMB 20-2:3349 0 AMB 20-1:3349 5.00 (# 3349:20 Double 0.00, 0.00 )
&rst
ixpk= 3349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1564,1565,1564,1565,
&end
#
# 0 AMB 20-2:3350 0 AMB 20-1:3350 6.00 (# 3350:20 Double 0.00, 0.00 )
&rst
ixpk= 3350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
1309,1310,
igr2=1564,1565,1564,1565,
&end
#
# 97 LEU HN 97 LEU HA 3.50 (# 3351:20 Unique 2.68, 2.71 A)
&rst
ixpk= 3351, nxpk= 20, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 LEU HN 97 LEU HB+ 3.50 (# 3352:20 Unique 2.20, 2.98 A)
&rst
ixpk= 3352, nxpk= 20, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,
&end
#
# 97 LEU HA 97 LEU HB+ 3.50 (# 3353:20 Unique 2.44, 2.78 A)
&rst
ixpk= 3353, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,
&end
#
# 75 LEU MDX 75 LEU HB+ 3.00 (# 3354:20 Unique 2.25, 3.28 A)
&rst
ixpk= 3354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1216,1217,1218,1220,1221,1222,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:3356 83 ALA MB 4.00 (# 3356:20 Single 0.00, 0.00 )
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
igr2=1349,1350,1351,
&end
#
# 0 AMB 20-2:3357 97 LEU HA 5.00 (# 3357:20 Single 0.00, 0.00 )
&rst
ixpk= 3357, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1596,1597,1598,1513,1514,1515,
&end
#
# 96 LYS HG- 96 LYS HA 4.00 (# 3358:20 Unique 2.43, 3.28 A)
&rst
ixpk= 3358, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1526,1527,
&end
#
# 98 SER HN 96 LYS HE+ 7.00 (# 3359:20 Unique 5.15, 6.40 A)
&rst
ixpk= 3359, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1532,1533,
&end
#
# 0 AMB 20-2:3360 0 AMB 20-1:3360 3.00 (# 3360:20 Double 0.00, 0.00 )
&rst
ixpk= 3360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 904, 905,1407,1408,
igr2= 910, 911,1413,1414,
&end
#
# 0 AMB 20-2:3361 0 AMB 20-1:3361 3.00 (# 3361:20 Double 0.00, 0.00 )
&rst
ixpk= 3361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1236,1237,1529,1530,1523,1524,
igr2=1239,1240,1532,1533,
&end
#
# 0 AMB 20-2:3362 0 AMB 20-1:3362 3.00 (# 3362:20 Double 0.00, 0.00 )
&rst
ixpk= 3362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1407,1408,1014,1015, 803, 804,1349,1350,1351,
igr2=1359,1360,1359,1360,1575,1576,1359,1360,
&end
#
# 60 GLU HB+ 47 LYS HE+ 3.00 (# 3363:20 Unique 1.93, 5.20 A)
&rst
ixpk= 3363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 996, 997,
igr2= 763, 764,
&end
#
# 103 ILE QD1 47 LYS HE+ 3.00 (# 3364:20 Unique 2.38, 3.93 A)
&rst
ixpk= 3364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1640,1641,1642,
igr2= 763, 764,
&end
#
# 80 VAL MGX 94 THR MG2 5.00 (# 3366:20 Unique 4.74, 6.76 A)
&rst
ixpk= 3366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1304,1305,1306,1308,1309,1310,
igr2=1501,1502,1503,
&end
#
# 95 ALA MB 94 THR MG2 5.00 (# 3367:20 Unique 5.19, 6.58 A)
&rst
ixpk= 3367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
igr2=1501,1502,1503,
&end
#
# 45 MET HG+ 62 THR MG2 5.80 (# 3368:20 Unique 4.78, 5.45 A)
&rst
ixpk= 3368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 733, 734,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:3369 62 THR MG2 6.00 (# 3369:20 Single 0.00, 0.00 )
&rst
ixpk= 3369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 733, 734, 776, 777,
igr2=1035,1036,1037,
&end
#
# 35 TYR HD- 35 TYR HA 4.50 (# 3372:20 Unique 2.11, 3.68 A)
&rst
ixpk= 3372, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 568, 577,
&end
#
# 92 VAL HN 93 TYR HA 5.50 (# 3375:20 Unique 4.73, 4.76 A)
&rst
ixpk= 3375, nxpk= 20, iat=1458,1476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:3377 30 MET ME 4.00 (# 3377:20 Single 0.00, 0.00 )
&rst
ixpk= 3377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 522, 523, 462,
igr2= 481, 482, 483,
&end
#
# 33 TYR HE+ 30 MET ME 6.00 (# 3378:20 Unique 4.78, 7.84 A)
&rst
ixpk= 3378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 528, 533,
igr2= 481, 482, 483,
&end
#
# 65 VAL HA 82 VAL MGX 4.50 (# 3379:20 Unique 1.52, 3.98 A)
&rst
ixpk= 3379, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 48 TRP HD+ 50 LYS HB- 5.80 (# 3381:20 Unique 3.41, 4.52 A)
&rst
ixpk= 3381, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 822, 823,
&end
#
# 51 LYS HN 50 LYS HB- 4.50 (# 3382:20 Unique 3.14, 3.78 A)
&rst
ixpk= 3382, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 822, 823,
&end
#
# 72 ASP HN 70 PRO HB+ 4.00 (# 3384:20 Unique 2.20, 3.11 A)
&rst
ixpk= 3384, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1150,1151,
&end
#
# 70 PRO HD+ 70 PRO HB+ 4.20 (# 3386:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1144,1145,
igr2=1150,1151,
&end
#
# 3 SER HB+ 1 MET HG+ 5.00 (# 3388:20 Unique 3.97, 6.11 A)
&rst
ixpk= 3388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 35, 36,
igr2= 11, 12,
&end
#
# 33 TYR HN 32 TRP HB+ 4.00 (# 3389:20 Unique 2.24, 2.77 A)
&rst
ixpk= 3389, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 498, 499,
&end
#
# 33 TYR HN 32 TRP HB- 4.00 (# 3390:20 Unique 2.24, 2.77 A)
&rst
ixpk= 3390, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 498, 499,
&end
#
# 0 AMB 20-2:3393 0 AMB 20-1:3393 6.00 (# 3393:20 Double 0.00, 0.00 )
&rst
ixpk= 3393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 460, 507, 547, 556,
igr2= 498, 499, 498, 499, 498, 499,
&end
#
# 0 AMB 20-2:3394 32 TRP HB- 6.00 (# 3394:20 Single 0.00, 0.00 )
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 460, 507, 547, 556,
igr2= 498, 499,
&end
#
# 63 VAL HB 63 VAL MGX 3.00 (# 3397:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3397, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 113 ILE HN 110 GLN HA 4.00 (# 3398:20 Unique 3.55, 3.67 A)
&rst
ixpk= 3398, nxpk= 20, iat=1766,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 ALA HN 111 GLU HA 4.00 (# 3399:20 Unique 3.85, 3.91 A)
&rst
ixpk= 3399, nxpk= 20, iat=1785,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3400 11 GLU HA 4.00 (# 3400:20 Single 0.00, 0.00 )
&rst
ixpk= 3400, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 177, 237,
&end
#
# 15 GLU HB- 11 GLU HA 4.80 (# 3401:20 Unique 4.20, 4.51 A)
&rst
ixpk= 3401, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 241, 242,
&end
#
# 14 ILE HN 11 GLU HA 5.50 (# 3403:20 Unique 4.74, 5.00 A)
&rst
ixpk= 3403, nxpk= 20, iat= 218, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 CYS HN 71 ASP HA 5.10 (# 3404:20 Unique 2.82, 3.52 A)
&rst
ixpk= 3404, nxpk= 20, iat=1196,1159, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 4 VAL MGX 2 ALA HA 6.00 (# 3406:20 Unique 4.33, 6.68 A)
&rst
ixpk= 3406, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 8 GLU HA 11 GLU HB- 4.00 (# 3407:20 Unique 2.63, 3.84 A)
&rst
ixpk= 3407, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 166, 167,
&end
#
# 14 ILE HA 18 ILE QD1 4.00 (# 3408:20 Unique 2.63, 3.83 A)
&rst
ixpk= 3408, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:3409 29 ALA HA 6.00 (# 3409:20 Single 0.00, 0.00 )
&rst
ixpk= 3409, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 496, 489, 490,2002,2003,
&end
#
# 63 VAL MGX 62 THR HA 5.00 (# 3411:20 Unique 3.50, 4.92 A)
&rst
ixpk= 3411, nxpk= 20, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 62 THR HN 62 THR HA 3.50 (# 3412:20 Unique 2.80, 2.82 A)
&rst
ixpk= 3412, nxpk= 20, iat=1029,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 GLY HA+ 85 ILE HB 5.00 (# 3413:20 Unique 4.87, 4.97 A)
&rst
ixpk= 3413, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1388,1389,
&end
#
# 55 THR MG2 54 LYS HB- 6.00 (# 3414:20 Unique 3.31, 5.13 A)
&rst
ixpk= 3414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 925, 926, 927,
igr2= 901, 902,
&end
#
# 3 SER HN 3 SER HA 4.00 (# 3416:20 Unique 2.79, 2.84 A)
&rst
ixpk= 3416, nxpk= 20, iat= 31, 33, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 SER HN 3 SER HB- 4.00 (# 3417:20 Unique 2.75, 3.56 A)
&rst
ixpk= 3417, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 35, 36,
&end
#
# 10 ARG HB- 5 GLU HA 6.50 (# 3420:20 Unique 2.40, 3.30 A)
&rst
ixpk= 3420, nxpk= 20, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 142, 143,
&end
#
# 0 AMB 20-2:3421 0 AMB 20-1:3421 5.00 (# 3421:20 Double 0.00, 0.00 )
&rst
ixpk= 3421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 101, 102, 101, 102,
igr2= 77, 78, 77, 78,
&end
#
# 0 AMB 20-2:3422 6 ARG HB- 6.00 (# 3422:20 Single 0.00, 0.00 )
&rst
ixpk= 3422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 101, 102, 101, 102,
igr2= 77, 78,
&end
#
# 6 ARG HN 6 ARG HD+ 4.80 (# 3423:20 Unique 1.84, 3.39 A)
&rst
ixpk= 3423, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 83, 84,
&end
#
# 23 GLU HN 27 GLU HA 6.60 (# 3424:20 Unique 5.55, 5.66 A)
&rst
ixpk= 3424, nxpk= 20, iat= 357, 423, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, &end
#
# 14 ILE QG2 11 GLU HA 4.00 (# 3427:20 Unique 2.99, 4.20 A)
&rst
ixpk= 3427, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 224, 225, 226,
&end
#
# 9 THR HN 8 GLU HB+ 4.50 (# 3428:20 Unique 3.41, 3.97 A)
&rst
ixpk= 3428, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 113, 114,
&end
#
# 9 THR HN 8 GLU HB- 4.50 (# 3429:20 Unique 3.41, 3.97 A)
&rst
ixpk= 3429, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 113, 114,
&end
#
# 0 AMB 20-2:3430 0 AMB 20-1:3430 3.00 (# 3430:20 Double 0.00, 0.00 )
&rst
ixpk= 3430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 116, 117, 166, 167,
igr2= 113, 114, 113, 114,
&end
#
# 13 ARG HD+ 9 THR HA 4.60 (# 3432:20 Unique 2.23, 3.41 A)
&rst
ixpk= 3432, nxpk= 20, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 204, 205,
&end
#
# 0 AMB 20-2:3436 9 THR MG2 6.00 (# 3436:20 Single 0.00, 0.00 )
&rst
ixpk= 3436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 151, 207,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:3437 0 AMB 20-1:3437 3.80 (# 3437:20 Double 0.00, 0.00 )
&rst
ixpk= 3437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 126,1388,1389,
igr2= 130, 131, 132,1035,1036,1037,
&end
#
# 0 AMB 20-2:3438 0 AMB 20-1:3438 6.00 (# 3438:20 Double 0.00, 0.00 )
&rst
ixpk= 3438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 113, 114,1609,1610,
igr2= 130, 131, 132,1035,1036,1037,
&end
#
# 45 MET HB+ 62 THR MG2 4.00 (# 3439:20 Unique 3.31, 5.21 A)
&rst
ixpk= 3439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 730, 731,
igr2=1035,1036,1037,
&end
#
# 13 ARG HN 12 HIS HA 4.20 (# 3443:20 Unique 3.56, 3.57 A)
&rst
ixpk= 3443, nxpk= 20, iat= 194, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 GLU HB+ 12 HIS HA 4.20 (# 3444:20 Unique 2.48, 3.29 A)
&rst
ixpk= 3444, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 241, 242,
&end
#
# 15 GLU HB- 12 HIS HA 3.00 (# 3445:20 Unique 2.48, 3.29 A)
&rst
ixpk= 3445, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 241, 242,
&end
#
# 16 THR MG2 12 HIS HA 5.00 (# 3446:20 Unique 3.31, 4.36 A)
&rst
ixpk= 3446, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 258, 259, 260,
&end
#
# 15 GLU HN 14 ILE HA 4.00 (# 3449:20 Unique 3.48, 3.49 A)
&rst
ixpk= 3449, nxpk= 20, iat= 237, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 ILE HN 14 ILE HA 5.50 (# 3450:20 Unique 4.61, 5.20 A)
&rst
ixpk= 3450, nxpk= 20, iat= 300, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ILE HN 14 ILE HA 4.00 (# 3451:20 Unique 2.90, 3.39 A)
&rst
ixpk= 3451, nxpk= 20, iat= 281, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ILE QD1 14 ILE HA 5.00 (# 3453:20 Unique 3.89, 4.40 A)
&rst
ixpk= 3453, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 231, 232, 233,
&end
#
# 18 ILE QG2 14 ILE HA 6.00 (# 3455:20 Unique 4.89, 5.80 A)
&rst
ixpk= 3455, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 287, 288, 289,
&end
#
# 18 ILE QD1 14 ILE HG1- 3.50 (# 3457:20 Unique 1.95, 3.08 A)
&rst
ixpk= 3457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 294, 295, 296,
igr2= 228, 229,
&end
#
# 0 AMB 20-2:3458 14 ILE QD1 6.00 (# 3458:20 Single 0.00, 0.00 )
&rst
ixpk= 3458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1871, 58,1850,
igr2= 231, 232, 233,
&end
#
# 10 ARG HA 14 ILE QD1 6.00 (# 3460:20 Unique 2.52, 4.61 A)
&rst
ixpk= 3460, nxpk= 20, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 231, 232, 233,
&end
#
# 14 ILE HA 14 ILE QD1 5.00 (# 3461:20 Unique 3.89, 4.40 A)
&rst
ixpk= 3461, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 231, 232, 233,
&end
#
# 15 GLU HA 14 ILE QG2 4.00 (# 3465:20 Unique 3.10, 3.88 A)
&rst
ixpk= 3465, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 224, 225, 226,
&end
#
# 14 ILE HA 14 ILE QG2 4.00 (# 3467:20 Unique 2.75, 3.65 A)
&rst
ixpk= 3467, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 224, 225, 226,
&end
#
# 16 THR HN 15 GLU HA 4.00 (# 3471:20 Unique 3.54, 3.56 A)
&rst
ixpk= 3471, nxpk= 20, iat= 252, 239, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 GLU HG+ 15 GLU HB+ 3.00 (# 3472:20 Unique 2.28, 2.72 A)
&rst
ixpk= 3472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 244, 245,
igr2= 241, 242,
&end
#
# 15 GLU HG+ 15 GLU HB- 3.00 (# 3473:20 Unique 2.28, 2.72 A)
&rst
ixpk= 3473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 244, 245,
igr2= 241, 242,
&end
#
# 20 VAL HA 16 THR HA 4.00 (# 3474:20 Unique 1.87, 1.94 A)
&rst
ixpk= 3474, nxpk= 20, iat= 321, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 57 THR HN 57 THR HB 4.00 (# 3475:20 Unique 2.29, 2.65 A)
&rst
ixpk= 3475, nxpk= 20, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 GLU HN 16 THR HB 5.00 (# 3476:20 Unique 4.51, 4.54 A)
&rst
ixpk= 3476, nxpk= 20, iat= 266, 256, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 THR MG2 16 THR HB 3.00 (# 3477:20 Unique 2.36, 2.64 A)
&rst
ixpk= 3477, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 258, 259, 260,
&end
#
# 0 AMB 20-2:3478 16 THR HB 6.50 (# 3478:20 Single 0.00, 0.00 )
&rst
ixpk= 3478, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 23 GLU HG+ 23 GLU HA 4.10 (# 3479:20 Unique 2.46, 3.11 A)
&rst
ixpk= 3479, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 364, 365,
&end
#
# 0 AMB 20-2:3480 88 LYS HA 4.00 (# 3480:20 Single 0.00, 0.00 )
&rst
ixpk= 3480, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1426,1427,1359,1360,1450,1451,
&end
#
# 40 LEU HN 39 THR HA 4.00 (# 3481:20 Unique 3.48, 3.55 A)
&rst
ixpk= 3481, nxpk= 20, iat= 638, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3483 0 AMB 20-1:3483 5.40 (# 3483:20 Double 0.00, 0.00 )
&rst
ixpk= 3483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr1= 281, 568, 577,
igr2= 291, 292, 291, 292,
&end
#
# 18 ILE HG1+ 18 ILE QG2 3.00 (# 3484:20 Unique 2.52, 3.51 A)
&rst
ixpk= 3484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 291, 292,
igr2= 287, 288, 289,
&end
#
# 34 TYR HN 18 ILE QG2 6.00 (# 3486:20 Unique 5.82, 6.77 A)
&rst
ixpk= 3486, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 287, 288, 289,
&end
#
# 0 AMB 20-2:3488 18 ILE QD1 6.00 (# 3488:20 Single 0.00, 0.00 )
&rst
ixpk= 3488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 218, 581,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:3490 18 ILE QD1 6.00 (# 3490:20 Single 0.00, 0.00 )
&rst
ixpk= 3490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 222, 273, 274,
igr2= 294, 295, 296,
&end
#
# 14 ILE QD1 18 ILE QD1 5.00 (# 3491:20 Unique 2.14, 4.14 A)
&rst
ixpk= 3491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 231, 232, 233,
igr2= 294, 295, 296,
&end
#
# 19 ILE QD1 19 ILE HA 5.00 (# 3492:20 Unique 3.78, 4.60 A)
&rst
ixpk= 3492, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 0 AMB 20-2:3493 19 ILE HA 6.50 (# 3493:20 Single 0.00, 0.00 )
&rst
ixpk= 3493, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 19 ILE HA 19 ILE QG2 3.00 (# 3497:20 Unique 2.03, 2.87 A)
&rst
ixpk= 3497, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 306, 307, 308,
&end
#
# 32 TRP HB+ 19 ILE QG2 5.00 (# 3499:20 Unique 3.67, 5.36 A)
&rst
ixpk= 3499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 498, 499,
igr2= 306, 307, 308,
&end
#
# 78 MET ME 29 ALA MB 3.00 (# 3501:20 Unique 1.96, 4.11 A)
&rst
ixpk= 3501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1271,1272,1273,
igr2= 464, 465, 466,
&end
#
# 30 MET HN 29 ALA MB 3.00 (# 3502:20 Unique 2.75, 3.57 A)
&rst
ixpk= 3502, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 464, 465, 466,
&end
#
# 28 ARG HA 19 ILE QD1 5.50 (# 3503:20 Unique 3.64, 4.97 A)
&rst
ixpk= 3503, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 313, 314, 315,
&end
#
# 18 ILE QG2 19 ILE QD1 5.50 (# 3504:20 Unique 2.08, 5.04 A)
&rst
ixpk= 3504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 287, 288, 289,
igr2= 313, 314, 315,
&end
#
# 22 ALA HN 20 VAL HB 5.50 (# 3505:20 Unique 3.45, 3.81 A)
&rst
ixpk= 3505, nxpk= 20, iat= 347, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ARG HD+ 53 ARG HB+ 3.00 (# 3506:20 Unique 1.95, 3.09 A)
&rst
ixpk= 3506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 883, 884,
igr2= 877, 878,
&end
#
# 19 ILE HN 20 VAL MGY 7.00 (# 3509:20 Unique 3.64, 5.80 A)
&rst
ixpk= 3509, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 92 VAL HA 92 VAL MGY 3.00 (# 3510:20 Unique 2.13, 3.52 A)
&rst
ixpk= 3510, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 21 ASP HB+ 20 VAL MGY 6.00 (# 3511:20 Unique 2.31, 5.54 A)
&rst
ixpk= 3511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 339, 340,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 0 AMB 20-2:3512 22 ALA MB 6.60 (# 3512:20 Single 0.00, 0.00 )
&rst
ixpk= 3512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 460, 507,
igr2= 351, 352, 353,
&end
#
# 31 GLY HA- 22 ALA MB 5.60 (# 3514:20 Unique 3.00, 4.46 A)
&rst
ixpk= 3514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1= 489, 490,
igr2= 351, 352, 353,
&end
#
# 0 AMB 20-2:3516 22 ALA MB 6.60 (# 3516:20 Single 0.00, 0.00 )
&rst
ixpk= 3516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 498, 499, 397, 398,
igr2= 351, 352, 353,
&end
#
# 32 TRP HB- 22 ALA MB 8.10 (# 3517:20 Unique 5.74, 7.85 A)
&rst
ixpk= 3517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.92, r4=11.42,
igr1= 498, 499,
igr2= 351, 352, 353,
&end
#
# 25 LYS HN 25 LYS HA 3.50 (# 3523:20 Unique 2.73, 2.76 A)
&rst
ixpk= 3523, nxpk= 20, iat= 384, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ASP HB- 25 LYS HB+ 5.50 (# 3525:20 Unique 4.78, 6.05 A)
&rst
ixpk= 3525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 376, 377,
igr2= 388, 389,
&end
#
# 26 GLU HA 25 LYS HG+ 5.00 (# 3526:20 Unique 3.57, 4.62 A)
&rst
ixpk= 3526, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 391, 392,
&end
#
# 26 GLU HA 25 LYS HG- 5.00 (# 3527:20 Unique 3.57, 4.62 A)
&rst
ixpk= 3527, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 391, 392,
&end
#
# 29 ALA HN 28 ARG HA 4.00 (# 3528:20 Unique 3.56, 3.57 A)
&rst
ixpk= 3528, nxpk= 20, iat= 460, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 GLY HN 28 ARG HA 4.20 (# 3529:20 Unique 3.61, 3.79 A)
&rst
ixpk= 3529, nxpk= 20, iat= 487, 438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 30 MET ME 29 ALA HA 5.50 (# 3530:20 Unique 3.99, 5.02 A)
&rst
ixpk= 3530, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 481, 482, 483,
&end
#
# 36 LEU HN 32 TRP HA 4.50 (# 3533:20 Unique 3.73, 4.05 A)
&rst
ixpk= 3533, nxpk= 20, iat= 581, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3534 32 TRP HA 6.00 (# 3534:20 Single 0.00, 0.00 )
&rst
ixpk= 3534, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 590, 591, 592, 594, 595, 596,1267,1268,
&end
#
# 18 ILE QD1 32 TRP HA 5.50 (# 3536:20 Unique 3.50, 4.86 A)
&rst
ixpk= 3536, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 294, 295, 296,
&end
#
# 36 LEU HB- 33 TYR HA 3.00 (# 3539:20 Unique 1.89, 2.46 A)
&rst
ixpk= 3539, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 585, 586,
&end
#
# 0 AMB 20-2:3548 35 TYR HA 6.00 (# 3548:20 Single 0.00, 0.00 )
&rst
ixpk= 3548, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 18 ILE QG2 35 TYR HA 6.00 (# 3549:20 Unique 5.24, 6.84 A)
&rst
ixpk= 3549, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 287, 288, 289,
&end
#
# 18 ILE QG2 35 TYR HB+ 5.00 (# 3550:20 Unique 2.49, 4.65 A)
&rst
ixpk= 3550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 287, 288, 289,
igr2= 564, 565,
&end
#
# 0 AMB 20-2:3551 117 LEU HA 5.50 (# 3551:20 Single 0.00, 0.00 )
&rst
ixpk= 3551, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 40 LEU HN 36 LEU HA 5.00 (# 3552:20 Unique 3.49, 3.92 A)
&rst
ixpk= 3552, nxpk= 20, iat= 638, 583, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 36 LEU MDX 36 LEU HB- 3.80 (# 3553:20 Unique 1.94, 3.22 A)
&rst
ixpk= 3553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 590, 591, 592, 594, 595, 596,
igr2= 585, 586,
&end
#
# 0 AMB 20-2:3554 36 LEU HG 4.00 (# 3554:20 Single 0.00, 0.00 )
&rst
ixpk= 3554, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 585, 586,1760,1761,1762,
&end
#
# 36 LEU HA 36 LEU HG 4.00 (# 3555:20 Unique 2.33, 2.68 A)
&rst
ixpk= 3555, nxpk= 20, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3556 36 LEU MDX 6.00 (# 3556:20 Single 0.00, 0.00 )
&rst
ixpk= 3556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1807, 638,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 38 ASP HN 37 ASP HA 4.00 (# 3558:20 Unique 3.53, 3.55 A)
&rst
ixpk= 3558, nxpk= 20, iat= 612, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3561 0 AMB 20-1:3561 4.00 (# 3561:20 Double 0.00, 0.00 )
&rst
ixpk= 3561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
igr2= 602,1700,
&end
#
# 37 ASP HN 38 ASP HB+ 5.00 (# 3562:20 Unique 4.66, 4.95 A)
&rst
ixpk= 3562, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 616, 617,
&end
#
# 39 THR HB 39 THR HA 4.00 (# 3565:20 Unique 3.00, 3.01 A)
&rst
ixpk= 3565, nxpk= 20, iat= 628, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 ASP HB- 39 THR HA 5.50 (# 3566:20 Unique 4.09, 4.96 A)
&rst
ixpk= 3566, nxpk= 20, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 616, 617,
&end
#
# 36 LEU HA 39 THR HB 3.50 (# 3568:20 Unique 2.72, 3.09 A)
&rst
ixpk= 3568, nxpk= 20, iat= 583, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR HA 39 THR HB 3.50 (# 3569:20 Unique 3.00, 3.01 A)
&rst
ixpk= 3569, nxpk= 20, iat= 626, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR HA 39 THR MG2 3.00 (# 3571:20 Unique 2.44, 3.23 A)
&rst
ixpk= 3571, nxpk= 20, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 630, 631, 632,
&end
#
# 78 MET HB- 36 LEU MDY 3.00 (# 3572:20 Unique 1.90, 3.85 A)
&rst
ixpk= 3572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1264,1265,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 41 GLU HG+ 40 LEU HA 5.70 (# 3574:20 Unique 3.62, 5.04 A)
&rst
ixpk= 3574, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 664, 665,
&end
#
# 0 AMB 20-2:3575 40 LEU HA 5.80 (# 3575:20 Single 0.00, 0.00 )
&rst
ixpk= 3575, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 661, 662,1662,
&end
#
# 39 THR HB 40 LEU MDY 5.50 (# 3577:20 Unique 2.84, 4.99 A)
&rst
ixpk= 3577, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 68 MET HG+ 40 LEU MDY 6.00 (# 3578:20 Unique 2.97, 8.48 A)
&rst
ixpk= 3578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1123,1124,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:3579 40 LEU HG 6.00 (# 3579:20 Single 0.00, 0.00 )
&rst
ixpk= 3579, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 710, 711, 628,
&end
#
# 113 ILE QD1 40 LEU HG 4.60 (# 3581:20 Unique 2.36, 3.65 A)
&rst
ixpk= 3581, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1779,1780,1781,
&end
#
# 109 THR MG2 40 LEU HG 4.00 (# 3582:20 Unique 1.97, 3.14 A)
&rst
ixpk= 3582, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1716,1717,1718,
&end
#
# 33 TYR HB- 75 LEU MDY 6.00 (# 3584:20 Unique 6.63, 9.21 A)
&rst
ixpk= 3584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 522, 523,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 41 GLU HN 41 GLU HA 3.70 (# 3587:20 Unique 2.29, 2.83 A)
&rst
ixpk= 3587, nxpk= 20, iat= 657, 659, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 40 LEU HA 41 GLU HA 5.20 (# 3588:20 Unique 4.32, 4.41 A)
&rst
ixpk= 3588, nxpk= 20, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 40 LEU MDY 41 GLU HA 7.00 (# 3589:20 Unique 6.05, 7.44 A)
&rst
ixpk= 3589, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 41 GLU HG+ 41 GLU HB+ 3.50 (# 3594:20 Unique 2.21, 2.70 A)
&rst
ixpk= 3594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 664, 665,
igr2= 661, 662,
&end
#
# 43 PRO HA 42 PHE HB+ 4.20 (# 3595:20 Unique 2.60, 3.40 A)
&rst
ixpk= 3595, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 676, 677,
&end
#
# 42 PHE HA 42 PHE HB+ 3.00 (# 3596:20 Unique 2.26, 2.51 A)
&rst
ixpk= 3596, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 676, 677,
&end
#
# 42 PHE HA 42 PHE HB- 3.00 (# 3597:20 Unique 2.26, 2.51 A)
&rst
ixpk= 3597, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 676, 677,
&end
#
# 16 THR HB 16 THR HA 3.00 (# 3598:20 Unique 2.33, 2.35 A)
&rst
ixpk= 3598, nxpk= 20, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 PHE HN 41 GLU HB+ 5.20 (# 3599:20 Unique 4.05, 4.42 A)
&rst
ixpk= 3599, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 661, 662,
&end
#
# 0 AMB 20-2:3600 44 PHE HA 6.00 (# 3600:20 Single 0.00, 0.00 )
&rst
ixpk= 3600, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 733, 734,1650,1651, 676, 677,
&end
#
# 0 AMB 20-2:3608 0 AMB 20-1:3608 6.00 (# 3608:20 Double 0.00, 0.00 )
&rst
ixpk= 3608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1074, 772,
igr2= 733, 734, 733, 734,
&end
#
# 45 MET ME 46 GLY HA+ 4.50 (# 3610:20 Unique 2.34, 3.92 A)
&rst
ixpk= 3610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 737, 738, 739,
igr2= 745, 746,
&end
#
# 48 TRP HB- 47 LYS HA 5.00 (# 3611:20 Unique 4.38, 4.65 A)
&rst
ixpk= 3611, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 776, 777,
&end
#
# 45 MET ME 47 LYS HA 4.30 (# 3612:20 Unique 3.21, 3.75 A)
&rst
ixpk= 3612, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 737, 738, 739,
&end
#
# 63 VAL MGY 47 LYS HA 6.00 (# 3613:20 Unique 3.96, 5.77 A)
&rst
ixpk= 3613, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:3614 99 ASP HA 6.10 (# 3614:20 Single 0.00, 0.00 )
&rst
ixpk= 3614, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 971, 972, 973, 825, 826,
&end
#
# 48 TRP HE1 50 LYS HE+ 4.50 (# 3615:20 Unique 2.73, 4.02 A)
&rst
ixpk= 3615, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 831, 832,
&end
#
# 100 ILE HG1- 48 TRP HA 3.50 (# 3616:20 Unique 1.84, 2.79 A)
&rst
ixpk= 3616, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1593,1594,
&end
#
# 0 AMB 20-2:3617 48 TRP HA 6.00 (# 3617:20 Single 0.00, 0.00 )
&rst
ixpk= 3617, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 800, 801, 760, 761,
&end
#
# 99 ASP HB+ 48 TRP HA 6.00 (# 3618:20 Unique 4.09, 5.24 A)
&rst
ixpk= 3618, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1575,1576,
&end
#
# 48 TRP HE1 48 TRP HA 5.50 (# 3619:20 Unique 4.74, 4.79 A)
&rst
ixpk= 3619, nxpk= 20, iat= 782, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LYS HN 48 TRP HB- 4.00 (# 3620:20 Unique 2.30, 3.41 A)
&rst
ixpk= 3620, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 60 GLU HA 49 LYS HA 3.00 (# 3624:20 Unique 2.44, 2.69 A)
&rst
ixpk= 3624, nxpk= 20, iat= 994, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 LYS HN 49 LYS HB+ 3.00 (# 3625:20 Unique 2.73, 3.17 A)
&rst
ixpk= 3625, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 800, 801,
&end
#
# 0 AMB 20-2:3626 0 AMB 20-1:3626 5.00 (# 3626:20 Double 0.00, 0.00 )
&rst
ixpk= 3626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1575,1576,1159,
igr2= 800, 801,1150,1151,
&end
#
# 49 LYS HE+ 49 LYS HB- 4.50 (# 3627:20 Unique 2.01, 3.77 A)
&rst
ixpk= 3627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 809, 810,
igr2= 800, 801,
&end
#
# 49 LYS HA 49 LYS HG- 4.00 (# 3628:20 Unique 3.02, 3.61 A)
&rst
ixpk= 3628, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 803, 804,
&end
#
# 49 LYS HA 49 LYS HG+ 4.00 (# 3629:20 Unique 3.02, 3.61 A)
&rst
ixpk= 3629, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 803, 804,
&end
#
# 50 LYS HA 50 LYS HD- 5.00 (# 3630:20 Unique 3.70, 4.35 A)
&rst
ixpk= 3630, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 828, 829,
&end
#
# 61 LYS HE+ 50 LYS HD+ 5.00 (# 3631:20 Unique 2.56, 4.65 A)
&rst
ixpk= 3631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1020,1021,
igr2= 828, 829,
&end
#
# 61 LYS HE+ 50 LYS HD- 5.00 (# 3632:20 Unique 2.56, 4.65 A)
&rst
ixpk= 3632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1020,1021,
igr2= 828, 829,
&end
#
# 5 GLU HN 0 AMB 20-1:3642 6.50 (# 3642:20 Single 0.00, 0.00 )
&rst
ixpk= 3642, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr2= 35, 36, 35, 36,
&end
#
# 57 THR HN 56 SER HA 4.50 (# 3643:20 Unique 2.82, 3.16 A)
&rst
ixpk= 3643, nxpk= 20, iat= 944, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:3644 56 SER HA 6.50 (# 3644:20 Single 0.00, 0.00 )
&rst
ixpk= 3644, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 925, 926, 927, 950, 951, 952,
&end
#
# 0 AMB 20-2:3651 58 ILE HB 4.40 (# 3651:20 Single 0.00, 0.00 )
&rst
ixpk= 3651, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 946, 842,
&end
#
# 50 LYS HN 58 ILE QD1 5.50 (# 3653:20 Unique 3.12, 4.83 A)
&rst
ixpk= 3653, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 971, 972, 973,
&end
#
# 0 AMB 20-2:3654 58 ILE QD1 6.00 (# 3654:20 Single 0.00, 0.00 )
&rst
ixpk= 3654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 820, 937, 938,
igr2= 971, 972, 973,
&end
#
# 59 GLU HG- 59 GLU HA 3.80 (# 3656:20 Unique 2.24, 2.99 A)
&rst
ixpk= 3656, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 984, 985,
&end
#
# 59 GLU HG+ 59 GLU HA 3.00 (# 3657:20 Unique 2.24, 2.99 A)
&rst
ixpk= 3657, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 984, 985,
&end
#
# 58 ILE QG2 59 GLU HA 5.00 (# 3658:20 Unique 3.72, 4.67 A)
&rst
ixpk= 3658, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 964, 965, 966,
&end
#
# 49 LYS HA 60 GLU HA 3.00 (# 3660:20 Unique 2.44, 2.69 A)
&rst
ixpk= 3660, nxpk= 20, iat= 798, 994, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3662 60 GLU HA 5.00 (# 3662:20 Single 0.00, 0.00 )
&rst
ixpk= 3662, nxpk= 20, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 800, 801, 760, 761,
&end
#
# 62 THR HB 62 THR HA 3.50 (# 3667:20 Unique 2.96, 3.00 A)
&rst
ixpk= 3667, nxpk= 20, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET HA 62 THR MG2 5.50 (# 3674:20 Unique 5.10, 6.19 A)
&rst
ixpk= 3674, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:3675 62 THR MG2 4.00 (# 3675:20 Single 0.00, 0.00 )
&rst
ixpk= 3675, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1633,1634,1635,1373,1374,1375,
igr2=1035,1036,1037,
&end
#
# 85 ILE HG1- 63 VAL HA 3.50 (# 3676:20 Unique 1.94, 2.84 A)
&rst
ixpk= 3676, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1377,1378,
&end
#
# 0 AMB 20-2:3677 63 VAL HA 4.00 (# 3677:20 Single 0.00, 0.00 )
&rst
ixpk= 3677, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1063,1064,1371,1011,1012,
&end
#
# 0 AMB 20-2:3678 63 VAL MGX 6.00 (# 3678:20 Single 0.00, 0.00 )
&rst
ixpk= 3678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1007,1090, 796,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 62 THR HA 63 VAL MGX 4.50 (# 3679:20 Unique 3.50, 4.92 A)
&rst
ixpk= 3679, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:3680 63 VAL MGX 5.00 (# 3680:20 Single 0.00, 0.00 )
&rst
ixpk= 3680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 745, 746, 752,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:3683 63 VAL MGX 4.00 (# 3683:20 Single 0.00, 0.00 )
&rst
ixpk= 3683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1593,1594,1377,1378,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:3688 0 AMB 20-1:3688 4.00 (# 3688:20 Double 0.00, 0.00 )
&rst
ixpk= 3688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 803, 804,1349,1350,1351,
igr2=1606,1607,1063,1064,
&end
#
# 0 AMB 20-2:3689 64 GLU HB- 5.00 (# 3689:20 Single 0.00, 0.00 )
&rst
ixpk= 3689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1349,1350,1351,1377,1378,
igr2=1063,1064,
&end
#
# 82 VAL HA 65 VAL HA 3.00 (# 3692:20 Unique 2.01, 2.51 A)
&rst
ixpk= 3692, nxpk= 20, iat=1331,1076, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 VAL HA 65 VAL HB 3.50 (# 3695:20 Unique 2.27, 2.94 A)
&rst
ixpk= 3695, nxpk= 20, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 GLY HA+ 65 VAL MGX 6.50 (# 3696:20 Unique 3.70, 6.96 A)
&rst
ixpk= 3696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 745, 746,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 97 LEU MDX 65 VAL MGX 4.40 (# 3697:20 Unique 3.88, 6.77 A)
&rst
ixpk= 3697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=1550,1551,1552,1554,1555,1556,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:3698 65 VAL MGY 6.00 (# 3698:20 Single 0.00, 0.00 )
&rst
ixpk= 3698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1111,1112, 745, 746,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 80 VAL HA 65 VAL MGY 6.00 (# 3699:20 Unique 4.10, 5.89 A)
&rst
ixpk= 3699, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 82 VAL HB 65 VAL MGY 6.00 (# 3700:20 Unique 3.03, 5.35 A)
&rst
ixpk= 3700, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 80 VAL MGY 65 VAL MGY 3.00 (# 3702:20 Unique 1.87, 4.27 A)
&rst
ixpk= 3702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1304,1305,1306,1308,1309,1310,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 65 VAL HB 65 VAL MGY 3.00 (# 3703:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3703, nxpk= 20, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 82 VAL MGY 95 ALA MB 4.00 (# 3705:20 Unique 4.85, 7.51 A)
&rst
ixpk= 3705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1513,1514,1515,
&end
#
# 0 AMB 20-2:3706 109 THR MG2 3.00 (# 3706:20 Single 0.00, 0.00 )
&rst
ixpk= 3706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
igr2=1716,1717,1718,
&end
#
# 43 PRO HA 66 LEU HA 4.00 (# 3707:20 Unique 3.03, 3.48 A)
&rst
ixpk= 3707, nxpk= 20, iat= 702,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 LEU HN 66 LEU HB- 3.50 (# 3708:20 Unique 2.22, 2.96 A)
&rst
ixpk= 3708, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 81 GLU HB+ 66 LEU HB- 4.00 (# 3709:20 Unique 2.11, 3.49 A)
&rst
ixpk= 3709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1318,1319,
igr2=1094,1095,
&end
#
# 81 GLU HB+ 66 LEU HB+ 3.00 (# 3710:20 Unique 2.11, 3.49 A)
&rst
ixpk= 3710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1318,1319,
igr2=1094,1095,
&end
#
# 66 LEU HB+ 66 LEU MDX 3.00 (# 3712:20 Unique 2.06, 3.37 A)
&rst
ixpk= 3712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1094,1095,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 64 GLU HB- 66 LEU MDX 4.00 (# 3713:20 Unique 3.35, 5.97 A)
&rst
ixpk= 3713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1063,1064,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 0 AMB 20-2:3716 69 ALA MB 4.00 (# 3716:20 Single 0.00, 0.00 )
&rst
ixpk= 3716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1127,1128,1129,1150,1151,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:3717 70 PRO HA 4.50 (# 3717:20 Single 0.00, 0.00 )
&rst
ixpk= 3717, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1169,1133,
&end
#
# 70 PRO HD+ 70 PRO HA 4.50 (# 3718:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3718, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 71 ASP HA 70 PRO HA 5.00 (# 3719:20 Unique 4.30, 4.31 A)
&rst
ixpk= 3719, nxpk= 20, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 GLU HN 71 ASP HA 4.60 (# 3720:20 Unique 3.30, 3.41 A)
&rst
ixpk= 3720, nxpk= 20, iat=1181,1159, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 74 CYS HB+ 71 ASP HA 5.60 (# 3722:20 Unique 2.52, 4.71 A)
&rst
ixpk= 3722, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1200,1201,
&end
#
# 73 GLU HN 72 ASP HA 4.10 (# 3723:20 Unique 2.82, 3.03 A)
&rst
ixpk= 3723, nxpk= 20, iat=1181,1171, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 75 LEU MDX 72 ASP HA 4.00 (# 3724:20 Unique 2.81, 4.44 A)
&rst
ixpk= 3724, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU MDY 72 ASP HA 3.00 (# 3725:20 Unique 2.81, 4.44 A)
&rst
ixpk= 3725, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HG 72 ASP HA 4.60 (# 3726:20 Unique 3.44, 3.85 A)
&rst
ixpk= 3726, nxpk= 20, iat=1214,1171, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 0 AMB 20-2:3727 51 LYS HA 3.00 (# 3727:20 Single 0.00, 0.00 )
&rst
ixpk= 3727, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 844, 845, 850, 851,
&end
#
# 0 AMB 20-2:3728 74 CYS HA 6.60 (# 3728:20 Single 0.00, 0.00 )
&rst
ixpk= 3728, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 8.63, r4= 9.13,
igr1=1127,1128,1129,1236,1237,
&end
#
# 0 AMB 20-2:3729 74 CYS HA 5.60 (# 3729:20 Single 0.00, 0.00 )
&rst
ixpk= 3729, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1214, 481, 482, 483,
&end
#
# 0 AMB 20-2:3731 0 AMB 20-1:3731 6.00 (# 3731:20 Double 0.00, 0.00 )
&rst
ixpk= 3731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 111, 126,
igr2= 181, 182, 181, 182,
&end
#
# 9 THR HA 12 HIS HB- 5.00 (# 3732:20 Unique 4.30, 5.31 A)
&rst
ixpk= 3732, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 181, 182,
&end
#
# 0 AMB 20-2:3733 126 PHE HB- 6.00 (# 3733:20 Single 0.00, 0.00 )
&rst
ixpk= 3733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1980,1981,1211,1212,
igr2=2002,2003,
&end
#
# 44 PHE HA 45 MET HB- 5.50 (# 3734:20 Unique 4.14, 4.83 A)
&rst
ixpk= 3734, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 730, 731,
&end
#
# 121 ALA MB 121 ALA HA 3.00 (# 3737:20 Unique 2.31, 2.63 A)
&rst
ixpk= 3737, nxpk= 20, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1918,1919,1920,
&end
#
# 0 AMB 20-2:3740 126 PHE HB- 6.00 (# 3740:20 Single 0.00, 0.00 )
&rst
ixpk= 3740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1980,1981,1986,1987,
igr2=2002,2003,
&end
#
# 0 AMB 20-2:3741 126 PHE HB- 7.00 (# 3741:20 Single 0.00, 0.00 )
&rst
ixpk= 3741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
igr1=1959,1960, 464, 465, 466,
igr2=2002,2003,
&end
#
# 13 ARG HG- 10 ARG HA 4.80 (# 3742:20 Unique 3.92, 4.63 A)
&rst
ixpk= 3742, nxpk= 20, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 201, 202,
&end
#
# 41 GLU HN 109 THR MG2 4.00 (# 3746:20 Unique 1.98, 3.56 A)
&rst
ixpk= 3746, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 110 GLN HN 109 THR MG2 4.00 (# 3747:20 Unique 2.57, 3.68 A)
&rst
ixpk= 3747, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 109 THR HN 109 THR MG2 4.00 (# 3748:20 Unique 4.32, 4.51 A)
&rst
ixpk= 3748, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 109 THR HB 109 THR MG2 4.00 (# 3749:20 Unique 2.23, 2.64 A)
&rst
ixpk= 3749, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 109 THR HA 109 THR MG2 3.00 (# 3750:20 Unique 2.47, 3.20 A)
&rst
ixpk= 3750, nxpk= 20, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1716,1717,1718,
&end
#
# 40 LEU MDX 109 THR MG2 4.00 (# 3751:20 Unique 1.93, 5.04 A)
&rst
ixpk= 3751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 647, 648, 649, 651, 652, 653,
igr2=1716,1717,1718,
&end
#
# 0 AMB 20-2:3752 109 THR MG2 4.00 (# 3752:20 Single 0.00, 0.00 )
&rst
ixpk= 3752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 642, 643,1760,1761,1762,
igr2=1716,1717,1718,
&end
#
# 33 TYR HA 33 TYR HB+ 3.00 (# 3753:20 Unique 2.32, 2.69 A)
&rst
ixpk= 3753, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 522, 523,
&end
#
# 63 VAL MGY 83 ALA HA 6.00 (# 3756:20 Unique 3.20, 5.91 A)
&rst
ixpk= 3756, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:3757 85 ILE HB 5.00 (# 3757:20 Single 0.00, 0.00 )
&rst
ixpk= 3757, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1386,1059,1345,
&end
#
# 50 LYS HB- 50 LYS HE+ 4.40 (# 3758:20 Unique 2.24, 3.48 A)
&rst
ixpk= 3758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 822, 823,
igr2= 831, 832,
&end
#
# 14 ILE HG1- 18 ILE QD1 3.50 (# 3762:20 Unique 1.95, 3.08 A)
&rst
ixpk= 3762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 228, 229,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:3763 32 TRP HA 4.50 (# 3763:20 Single 0.00, 0.00 )
&rst
ixpk= 3763, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 581, 539,
&end
#
# 35 TYR HD+ 32 TRP HA 6.00 (# 3765:20 Unique 1.71, 4.59 A)
&rst
ixpk= 3765, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 577,
&end
#
# 19 ILE HB 19 ILE QG2 3.00 (# 3769:20 Unique 2.27, 2.63 A)
&rst
ixpk= 3769, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 306, 307, 308,
&end
#
# 19 ILE HG1+ 19 ILE QD1 3.00 (# 3771:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 310, 311,
igr2= 313, 314, 315,
&end
#
# 18 ILE HB 18 ILE HG1+ 3.00 (# 3772:20 Unique 2.31, 2.71 A)
&rst
ixpk= 3772, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 291, 292,
&end
#
# 62 THR HA 103 ILE QD1 6.00 (# 3777:20 Unique 4.08, 5.51 A)
&rst
ixpk= 3777, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1640,1641,1642,
&end
#
# 62 THR HB 85 ILE QD1 4.00 (# 3778:20 Unique 3.19, 4.26 A)
&rst
ixpk= 3778, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1380,1381,1382,
&end
#
# 45 MET HG+ 45 MET HA 4.00 (# 3781:20 Unique 3.26, 3.77 A)
&rst
ixpk= 3781, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 733, 734,
&end
#
# 50 LYS HG+ 50 LYS HA 3.00 (# 3782:20 Unique 2.20, 2.86 A)
&rst
ixpk= 3782, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 825, 826,
&end
#
# 51 LYS HA 58 ILE HG1- 4.00 (# 3784:20 Unique 2.27, 4.15 A)
&rst
ixpk= 3784, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 968, 969,
&end
#
# 51 LYS HA 58 ILE HG1+ 4.50 (# 3785:20 Unique 2.27, 4.15 A)
&rst
ixpk= 3785, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 968, 969,
&end
#
# 15 GLU HA 15 GLU HG- 3.00 (# 3787:20 Unique 2.80, 3.30 A)
&rst
ixpk= 3787, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 244, 245,
&end
#
# 54 LYS HA 54 LYS HG- 3.80 (# 3788:20 Unique 2.40, 3.22 A)
&rst
ixpk= 3788, nxpk= 20, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 904, 905,
&end
#
# 36 LEU MDY 36 LEU HB- 3.00 (# 3791:20 Unique 1.94, 3.22 A)
&rst
ixpk= 3791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 590, 591, 592, 594, 595, 596,
igr2= 585, 586,
&end
#
# 36 LEU HN 36 LEU HB- 3.50 (# 3792:20 Unique 2.07, 2.54 A)
&rst
ixpk= 3792, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 585, 586,
&end
#
# 36 LEU HB- 36 LEU HG 3.50 (# 3793:20 Unique 2.45, 2.81 A)
&rst
ixpk= 3793, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 585, 586,
&end
#
# 119 TRP HD+ 120 LEU MDY 6.00 (# 3795:20 Unique 3.91, 5.44 A)
&rst
ixpk= 3795, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 68 MET HA 80 VAL MGY 3.00 (# 3796:20 Unique 2.04, 4.20 A)
&rst
ixpk= 3796, nxpk= 20, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 1 MET HG+ 2 ALA MB 6.00 (# 3800:20 Unique 4.34, 5.65 A)
&rst
ixpk= 3800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 11, 12,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:3802 0 AMB 20-1:3802 4.40 (# 3802:20 Double 0.00, 0.00 )
&rst
ixpk= 3802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 421, 487,
igr2= 413, 414, 304,
&end
#
# 102 ALA MB 113 ILE QD1 3.00 (# 3805:20 Unique 1.99, 3.47 A)
&rst
ixpk= 3805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1621,1622,1623,
igr2=1779,1780,1781,
&end
#
# 30 MET HN 30 MET HA 4.00 (# 3806:20 Unique 2.79, 2.80 A)
&rst
ixpk= 3806, nxpk= 20, iat= 470, 472, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3807 0 AMB 20-1:3807 5.00 (# 3807:20 Double 0.00, 0.00 )
&rst
ixpk= 3807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 518, 600,
igr2= 472, 614,
&end
#
# 0 AMB 20-2:3808 0 AMB 20-1:3808 6.00 (# 3808:20 Double 0.00, 0.00 )
&rst
ixpk= 3808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
igr2= 474, 475, 474, 475,
&end
#
# 31 GLY HA+ 34 TYR HB+ 5.00 (# 3812:20 Unique 2.58, 4.22 A)
&rst
ixpk= 3812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 489, 490,
igr2= 543, 544,
&end
#
# 37 ASP HA 37 ASP HB- 3.00 (# 3813:20 Unique 2.24, 2.66 A)
&rst
ixpk= 3813, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 113 ILE QD1 113 ILE HA 4.00 (# 3814:20 Unique 3.76, 4.49 A)
&rst
ixpk= 3814, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1779,1780,1781,
&end
#
# 43 PRO HD- 43 PRO HB+ 4.50 (# 3815:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 699, 700,
&end
#
# 43 PRO HD- 43 PRO HB- 4.50 (# 3816:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 699, 700,
&end
#
# 43 PRO HA 43 PRO HB+ 4.00 (# 3817:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3817, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 699, 700,
&end
#
# 43 PRO HA 43 PRO HB- 4.00 (# 3818:20 Unique 2.30, 2.51 A)
&rst
ixpk= 3818, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 699, 700,
&end
#
# 44 PHE HN 43 PRO HG+ 5.50 (# 3819:20 Unique 4.56, 4.98 A)
&rst
ixpk= 3819, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 696, 697,
&end
#
# 43 PRO HA 43 PRO HD+ 4.50 (# 3820:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3820, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 693, 694,
&end
#
# 105 VAL MGY 44 PHE HB- 4.00 (# 3821:20 Unique 2.37, 5.33 A)
&rst
ixpk= 3821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1664,1665,1666,1668,1669,1670,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:3822 45 MET HB- 6.00 (# 3822:20 Single 0.00, 0.00 )
&rst
ixpk= 3822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1035,1036,1037,1377,1378,
igr2= 730, 731,
&end
#
# 44 PHE HB- 45 MET HG+ 6.50 (# 3823:20 Unique 5.25, 6.48 A)
&rst
ixpk= 3823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 710, 711,
igr2= 733, 734,
&end
#
# 46 GLY HA+ 45 MET HG+ 5.50 (# 3824:20 Unique 3.03, 4.70 A)
&rst
ixpk= 3824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 745, 746,
igr2= 733, 734,
&end
#
# 62 THR HA 47 LYS HA 3.50 (# 3825:20 Unique 2.68, 2.82 A)
&rst
ixpk= 3825, nxpk= 20, iat=1031, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 LYS HG+ 47 LYS HB+ 3.00 (# 3826:20 Unique 2.30, 2.56 A)
&rst
ixpk= 3826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 754, 755,
&end
#
# 101 GLU HN 48 TRP HA 4.00 (# 3827:20 Unique 3.28, 3.44 A)
&rst
ixpk= 3827, nxpk= 20, iat=1602, 774, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3828 0 AMB 20-1:3828 3.50 (# 3828:20 Double 0.00, 0.00 )
&rst
ixpk= 3828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 791, 780,
igr2= 776, 777, 776, 777,
&end
#
# 0 AMB 20-2:3829 48 TRP HB- 3.50 (# 3829:20 Single 0.00, 0.00 )
&rst
ixpk= 3829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 791, 780,
igr2= 776, 777,
&end
#
# 0 AMB 20-2:3830 48 TRP HB- 4.00 (# 3830:20 Single 0.00, 0.00 )
&rst
ixpk= 3830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 780, 789,
igr2= 776, 777,
&end
#
# 0 AMB 20-2:3831 0 AMB 20-1:3831 4.00 (# 3831:20 Double 0.00, 0.00 )
&rst
ixpk= 3831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 780, 789,
igr2= 776, 777, 776, 777,
&end
#
# 0 AMB 20-2:3832 49 LYS HG- 5.00 (# 3832:20 Single 0.00, 0.00 )
&rst
ixpk= 3832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1573, 752,
igr2= 803, 804,
&end
#
# 50 LYS HG+ 50 LYS HD+ 3.00 (# 3833:20 Unique 2.23, 2.62 A)
&rst
ixpk= 3833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 825, 826,
igr2= 828, 829,
&end
#
# 50 LYS HG+ 50 LYS HD- 3.00 (# 3834:20 Unique 2.23, 2.62 A)
&rst
ixpk= 3834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 825, 826,
igr2= 828, 829,
&end
#
# 49 LYS HA 50 LYS HB+ 5.00 (# 3835:20 Unique 4.51, 4.75 A)
&rst
ixpk= 3835, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 822, 823,
&end
#
# 0 AMB 20-2:3836 0 AMB 20-1:3836 8.00 (# 3836:20 Double 0.00, 0.00 )
&rst
ixpk= 3836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
igr1= 935, 946,
igr2= 822, 823, 822, 823,
&end
#
# 49 LYS HA 60 GLU HG+ 4.00 (# 3837:20 Unique 3.14, 3.68 A)
&rst
ixpk= 3837, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 999,1000,
&end
#
# 49 LYS HA 60 GLU HG- 4.70 (# 3838:20 Unique 3.14, 3.68 A)
&rst
ixpk= 3838, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:3839 61 LYS HB- 5.50 (# 3839:20 Single 0.00, 0.00 )
&rst
ixpk= 3839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 780,1482,1491, 789,
igr2=1011,1012,
&end
#
# 0 AMB 20-2:3840 0 AMB 20-1:3840 5.50 (# 3840:20 Double 0.00, 0.00 )
&rst
ixpk= 3840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 780,1482,1491, 789,
igr2=1011,1012,1011,1012,1011,1012,
&end
#
# 48 TRP HB+ 61 LYS HD+ 5.50 (# 3841:20 Unique 3.93, 5.07 A)
&rst
ixpk= 3841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 776, 777,
igr2=1017,1018,
&end
#
# 82 VAL MGX 63 VAL HB 4.00 (# 3845:20 Unique 1.81, 3.13 A)
&rst
ixpk= 3845, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:3846 63 VAL MGX 6.00 (# 3846:20 Single 0.00, 0.00 )
&rst
ixpk= 3846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1482,1491, 789,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 93 TYR HA 94 THR MG2 6.00 (# 3847:20 Unique 5.56, 6.25 A)
&rst
ixpk= 3847, nxpk= 20, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1501,1502,1503,
&end
#
# 0 AMB 20-2:3848 0 AMB 20-1:3848 3.00 (# 3848:20 Double 0.00, 0.00 )
&rst
ixpk= 3848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1090, 518,
igr2=1076, 520,
&end
#
# 34 TYR HN 33 TYR HA 4.00 (# 3849:20 Unique 3.56, 3.57 A)
&rst
ixpk= 3849, nxpk= 20, iat= 539, 520, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3850 0 AMB 20-1:3850 6.00 (# 3850:20 Double 0.00, 0.00 )
&rst
ixpk= 3850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
igr1=1460,1758, 674,
igr2=1099,1100,1101,1103,1104,1105, 291, 292,1097,
&end
#
# 81 GLU HN 0 AMB 20-1:3851 6.00 (# 3851:20 Single 0.00, 0.00 )
&rst
ixpk= 3851, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 81 GLU HA 0 AMB 20-1:3853 6.00 (# 3853:20 Single 0.00, 0.00 )
&rst
ixpk= 3853, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 42 PHE HD- 67 GLY HA- 4.40 (# 3855:20 Unique 1.96, 3.65 A)
&rst
ixpk= 3855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 680, 688,
igr2=1111,1112,
&end
#
# 80 VAL HA 69 ALA HA 5.00 (# 3856:20 Unique 3.67, 4.54 A)
&rst
ixpk= 3856, nxpk= 20, iat=1300,1135, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 81 GLU HB- 69 ALA HA 5.50 (# 3857:20 Unique 3.74, 4.90 A)
&rst
ixpk= 3857, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1318,1319,
&end
#
# 79 TYR HE 69 ALA MB 6.00 (# 3858:20 Unique 1.93, 6.47 A)
&rst
ixpk= 3858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1287,1292,
igr2=1137,1138,1139,
&end
#
# 79 TYR HA 69 ALA MB 6.00 (# 3859:20 Unique 4.18, 6.50 A)
&rst
ixpk= 3859, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1137,1138,1139,
&end
#
# 33 TYR HB- 75 LEU MDX 6.00 (# 3861:20 Unique 6.63, 9.21 A)
&rst
ixpk= 3861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 522, 523,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 73 GLU HG- 75 LEU MDX 7.60 (# 3862:20 Unique 6.03, 8.20 A)
&rst
ixpk= 3862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.50, r4=12.00,
igr1=1188,1189,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 30 MET HB+ 75 LEU MDY 7.00 (# 3864:20 Unique 6.42, 8.63 A)
&rst
ixpk= 3864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 474, 475,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HN 76 LYS HB- 5.50 (# 3865:20 Unique 4.05, 5.13 A)
&rst
ixpk= 3865, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1230,1231,
&end
#
# 77 ASP HN 78 MET ME 6.00 (# 3866:20 Unique 4.11, 5.26 A)
&rst
ixpk= 3866, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1271,1272,1273,
&end
#
# 80 VAL MGX 80 VAL HA 4.00 (# 3867:20 Unique 2.03, 3.55 A)
&rst
ixpk= 3867, nxpk= 20, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 82 VAL HN 81 GLU HB- 4.50 (# 3868:20 Unique 3.60, 4.13 A)
&rst
ixpk= 3868, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1318,1319,
&end
#
# 0 AMB 20-2:3870 0 AMB 20-1:3870 4.00 (# 3870:20 Double 0.00, 0.00 )
&rst
ixpk= 3870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1321,1322,1321,1322,
&end
#
# 0 AMB 20-2:3871 82 VAL MGY 6.00 (# 3871:20 Single 0.00, 0.00 )
&rst
ixpk= 3871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1482,1491, 789,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 66 LEU HN 83 ALA MB 6.00 (# 3872:20 Unique 5.45, 7.04 A)
&rst
ixpk= 3872, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1349,1350,1351,
&end
#
# 84 ASP HB+ 84 ASP HA 3.00 (# 3873:20 Unique 2.24, 2.64 A)
&rst
ixpk= 3873, nxpk= 20, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1359,1360,
&end
#
# 0 AMB 20-2:3875 84 ASP HB- 5.00 (# 3875:20 Single 0.00, 0.00 )
&rst
ixpk= 3875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1407,1408,1349,1350,1351,
igr2=1359,1360,
&end
#
# 85 ILE HB 85 ILE HG1+ 3.00 (# 3876:20 Unique 2.47, 2.76 A)
&rst
ixpk= 3876, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1377,1378,
&end
#
# 83 ALA MB 92 VAL MGX 3.00 (# 3877:20 Unique 1.92, 5.30 A)
&rst
ixpk= 3877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1349,1350,1351,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 81 GLU HB+ 92 VAL MGX 4.00 (# 3878:20 Unique 2.40, 5.63 A)
&rst
ixpk= 3878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1318,1319,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 81 GLU HB- 94 THR MG2 5.00 (# 3880:20 Unique 4.13, 5.36 A)
&rst
ixpk= 3880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1318,1319,
igr2=1501,1502,1503,
&end
#
# 48 TRP HD- 0 AMB 20-1:3881 5.50 (# 3881:20 Single 0.00, 0.00 )
&rst
ixpk= 3881, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1573, 752,
&end
#
# 0 AMB 20-2:3882 0 AMB 20-1:3882 5.50 (# 3882:20 Double 0.00, 0.00 )
&rst
ixpk= 3882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 780, 791, 780,
igr2=1573, 752,
&end
#
# 100 ILE HG1- 100 ILE QG2 4.00 (# 3883:20 Unique 2.37, 3.41 A)
&rst
ixpk= 3883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1593,1594,
igr2=1589,1590,1591,
&end
#
# 44 PHE HD+ 103 ILE QG2 6.00 (# 3885:20 Unique 5.98, 9.14 A)
&rst
ixpk= 3885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 714, 722,
igr2=1633,1634,1635,
&end
#
# 102 ALA HA 103 ILE QG2 6.00 (# 3886:20 Unique 5.85, 6.50 A)
&rst
ixpk= 3886, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1633,1634,1635,
&end
#
# 46 GLY HA+ 103 ILE QG2 6.00 (# 3887:20 Unique 4.65, 6.32 A)
&rst
ixpk= 3887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 745, 746,
igr2=1633,1634,1635,
&end
#
# 45 MET HB- 103 ILE QG2 5.00 (# 3888:20 Unique 4.23, 5.59 A)
&rst
ixpk= 3888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 730, 731,
igr2=1633,1634,1635,
&end
#
# 105 VAL MGX 105 VAL HB 3.00 (# 3889:20 Unique 2.27, 2.63 A)
&rst
ixpk= 3889, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 109 THR HN 109 THR HA 4.00 (# 3890:20 Unique 2.77, 2.79 A)
&rst
ixpk= 3890, nxpk= 20, iat=1710,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:3891 109 THR HA 5.00 (# 3891:20 Single 0.00, 0.00 )
&rst
ixpk= 3891, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 657,1756,
&end
#
# 0 AMB 20-2:3892 110 GLN HA 5.50 (# 3892:20 Single 0.00, 0.00 )
&rst
ixpk= 3892, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1840,1841,1842,1844,1845,1846,1550,1551,1552,1554,
1555,1556,
&end
#
# 35 TYR HD+ 112 ALA HA 6.00 (# 3893:20 Unique 5.30, 8.83 A)
&rst
ixpk= 3893, nxpk= 20, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 568, 577,
&end
#
# 115 ASP HN 117 LEU MDX 5.00 (# 3895:20 Unique 4.89, 7.15 A)
&rst
ixpk= 3895, nxpk= 20, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 119 TRP HE1 120 LEU HA 4.50 (# 3896:20 Unique 3.51, 3.80 A)
&rst
ixpk= 3896, nxpk= 20, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLU HB+ 23 GLU HA 3.60 (# 3897:20 Unique 2.39, 2.73 A)
&rst
ixpk= 3897, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 361, 362,
&end
#
# 81 GLU HB+ 92 VAL MGY 3.00 (# 3902:20 Unique 2.40, 5.63 A)
&rst
ixpk= 3902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1318,1319,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 126 PHE HN 120 LEU MDY 7.00 (# 3903:20 Unique 5.36, 8.42 A)
&rst
ixpk= 3903, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 125 LYS HN 120 LEU MDY 6.50 (# 3904:20 Unique 4.77, 7.36 A)
&rst
ixpk= 3904, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 126 PHE HN 120 LEU MDX 6.00 (# 3905:20 Unique 5.36, 8.42 A)
&rst
ixpk= 3905, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 125 LYS HN 120 LEU MDX 5.20 (# 3906:20 Unique 4.77, 7.36 A)
&rst
ixpk= 3906, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 58 ILE HG1+ 57 THR HA 5.00 (# 3907:20 Unique 4.27, 4.94 A)
&rst
ixpk= 3907, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 968, 969,
&end
#
# 66 LEU HB+ 66 LEU HA 3.50 (# 3908:20 Unique 2.31, 2.78 A)
&rst
ixpk= 3908, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1094,1095,
&end
#
# 0 AMB 20-2:3909 0 AMB 20-1:3909 5.00 (# 3909:20 Double 0.00, 0.00 )
&rst
ixpk= 3909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1664,1665,1666,1668,1669,1670, 590, 591, 592, 594,
595, 596,
igr2=1650,1651, 676, 677,
&end
#
# 0 AMB 20-2:3910 0 AMB 20-1:3910 5.00 (# 3910:20 Double 0.00, 0.00 )
&rst
ixpk= 3910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 960, 875, 254,
igr2= 981, 982, 981, 982, 270, 271,
&end
#
# 58 ILE HA 59 GLU HB- 6.00 (# 3911:20 Unique 4.25, 4.99 A)
&rst
ixpk= 3911, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:3913 0 AMB 20-1:3913 4.00 (# 3913:20 Double 0.00, 0.00 )
&rst
ixpk= 3913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 791,1482,1491,
igr2=1020,1021,1020,1021,
&end
#
# 0 AMB 20-2:3914 61 LYS HE- 6.00 (# 3914:20 Single 0.00, 0.00 )
&rst
ixpk= 3914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 791,1482,1491,
igr2=1020,1021,
&end
#
# 44 PHE HE- 40 LEU HB- 6.00 (# 3915:20 Unique 2.48, 5.45 A)
&rst
ixpk= 3915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 716, 720,
igr2= 642, 643,
&end
#
# 2 ALA HA 122 ARG HA 6.00 (# 3917:20 Unique 4.12, 4.64 A)
&rst
ixpk= 3917, nxpk= 20, iat= 23,1926, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 TRP HZ2 18 ILE QD1 7.20 (# 3918:20 Unique 2.99, 4.46 A)
&rst
ixpk= 3918, nxpk= 20, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr2= 294, 295, 296,
&end
#
# 18 ILE QG2 14 ILE QD1 6.00 (# 3919:20 Unique 4.17, 6.79 A)
&rst
ixpk= 3919, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 287, 288, 289,
igr2= 231, 232, 233,
&end
#
# 35 TYR HE- 18 ILE QG2 6.00 (# 3920:20 Unique 2.52, 5.78 A)
&rst
ixpk= 3920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 570, 575,
igr2= 287, 288, 289,
&end
#
# 76 LYS HB- 76 LYS HA 3.00 (# 3921:20 Unique 2.27, 2.61 A)
&rst
ixpk= 3921, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1230,1231,
&end
#
# 58 ILE QG2 58 ILE HG1+ 3.00 (# 3922:20 Unique 2.52, 3.61 A)
&rst
ixpk= 3922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 964, 965, 966,
igr2= 968, 969,
&end
#
# 58 ILE QD1 58 ILE HG1- 3.00 (# 3923:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 971, 972, 973,
igr2= 968, 969,
&end
#
# 4 VAL MGX 3 SER HA 4.80 (# 3924:20 Unique 4.13, 6.01 A)
&rst
ixpk= 3924, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 32 TRP HB- 78 MET ME 3.00 (# 3925:20 Unique 1.94, 3.52 A)
&rst
ixpk= 3925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 498, 499,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:3926 74 CYS HA 6.60 (# 3926:20 Single 0.00, 0.00 )
&rst
ixpk= 3926, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1233,1234,1211,1212,
&end
#
# 40 LEU HN 38 ASP HB+ 6.00 (# 3927:20 Unique 4.95, 5.64 A)
&rst
ixpk= 3927, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 616, 617,
&end
#
# 43 PRO HA 66 LEU MDX 6.00 (# 3928:20 Unique 4.39, 6.69 A)
&rst
ixpk= 3928, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 0 AMB 20-2:3929 126 PHE HB- 5.00 (# 3929:20 Single 0.00, 0.00 )
&rst
ixpk= 3929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 386, 6,
igr2=2002,2003,
&end
#
# 0 AMB 20-2:3932 9 THR HA 7.00 (# 3932:20 Single 0.00, 0.00 )
&rst
ixpk= 3932, nxpk= 20, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 65, 66, 101, 102, 166, 167,
&end
#
# 14 ILE HN 15 GLU HB+ 6.00 (# 3934:20 Unique 4.79, 5.34 A)
&rst
ixpk= 3934, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 241, 242,
&end
#
# 14 ILE HN 15 GLU HB- 5.00 (# 3935:20 Unique 4.79, 5.34 A)
&rst
ixpk= 3935, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 241, 242,
&end
#
# 110 GLN HA 102 ALA MB 4.00 (# 3936:20 Unique 2.45, 3.20 A)
&rst
ixpk= 3936, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1621,1622,1623,
&end
#
# 17 GLU HB+ 18 ILE QD1 5.00 (# 3939:20 Unique 4.01, 5.80 A)
&rst
ixpk= 3939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 270, 271,
igr2= 294, 295, 296,
&end
#
# 97 LEU HN 97 LEU MDX 4.00 (# 3942:20 Unique 1.86, 3.39 A)
&rst
ixpk= 3942, nxpk= 20, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 48 TRP HD- 48 TRP HA 3.50 (# 3943:20 Unique 2.56, 2.74 A)
&rst
ixpk= 3943, nxpk= 20, iat= 780, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HN 100 ILE HA 4.00 (# 3945:20 Unique 2.30, 2.53 A)
&rst
ixpk= 3945, nxpk= 20, iat= 796,1585, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
# 2017 atoms read from pdb file prm1.pdb.
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