NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
480595 |
2p0q   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 44 PHE HN 43 PRO HA 2.80 (# 0:20 Unique 2.24, 2.28 A)
&rst
ixpk= 0, nxpk= 20, iat= 706, 702, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 76 LYS HN 74 CYS HA 4.00 (# 1:20 Unique 3.07, 3.24 A)
&rst
ixpk= 1, nxpk= 20, iat=1226,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HN 74 CYS HA 4.00 (# 2:20 Unique 2.98, 3.66 A)
&rst
ixpk= 2, nxpk= 20, iat=1248,1198, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 LEU HN 74 CYS HA 3.20 (# 3:20 Unique 2.27, 2.44 A)
&rst
ixpk= 3, nxpk= 20, iat=1207,1198, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 84 ASP HA 63 VAL HA 3.00 (# 5:20 Unique 2.51, 2.86 A)
&rst
ixpk= 5, nxpk= 20, iat=1357,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HN 100 ILE HA 3.50 (# 6:20 Unique 2.91, 2.92 A)
&rst
ixpk= 6, nxpk= 20, iat=1583,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 GLU HN 100 ILE HA 2.80 (# 7:20 Unique 2.35, 2.37 A)
&rst
ixpk= 7, nxpk= 20, iat=1602,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HA 100 ILE HA 2.80 (# 8:20 Unique 1.83, 1.87 A)
&rst
ixpk= 8, nxpk= 20, iat= 774,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 ALA HN 82 VAL HA 3.00 (# 9:20 Unique 2.26, 2.42 A)
&rst
ixpk= 9, nxpk= 20, iat=1345,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 66 LEU HN 82 VAL HA 3.80 (# 10:20 Unique 2.34, 3.09 A)
&rst
ixpk= 10, nxpk= 20, iat=1090,1331, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 TYR HN 79 TYR HA 3.80 (# 11:20 Unique 2.91, 2.92 A)
&rst
ixpk= 11, nxpk= 20, iat=1277,1279, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 80 VAL HN 79 TYR HA 3.00 (# 12:20 Unique 2.28, 2.46 A)
&rst
ixpk= 12, nxpk= 20, iat=1298,1279, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 LEU HN 79 TYR HA 4.00 (# 13:20 Unique 3.04, 3.72 A)
&rst
ixpk= 13, nxpk= 20, iat=1541,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 TYR HD 79 TYR HA 4.00 (# 14:20 Unique 3.14, 3.70 A)
&rst
ixpk= 14, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1285,1294,
&end
#
# 45 MET HN 44 PHE HA 2.80 (# 16:20 Unique 2.15, 2.18 A)
&rst
ixpk= 16, nxpk= 20, iat= 726, 708, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 PHE HN 44 PHE HA 3.00 (# 17:20 Unique 2.86, 2.87 A)
&rst
ixpk= 17, nxpk= 20, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 PHE HD 44 PHE HA 4.00 (# 18:20 Unique 3.82, 4.15 A)
&rst
ixpk= 18, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 714, 722,
&end
#
# 0 AMB 20-2:19 99 ASP HA 3.00 (# 19:20 Single 0.00, 0.00 )
&rst
ixpk= 19, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1583,1571,
&end
#
# 0 AMB 20-2:20 0 AMB 20-1:20 4.00 (# 20:20 Double 0.00, 0.00 )
&rst
ixpk= 20, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1007, 796,
igr2= 752,1573,
&end
#
# 47 LYS HN 47 LYS HA 3.00 (# 21:20 Unique 2.84, 2.91 A)
&rst
ixpk= 21, nxpk= 20, iat= 750, 752, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 48 TRP HN 47 LYS HA 2.80 (# 22:20 Unique 2.16, 2.17 A)
&rst
ixpk= 22, nxpk= 20, iat= 772, 752, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 VAL HN 47 LYS HA 4.00 (# 23:20 Unique 3.43, 3.72 A)
&rst
ixpk= 23, nxpk= 20, iat=1043, 752, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 49 LYS HN 48 TRP HA 2.80 (# 25:20 Unique 2.20, 2.21 A)
&rst
ixpk= 25, nxpk= 20, iat= 796, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HD1 48 TRP HA 3.00 (# 26:20 Unique 2.56, 2.74 A)
&rst
ixpk= 26, nxpk= 20, iat= 780, 774, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 VAL HN 45 MET HA 3.00 (# 28:20 Unique 2.38, 2.58 A)
&rst
ixpk= 28, nxpk= 20, iat=1074, 728, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 MET HN 45 MET HA 3.50 (# 29:20 Unique 2.87, 2.88 A)
&rst
ixpk= 29, nxpk= 20, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 GLY HN 45 MET HA 2.80 (# 30:20 Unique 2.18, 2.24 A)
&rst
ixpk= 30, nxpk= 20, iat= 743, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HN 48 TRP HA 3.80 (# 31:20 Unique 2.84, 2.85 A)
&rst
ixpk= 31, nxpk= 20, iat= 772, 774, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 100 ILE HA 48 TRP HA 2.80 (# 32:20 Unique 1.83, 1.87 A)
&rst
ixpk= 32, nxpk= 20, iat=1585, 774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 LYS HN 46 GLY HA- 3.00 (# 33:20 Unique 2.15, 2.59 A)
&rst
ixpk= 33, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 745, 746,
&end
#
# 103 ILE HN 46 GLY HA- 3.50 (# 34:20 Unique 1.97, 2.89 A)
&rst
ixpk= 34, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 746,
&end
#
# 42 PHE HB- 43 PRO HA 4.00 (# 35:20 Unique 2.60, 3.40 A)
&rst
ixpk= 35, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 676, 677,
&end
#
# 42 PHE HB+ 43 PRO HA 4.00 (# 36:20 Unique 2.60, 3.40 A)
&rst
ixpk= 36, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 676, 677,
&end
#
# 43 PRO HB+ 43 PRO HA 3.00 (# 37:20 Unique 2.30, 2.51 A)
&rst
ixpk= 37, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 699, 700,
&end
#
# 43 PRO HB- 43 PRO HA 3.00 (# 38:20 Unique 2.30, 2.51 A)
&rst
ixpk= 38, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 699, 700,
&end
#
# 0 AMB 20-2:39 43 PRO HA 4.00 (# 39:20 Single 0.00, 0.00 )
&rst
ixpk= 39, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 696, 697, 696, 697,1066,1067,
&end
#
# 94 THR MG2 94 THR HA 3.00 (# 40:20 Unique 2.02, 2.85 A)
&rst
ixpk= 40, nxpk= 20, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1501,1502,1503,
&end
#
# 95 ALA MB 94 THR HA 6.00 (# 41:20 Unique 4.39, 5.02 A)
&rst
ixpk= 41, nxpk= 20, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1513,1514,1515,
&end
#
# 94 THR HB 94 THR HA 3.50 (# 42:20 Unique 2.92, 2.96 A)
&rst
ixpk= 42, nxpk= 20, iat=1499,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 CYS HB+ 74 CYS HA 3.00 (# 43:20 Unique 2.38, 2.57 A)
&rst
ixpk= 43, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1200,1201,
&end
#
# 0 AMB 20-2:44 74 CYS HA 4.00 (# 44:20 Single 0.00, 0.00 )
&rst
ixpk= 44, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1271,1272,1273,1188,1189,1185,1186,
&end
#
# 74 CYS HB- 74 CYS HA 3.00 (# 45:20 Unique 2.38, 2.57 A)
&rst
ixpk= 45, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1200,1201,
&end
#
# 63 VAL HB 63 VAL HA 3.00 (# 46:20 Unique 2.35, 2.51 A)
&rst
ixpk= 46, nxpk= 20, iat=1047,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HG1- 100 ILE HA 3.00 (# 47:20 Unique 1.95, 2.62 A)
&rst
ixpk= 47, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 100 ILE HB 100 ILE HA 3.50 (# 48:20 Unique 2.59, 2.73 A)
&rst
ixpk= 48, nxpk= 20, iat=1587,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ILE QG2 100 ILE HA 3.00 (# 49:20 Unique 3.35, 3.78 A)
&rst
ixpk= 49, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1589,1590,1591,
&end
#
# 100 ILE QD1 100 ILE HA 3.00 (# 50:20 Unique 2.34, 3.97 A)
&rst
ixpk= 50, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1596,1597,1598,
&end
#
# 82 VAL MGX 82 VAL HA 4.00 (# 52:20 Unique 2.16, 3.41 A)
&rst
ixpk= 52, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 65 VAL HA 82 VAL HA 3.00 (# 53:20 Unique 2.01, 2.51 A)
&rst
ixpk= 53, nxpk= 20, iat=1076,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:54 82 VAL HA 4.00 (# 54:20 Single 0.00, 0.00 )
&rst
ixpk= 54, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1047,1066,1067,1302,
&end
#
# 82 VAL MGY 82 VAL HA 3.00 (# 55:20 Unique 2.16, 3.41 A)
&rst
ixpk= 55, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HB 82 VAL HA 3.00 (# 56:20 Unique 2.36, 2.57 A)
&rst
ixpk= 56, nxpk= 20, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 83 ALA MB 82 VAL HA 4.00 (# 57:20 Unique 4.20, 4.84 A)
&rst
ixpk= 57, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1349,1350,1351,
&end
#
# 66 LEU MDY 82 VAL HA 3.00 (# 58:20 Unique 2.10, 4.26 A)
&rst
ixpk= 58, nxpk= 20, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1099,1100,1101,1103,1104,1105,
&end
#
# 96 LYS HA 79 TYR HA 5.00 (# 59:20 Unique 6.07, 6.38 A)
&rst
ixpk= 59, nxpk= 20, iat=1521,1279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:60 79 TYR HA 4.00 (# 60:20 Single 0.00, 0.00 )
&rst
ixpk= 60, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1501,1502,1503,1526,1527,
&end
#
# 0 AMB 20-2:61 79 TYR HA 3.00 (# 61:20 Single 0.00, 0.00 )
&rst
ixpk= 61, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1281,1282,1281,1282,
&end
#
# 80 VAL MGX 79 TYR HA 3.00 (# 62:20 Unique 3.08, 4.69 A)
&rst
ixpk= 62, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 20-2:63 44 PHE HA 4.50 (# 63:20 Single 0.00, 0.00 )
&rst
ixpk= 63, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 664, 665, 730, 731,
&end
#
# 0 AMB 20-2:64 44 PHE HA 3.00 (# 64:20 Single 0.00, 0.00 )
&rst
ixpk= 64, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 710, 711, 710, 711,
&end
#
# 0 AMB 20-2:65 44 PHE HA 5.00 (# 65:20 Single 0.00, 0.00 )
&rst
ixpk= 65, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 730, 731, 696, 697,
&end
#
# 105 VAL MGY 44 PHE HA 4.00 (# 66:20 Unique 4.30, 6.62 A)
&rst
ixpk= 66, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 99 ASP HB+ 99 ASP HA 3.00 (# 67:20 Unique 2.62, 2.82 A)
&rst
ixpk= 67, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1575,1576,
&end
#
# 99 ASP HB- 99 ASP HA 3.00 (# 68:20 Unique 2.62, 2.82 A)
&rst
ixpk= 68, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1575,1576,
&end
#
# 0 AMB 20-2:69 47 LYS HA 3.00 (# 69:20 Single 0.00, 0.00 )
&rst
ixpk= 69, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,1593,1594,
&end
#
# 47 LYS HB- 47 LYS HA 3.00 (# 70:20 Unique 2.73, 2.85 A)
&rst
ixpk= 70, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 754, 755,
&end
#
# 0 AMB 20-2:71 47 LYS HA 4.00 (# 71:20 Single 0.00, 0.00 )
&rst
ixpk= 71, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 745, 746, 776, 777,
&end
#
# 0 AMB 20-2:72 0 AMB 20-1:72 5.00 (# 72:20 Double 0.00, 0.00 )
&rst
ixpk= 72, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1035,1036,1037, 803, 804,
igr2= 752,1573,
&end
#
# 63 VAL MGX 47 LYS HA 5.00 (# 73:20 Unique 3.96, 5.77 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 100 ILE QD1 48 TRP HA 3.00 (# 74:20 Unique 1.89, 3.83 A)
&rst
ixpk= 74, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1596,1597,1598,
&end
#
# 48 TRP HB- 48 TRP HA 3.00 (# 75:20 Unique 2.51, 2.78 A)
&rst
ixpk= 75, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 776, 777,
&end
#
# 45 MET HB- 45 MET HA 3.00 (# 76:20 Unique 2.23, 2.49 A)
&rst
ixpk= 76, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 730, 731,
&end
#
# 0 AMB 20-2:77 45 MET HA 3.00 (# 77:20 Single 0.00, 0.00 )
&rst
ixpk= 77, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 730, 731, 737, 738, 739,
&end
#
# 0 AMB 20-2:78 45 MET HA 5.00 (# 78:20 Single 0.00, 0.00 )
&rst
ixpk= 78, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1078,1640,1641,1642,
&end
#
# 45 MET HG- 45 MET HA 3.00 (# 79:20 Unique 3.26, 3.77 A)
&rst
ixpk= 79, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 733, 734,
&end
#
# 0 AMB 20-2:80 45 MET HA 4.00 (# 80:20 Single 0.00, 0.00 )
&rst
ixpk= 80, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
&end
#
# 48 TRP HB+ 48 TRP HA 3.50 (# 81:20 Unique 2.51, 2.78 A)
&rst
ixpk= 81, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 776, 777,
&end
#
# 84 ASP HB+ 83 ALA HA 5.00 (# 82:20 Unique 4.35, 4.97 A)
&rst
ixpk= 82, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1359,1360,
&end
#
# 0 AMB 20-2:83 83 ALA HA 5.00 (# 83:20 Single 0.00, 0.00 )
&rst
ixpk= 83, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,1450,1451,
&end
#
# 83 ALA MB 83 ALA HA 3.00 (# 84:20 Unique 2.29, 2.63 A)
&rst
ixpk= 84, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1349,1350,1351,
&end
#
# 0 AMB 20-2:85 83 ALA HA 3.00 (# 85:20 Single 0.00, 0.00 )
&rst
ixpk= 85, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 0 AMB 20-2:87 46 GLY HA- 4.00 (# 87:20 Single 0.00, 0.00 )
&rst
ixpk= 87, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
igr2= 745, 746,
&end
#
# 45 MET ME 46 GLY HA- 4.50 (# 88:20 Unique 2.34, 3.92 A)
&rst
ixpk= 88, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 737, 738, 739,
igr2= 745, 746,
&end
#
# 100 ILE QG2 46 GLY HA- 3.00 (# 89:20 Unique 2.36, 4.37 A)
&rst
ixpk= 89, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1589,1590,1591,
igr2= 745, 746,
&end
#
# 0 AMB 20-2:91 57 THR HB 4.50 (# 91:20 Single 0.00, 0.00 )
&rst
ixpk= 91, nxpk= 20, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 950, 951, 952, 925, 926, 927,
&end
#
# 55 THR MG2 55 THR HB 4.50 (# 92:20 Unique 2.24, 2.64 A)
&rst
ixpk= 92, nxpk= 20, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 925, 926, 927,
&end
#
# 94 THR MG2 94 THR HB 3.00 (# 93:20 Unique 2.23, 2.64 A)
&rst
ixpk= 93, nxpk= 20, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1501,1502,1503,
&end
#
# 39 THR MG2 39 THR HB 3.00 (# 94:20 Unique 2.26, 2.64 A)
&rst
ixpk= 94, nxpk= 20, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 630, 631, 632,
&end
#
# 0 AMB 20-2:95 62 THR HB 3.00 (# 95:20 Single 0.00, 0.00 )
&rst
ixpk= 95, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1377,1378,1035,1036,1037,
&end
#
# 85 ILE QD1 62 THR HB 4.00 (# 96:20 Unique 3.19, 4.26 A)
&rst
ixpk= 96, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1380,1381,1382,
&end
#
# 9 THR MG2 9 THR HB 3.00 (# 97:20 Unique 2.24, 2.64 A)
&rst
ixpk= 97, nxpk= 20, iat= -1, 128, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 130, 131, 132,
&end
#
# 9 THR HA 9 THR HB 3.00 (# 98:20 Unique 2.57, 2.63 A)
&rst
ixpk= 98, nxpk= 20, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 ALA MB 109 THR HA 4.00 (# 99:20 Unique 2.69, 3.81 A)
&rst
ixpk= 99, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1760,1761,1762,
&end
#
# 40 LEU MDY 109 THR HA 3.00 (# 100:20 Unique 1.91, 4.31 A)
&rst
ixpk= 100, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 109 THR MG2 109 THR HA 3.00 (# 101:20 Unique 2.47, 3.20 A)
&rst
ixpk= 101, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1716,1717,1718,
&end
#
# 113 ILE HG1+ 113 ILE HA 3.00 (# 102:20 Unique 2.16, 2.73 A)
&rst
ixpk= 102, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1776,1777,
&end
#
# 113 ILE HB 113 ILE HA 3.00 (# 103:20 Unique 3.01, 3.01 A)
&rst
ixpk= 103, nxpk= 20, iat=1770,1768, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 113 ILE QG2 113 ILE HA 3.00 (# 104:20 Unique 2.38, 3.18 A)
&rst
ixpk= 104, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1772,1773,1774,
&end
#
# 113 ILE HG1- 113 ILE HA 3.00 (# 105:20 Unique 2.16, 2.73 A)
&rst
ixpk= 105, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1776,1777,
&end
#
# 9 THR HB 9 THR HA 3.00 (# 106:20 Unique 2.57, 2.63 A)
&rst
ixpk= 106, nxpk= 20, iat= 128, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 HIS HB+ 9 THR HA 4.00 (# 107:20 Unique 4.30, 5.31 A)
&rst
ixpk= 107, nxpk= 20, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 181, 182,
&end
#
# 13 ARG HG+ 9 THR HA 4.30 (# 108:20 Unique 1.92, 2.61 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 201, 202,
&end
#
# 0 AMB 20-2:109 14 ILE HA 5.00 (# 109:20 Single 0.00, 0.00 )
&rst
ixpk= 109, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 224, 225, 226, 285,
&end
#
# 18 ILE QD1 14 ILE HA 3.00 (# 110:20 Unique 2.63, 3.83 A)
&rst
ixpk= 110, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 294, 295, 296,
&end
#
# 39 THR MG2 39 THR HA 3.00 (# 111:20 Unique 2.44, 3.23 A)
&rst
ixpk= 111, nxpk= 20, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 630, 631, 632,
&end
#
# 18 ILE HG1+ 18 ILE HA 5.00 (# 112:20 Unique 2.37, 2.75 A)
&rst
ixpk= 112, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 291, 292,
&end
#
# 18 ILE HB 18 ILE HA 5.00 (# 113:20 Unique 3.00, 3.01 A)
&rst
ixpk= 113, nxpk= 20, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ILE QG2 18 ILE HA 5.00 (# 114:20 Unique 2.36, 3.20 A)
&rst
ixpk= 114, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 287, 288, 289,
&end
#
# 70 PRO HB+ 70 PRO HA 3.00 (# 115:20 Unique 2.30, 2.51 A)
&rst
ixpk= 115, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1150,1151,
&end
#
# 0 AMB 20-2:116 70 PRO HA 4.00 (# 116:20 Single 0.00, 0.00 )
&rst
ixpk= 116, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1147,1148,1185,1186,
&end
#
# 56 SER HA 52 SER HB+ 5.50 (# 117:20 Unique 3.12, 4.62 A)
&rst
ixpk= 117, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 866, 867,
&end
#
# 0 AMB 20-2:118 0 AMB 20-1:118 6.50 (# 118:20 Double 0.00, 0.00 )
&rst
ixpk= 118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1= 925, 926, 927, 950, 951, 952,
igr2= 866, 867, 866, 867,
&end
#
# 52 SER HA 52 SER HB+ 4.50 (# 119:20 Unique 2.34, 2.76 A)
&rst
ixpk= 119, nxpk= 20, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 866, 867,
&end
#
# 3 SER HA 3 SER HB+ 3.00 (# 120:20 Unique 2.32, 2.62 A)
&rst
ixpk= 120, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 35, 36,
&end
#
# 70 PRO HB- 70 PRO HA 3.00 (# 121:20 Unique 2.30, 2.51 A)
&rst
ixpk= 121, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1150,1151,
&end
#
# 70 PRO HG+ 70 PRO HA 4.00 (# 122:20 Unique 3.85, 3.94 A)
&rst
ixpk= 122, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1147,1148,
&end
#
# 0 AMB 20-2:123 16 THR HA 3.00 (# 123:20 Single 0.00, 0.00 )
&rst
ixpk= 123, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 20 VAL HB 16 THR HA 4.00 (# 124:20 Unique 3.88, 4.71 A)
&rst
ixpk= 124, nxpk= 20, iat= 323, 254, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 THR MG2 16 THR HA 3.00 (# 125:20 Unique 2.53, 3.25 A)
&rst
ixpk= 125, nxpk= 20, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 258, 259, 260,
&end
#
# 56 SER HA 56 SER HB- 3.00 (# 126:20 Unique 2.27, 2.73 A)
&rst
ixpk= 126, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 937, 938,
&end
#
# 56 SER HA 56 SER HB+ 3.00 (# 127:20 Unique 2.27, 2.73 A)
&rst
ixpk= 127, nxpk= 20, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 937, 938,
&end
#
# 33 TYR HB+ 33 TYR HA 3.20 (# 128:20 Unique 2.32, 2.69 A)
&rst
ixpk= 128, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 522, 523,
&end
#
# 78 MET ME 33 TYR HA 4.50 (# 129:20 Unique 2.99, 3.96 A)
&rst
ixpk= 129, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1271,1272,1273,
&end
#
# 33 TYR HB- 33 TYR HA 3.50 (# 130:20 Unique 2.32, 2.69 A)
&rst
ixpk= 130, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 522, 523,
&end
#
# 68 MET ME 33 TYR HA 4.00 (# 131:20 Unique 2.33, 3.62 A)
&rst
ixpk= 131, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1127,1128,1129,
&end
#
# 20 VAL HB 20 VAL HA 3.00 (# 132:20 Unique 2.68, 2.99 A)
&rst
ixpk= 132, nxpk= 20, iat= 323, 321, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:133 20 VAL HA 3.00 (# 133:20 Single 0.00, 0.00 )
&rst
ixpk= 133, nxpk= 20, iat= -1, 321, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 0 AMB 20-2:134 0 AMB 20-1:134 3.80 (# 134:20 Double 0.00, 0.00 )
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
1309,1310,
igr2=1564,1565,1564,1565,
&end
#
# 65 VAL MGY 65 VAL HA 3.00 (# 135:20 Unique 2.18, 3.16 A)
&rst
ixpk= 135, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:136 65 VAL HA 3.00 (# 136:20 Single 0.00, 0.00 )
&rst
ixpk= 136, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
1085,1086,
&end
#
# 34 TYR HB- 34 TYR HA 3.00 (# 137:20 Unique 2.64, 2.82 A)
&rst
ixpk= 137, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 543, 544,
&end
#
# 37 ASP HB+ 34 TYR HA 4.00 (# 138:20 Unique 3.17, 4.51 A)
&rst
ixpk= 138, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 604, 605,
&end
#
# 34 TYR HB+ 34 TYR HA 3.00 (# 139:20 Unique 2.64, 2.82 A)
&rst
ixpk= 139, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 543, 544,
&end
#
# 85 ILE QG2 85 ILE HA 3.00 (# 140:20 Unique 2.20, 3.00 A)
&rst
ixpk= 140, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1373,1374,1375,
&end
#
# 85 ILE HB 85 ILE HA 3.00 (# 141:20 Unique 2.48, 2.50 A)
&rst
ixpk= 141, nxpk= 20, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 ILE HG1+ 85 ILE HA 3.00 (# 142:20 Unique 3.68, 3.71 A)
&rst
ixpk= 142, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1377,1378,
&end
#
# 37 ASP HB- 34 TYR HA 4.00 (# 143:20 Unique 3.17, 4.51 A)
&rst
ixpk= 143, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 604, 605,
&end
#
# 0 AMB 20-2:144 85 ILE HA 3.00 (# 144:20 Single 0.00, 0.00 )
&rst
ixpk= 144, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1377,1378,1349,1350,1351,
&end
#
# 35 TYR HB+ 35 TYR HA 3.00 (# 145:20 Unique 2.24, 2.66 A)
&rst
ixpk= 145, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 564, 565,
&end
#
# 58 ILE QG2 57 THR HA 7.00 (# 146:20 Unique 5.99, 6.43 A)
&rst
ixpk= 146, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 964, 965, 966,
&end
#
# 57 THR HB 57 THR HA 5.00 (# 147:20 Unique 2.51, 2.73 A)
&rst
ixpk= 147, nxpk= 20, iat= 948, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:148 57 THR HA 5.50 (# 148:20 Single 0.00, 0.00 )
&rst
ixpk= 148, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 962, 844, 845,
&end
#
# 58 ILE HG1- 57 THR HA 6.00 (# 149:20 Unique 4.27, 4.94 A)
&rst
ixpk= 149, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 968, 969,
&end
#
# 57 THR MG2 57 THR HA 5.00 (# 150:20 Unique 2.40, 3.63 A)
&rst
ixpk= 150, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 950, 951, 952,
&end
#
# 121 ALA MB 118 TYR HA 3.00 (# 151:20 Unique 2.05, 3.34 A)
&rst
ixpk= 151, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1918,1919,1920,
&end
#
# 118 TYR HB- 118 TYR HA 3.00 (# 152:20 Unique 2.33, 2.68 A)
&rst
ixpk= 152, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1854,1855,
&end
#
# 118 TYR HB+ 118 TYR HA 3.00 (# 153:20 Unique 2.33, 2.68 A)
&rst
ixpk= 153, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1854,1855,
&end
#
# 32 TRP HB- 32 TRP HA 3.00 (# 154:20 Unique 2.58, 2.82 A)
&rst
ixpk= 154, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 498, 499,
&end
#
# 18 ILE QG2 32 TRP HA 4.00 (# 155:20 Unique 1.93, 2.41 A)
&rst
ixpk= 155, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 287, 288, 289,
&end
#
# 0 AMB 20-2:156 32 TRP HA 3.00 (# 156:20 Single 0.00, 0.00 )
&rst
ixpk= 156, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 498, 499, 564, 565,
&end
#
# 35 TYR HB- 35 TYR HA 3.00 (# 157:20 Unique 2.24, 2.66 A)
&rst
ixpk= 157, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 564, 565,
&end
#
# 38 ASP HB- 35 TYR HA 3.50 (# 158:20 Unique 2.35, 3.08 A)
&rst
ixpk= 158, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 616, 617,
&end
#
# 38 ASP HB+ 35 TYR HA 3.50 (# 159:20 Unique 2.35, 3.08 A)
&rst
ixpk= 159, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 616, 617,
&end
#
# 122 ARG HB+ 119 TRP HA 4.00 (# 160:20 Unique 3.06, 4.26 A)
&rst
ixpk= 160, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1928,1929,
&end
#
# 55 THR MG2 55 THR HA 6.00 (# 161:20 Unique 2.80, 3.68 A)
&rst
ixpk= 161, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 925, 926, 927,
&end
#
# 0 AMB 20-2:162 119 TRP HA 3.00 (# 162:20 Single 0.00, 0.00 )
&rst
ixpk= 162, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1875,1876, 148, 149,
&end
#
# 0 AMB 20-2:163 58 ILE HA 3.00 (# 163:20 Single 0.00, 0.00 )
&rst
ixpk= 163, nxpk= 20, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 844, 845, 962,
&end
#
# 58 ILE QG2 58 ILE HA 3.00 (# 164:20 Unique 2.60, 3.35 A)
&rst
ixpk= 164, nxpk= 20, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 964, 965, 966,
&end
#
# 0 AMB 20-2:165 103 ILE HA 3.00 (# 165:20 Single 0.00, 0.00 )
&rst
ixpk= 165, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1637,1638,1631,
&end
#
# 0 AMB 20-2:166 0 AMB 20-1:166 3.00 (# 166:20 Double 0.00, 0.00 )
&rst
ixpk= 166, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 968, 969,1637,1638,
igr2= 960,1629,
&end
#
# 19 ILE QG2 28 ARG HA 3.00 (# 167:20 Unique 1.89, 2.66 A)
&rst
ixpk= 167, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 306, 307, 308,
&end
#
# 25 LYS HG+ 25 LYS HA 4.00 (# 168:20 Unique 3.57, 3.91 A)
&rst
ixpk= 168, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 391, 392,
&end
#
# 0 AMB 20-2:169 4 VAL HA 6.50 (# 169:20 Single 0.00, 0.00 )
&rst
ixpk= 169, nxpk= 20, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 65, 66, 65, 66,
&end
#
# 4 VAL MGY 4 VAL HA 3.00 (# 170:20 Unique 2.08, 3.20 A)
&rst
ixpk= 170, nxpk= 20, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 0 AMB 20-2:171 0 AMB 20-1:171 3.00 (# 171:20 Double 0.00, 0.00 )
&rst
ixpk= 171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1633,1634,1635,1840,1841,1842,1844,1845,1846,
igr2=1629,1562,
&end
#
# 31 GLY HA- 19 ILE HA 3.50 (# 172:20 Unique 1.91, 2.96 A)
&rst
ixpk= 172, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 489, 490,
&end
#
# 19 ILE HB 19 ILE HA 3.00 (# 173:20 Unique 2.53, 2.66 A)
&rst
ixpk= 173, nxpk= 20, iat= 304, 302, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 ILE QG2 19 ILE HA 3.00 (# 174:20 Unique 2.03, 2.87 A)
&rst
ixpk= 174, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 306, 307, 308,
&end
#
# 22 ALA MB 19 ILE HA 3.00 (# 175:20 Unique 2.84, 3.84 A)
&rst
ixpk= 175, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 351, 352, 353,
&end
#
# 0 AMB 20-2:176 0 AMB 20-1:176 3.00 (# 176:20 Double 0.00, 0.00 )
&rst
ixpk= 176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 201, 202, 130, 131, 132,
igr2= 196, 140,
&end
#
# 0 AMB 20-2:177 0 AMB 20-1:177 3.00 (# 177:20 Double 0.00, 0.00 )
&rst
ixpk= 177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 145, 146, 198, 199, 198, 199,
igr2= 140, 196,
&end
#
# 0 AMB 20-2:178 28 ARG HA 4.00 (# 178:20 Single 0.00, 0.00 )
&rst
ixpk= 178, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 425, 426,1271,1272,1273,
&end
#
# 22 ALA MB 28 ARG HA 3.00 (# 179:20 Unique 2.03, 3.22 A)
&rst
ixpk= 179, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 351, 352, 353,
&end
#
# 98 SER HB- 98 SER HA 3.00 (# 180:20 Unique 2.24, 2.66 A)
&rst
ixpk= 180, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1564,1565,
&end
#
# 0 AMB 20-2:181 98 SER HA 4.00 (# 181:20 Single 0.00, 0.00 )
&rst
ixpk= 181, nxpk= 20, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 0 AMB 20-2:182 0 AMB 20-1:182 5.00 (# 182:20 Double 0.00, 0.00 )
&rst
ixpk= 182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 222, 273, 274,
igr2= 140, 196,
&end
#
# 14 ILE HB 11 GLU HA 3.00 (# 183:20 Unique 3.50, 4.19 A)
&rst
ixpk= 183, nxpk= 20, iat= 222, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 11 GLU HG+ 11 GLU HA 4.00 (# 184:20 Unique 2.11, 2.99 A)
&rst
ixpk= 184, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 169, 170,
&end
#
# 14 ILE QD1 11 GLU HA 4.00 (# 185:20 Unique 4.57, 6.04 A)
&rst
ixpk= 185, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 231, 232, 233,
&end
#
# 0 AMB 20-2:186 0 AMB 20-1:186 3.00 (# 186:20 Double 0.00, 0.00 )
&rst
ixpk= 186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 169, 170, 428, 429,
igr2= 111, 423,
&end
#
# 0 AMB 20-2:187 0 AMB 20-1:187 3.00 (# 187:20 Double 0.00, 0.00 )
&rst
ixpk= 187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 224, 225, 226, 351, 352, 353,
igr2= 239, 423,
&end
#
# 19 ILE HG1- 15 GLU HA 4.00 (# 188:20 Unique 1.99, 3.30 A)
&rst
ixpk= 188, nxpk= 20, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 310, 311,
&end
#
# 0 AMB 20-2:189 56 SER HA 3.00 (# 189:20 Single 0.00, 0.00 )
&rst
ixpk= 189, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 937, 938, 937, 938,
&end
#
# 0 AMB 20-2:190 0 AMB 20-1:190 3.50 (# 190:20 Double 0.00, 0.00 )
&rst
ixpk= 190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 169, 170, 428, 429,
igr2= 111, 423,
&end
#
# 0 AMB 20-2:191 0 AMB 20-1:191 3.00 (# 191:20 Double 0.00, 0.00 )
&rst
ixpk= 191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 113, 114, 425, 426,
igr2= 111, 423,
&end
#
# 110 GLN HG- 110 GLN HA 3.80 (# 192:20 Unique 2.24, 3.16 A)
&rst
ixpk= 192, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1731,1732,
&end
#
# 110 GLN HB+ 110 GLN HA 3.00 (# 193:20 Unique 2.58, 2.81 A)
&rst
ixpk= 193, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 0 AMB 20-2:194 110 GLN HA 3.00 (# 194:20 Single 0.00, 0.00 )
&rst
ixpk= 194, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1779,1780,1781,1664,1665,1666,1668,1669,1670,
&end
#
# 116 TRP HB+ 116 TRP HA 3.00 (# 195:20 Unique 2.26, 2.65 A)
&rst
ixpk= 195, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1811,1812,
&end
#
# 114 ALA MB 111 GLU HA 3.00 (# 196:20 Unique 2.73, 3.85 A)
&rst
ixpk= 196, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1789,1790,1791,
&end
#
# 0 AMB 20-2:197 36 LEU HA 3.00 (# 197:20 Single 0.00, 0.00 )
&rst
ixpk= 197, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 585, 586,1760,1761,1762,
&end
#
# 0 AMB 20-2:198 3 SER HA 3.00 (# 198:20 Single 0.00, 0.00 )
&rst
ixpk= 198, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 35, 36, 35, 36,
&end
#
# 2 ALA MB 3 SER HA 5.00 (# 199:20 Unique 3.79, 4.79 A)
&rst
ixpk= 199, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 25, 26, 27,
&end
#
# 4 VAL MGX 3 SER HA 5.00 (# 200:20 Unique 4.13, 6.01 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 117 LEU HB- 117 LEU HA 3.00 (# 202:20 Unique 2.48, 2.78 A)
&rst
ixpk= 202, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1835,1836,
&end
#
# 117 LEU MDY 117 LEU HA 3.00 (# 203:20 Unique 1.97, 3.86 A)
&rst
ixpk= 203, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:204 117 LEU HA 3.00 (# 204:20 Single 0.00, 0.00 )
&rst
ixpk= 204, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1899,1900,1835,1836,
&end
#
# 37 ASP HB- 37 ASP HA 3.00 (# 205:20 Unique 2.24, 2.66 A)
&rst
ixpk= 205, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 604, 605,
&end
#
# 0 AMB 20-2:206 0 AMB 20-1:206 3.50 (# 206:20 Double 0.00, 0.00 )
&rst
ixpk= 206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1748,1749,1120,1121,
igr2=1700, 602,
&end
#
# 0 AMB 20-2:207 37 ASP HA 3.00 (# 207:20 Single 0.00, 0.00 )
&rst
ixpk= 207, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1123,1124, 604, 605,
&end
#
# 108 ASP HB+ 108 ASP HA 3.00 (# 208:20 Unique 2.32, 2.81 A)
&rst
ixpk= 208, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1702,1703,
&end
#
# 54 LYS HG- 0 AMB 20-1:209 3.40 (# 209:20 Single 0.00, 0.00 )
&rst
ixpk= 209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 904, 905,
igr2= 899, 875,
&end
#
# 106 ASP HB+ 107 ASP HA 5.00 (# 210:20 Unique 4.46, 5.10 A)
&rst
ixpk= 210, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1678,1679,
&end
#
# 107 ASP HB+ 107 ASP HA 3.00 (# 211:20 Unique 2.41, 2.78 A)
&rst
ixpk= 211, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1690,1691,
&end
#
# 111 GLU HG+ 107 ASP HA 4.00 (# 212:20 Unique 3.08, 3.69 A)
&rst
ixpk= 212, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1748,1749,
&end
#
# 110 GLN HB+ 107 ASP HA 3.00 (# 213:20 Unique 3.00, 3.45 A)
&rst
ixpk= 213, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 0 AMB 20-2:214 0 AMB 20-1:214 3.00 (# 214:20 Double 0.00, 0.00 )
&rst
ixpk= 214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 877, 878, 901, 902,
igr2= 875, 899,
&end
#
# 0 AMB 20-2:215 0 AMB 20-1:215 3.00 (# 215:20 Double 0.00, 0.00 )
&rst
ixpk= 215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 880, 881, 907, 908,
igr2= 875, 899,
&end
#
# 53 ARG HD+ 53 ARG HA 4.30 (# 216:20 Unique 3.29, 4.08 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 883, 884,
&end
#
# 71 ASP HB+ 71 ASP HA 3.00 (# 218:20 Unique 2.35, 2.56 A)
&rst
ixpk= 218, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1161,1162,
&end
#
# 74 CYS HB- 71 ASP HA 4.00 (# 219:20 Unique 2.52, 4.71 A)
&rst
ixpk= 219, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1200,1201,
&end
#
# 71 ASP HB- 71 ASP HA 3.00 (# 220:20 Unique 2.35, 2.56 A)
&rst
ixpk= 220, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1161,1162,
&end
#
# 52 SER HB+ 52 SER HA 5.00 (# 221:20 Unique 2.34, 2.76 A)
&rst
ixpk= 221, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 866, 867,
&end
#
# 0 AMB 20-2:222 97 LEU HA 3.00 (# 222:20 Single 0.00, 0.00 )
&rst
ixpk= 222, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1550,1551,1552,1554,1555,1556,1589,1590,1591,
&end
#
# 100 ILE HB 97 LEU HA 4.00 (# 223:20 Unique 4.04, 4.22 A)
&rst
ixpk= 223, nxpk= 20, iat=1587,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:224 97 LEU HA 3.00 (# 224:20 Single 0.00, 0.00 )
&rst
ixpk= 224, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1550,1551,1552,1554,1555,1556,1772,1773,1774,1545,
1546,
&end
#
# 0 AMB 20-2:225 97 LEU HA 4.00 (# 225:20 Single 0.00, 0.00 )
&rst
ixpk= 225, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
1909,1910,1904,1905,1906,1908,1909,1910,
&end
#
# 97 LEU HB+ 97 LEU HA 3.00 (# 226:20 Unique 2.44, 2.78 A)
&rst
ixpk= 226, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1545,1546,
&end
#
# 96 LYS HG+ 96 LYS HA 4.00 (# 227:20 Unique 2.43, 3.28 A)
&rst
ixpk= 227, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1526,1527,
&end
#
# 96 LYS HB+ 96 LYS HA 3.00 (# 228:20 Unique 2.37, 2.77 A)
&rst
ixpk= 228, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1523,1524,
&end
#
# 96 LYS HD+ 96 LYS HA 4.40 (# 229:20 Unique 1.55, 3.01 A)
&rst
ixpk= 229, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1529,1530,
&end
#
# 23 GLU HB+ 23 GLU HA 3.00 (# 230:20 Unique 2.39, 2.73 A)
&rst
ixpk= 230, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 361, 362,
&end
#
# 22 ALA MB 23 GLU HA 4.00 (# 231:20 Unique 4.31, 5.11 A)
&rst
ixpk= 231, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 351, 352, 353,
&end
#
# 6 ARG HB- 6 ARG HA 3.00 (# 232:20 Unique 2.24, 2.46 A)
&rst
ixpk= 232, nxpk= 20, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 77, 78,
&end
#
# 0 AMB 20-2:233 0 AMB 20-1:233 5.00 (# 233:20 Double 0.00, 0.00 )
&rst
ixpk= 233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 361, 362, 270, 271,
igr2= 359, 268,
&end
#
# 17 GLU HB- 17 GLU HA 4.50 (# 234:20 Unique 2.42, 2.73 A)
&rst
ixpk= 234, nxpk= 20, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 270, 271,
&end
#
# 0 AMB 20-2:235 17 GLU HA 5.00 (# 235:20 Single 0.00, 0.00 )
&rst
ixpk= 235, nxpk= 20, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 120 LEU HB+ 120 LEU HA 3.00 (# 236:20 Unique 2.24, 2.64 A)
&rst
ixpk= 236, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1899,1900,
&end
#
# 0 AMB 20-2:237 120 LEU HA 3.00 (# 237:20 Single 0.00, 0.00 )
&rst
ixpk= 237, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 120 LEU HB- 120 LEU HA 3.00 (# 238:20 Unique 2.24, 2.64 A)
&rst
ixpk= 238, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1899,1900,
&end
#
# 73 GLU HB+ 73 GLU HA 3.00 (# 239:20 Unique 2.33, 2.74 A)
&rst
ixpk= 239, nxpk= 20, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1185,1186,
&end
#
# 73 GLU HB- 73 GLU HA 3.00 (# 240:20 Unique 2.33, 2.74 A)
&rst
ixpk= 240, nxpk= 20, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1185,1186,
&end
#
# 51 LYS HB+ 51 LYS HA 3.00 (# 241:20 Unique 2.29, 2.81 A)
&rst
ixpk= 241, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 844, 845,
&end
#
# 0 AMB 20-2:242 0 AMB 20-1:242 5.50 (# 242:20 Double 0.00, 0.00 )
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 968, 969,1407,1408,
igr2= 842,1402,
&end
#
# 87 GLY HA+ 88 LYS HA 5.00 (# 243:20 Unique 4.35, 4.46 A)
&rst
ixpk= 243, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1395,1396,
&end
#
# 51 LYS HG+ 51 LYS HA 3.30 (# 244:20 Unique 2.03, 2.79 A)
&rst
ixpk= 244, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 847, 848,
&end
#
# 58 ILE HG1+ 51 LYS HA 4.00 (# 245:20 Unique 2.27, 4.15 A)
&rst
ixpk= 245, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 968, 969,
&end
#
# 50 LYS HG+ 51 LYS HA 5.00 (# 246:20 Unique 4.03, 4.80 A)
&rst
ixpk= 246, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 825, 826,
&end
#
# 0 AMB 20-2:247 75 LEU HA 3.00 (# 247:20 Single 0.00, 0.00 )
&rst
ixpk= 247, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB- 75 LEU HA 3.00 (# 248:20 Unique 2.40, 2.73 A)
&rst
ixpk= 248, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 75 LEU HB+ 75 LEU HA 3.00 (# 249:20 Unique 2.40, 2.73 A)
&rst
ixpk= 249, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 75 LEU MDX 75 LEU HA 3.00 (# 250:20 Unique 1.99, 3.81 A)
&rst
ixpk= 250, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 43 PRO HB+ 66 LEU HA 3.50 (# 251:20 Unique 1.98, 3.05 A)
&rst
ixpk= 251, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 699, 700,
&end
#
# 43 PRO HB- 66 LEU HA 3.50 (# 252:20 Unique 1.98, 3.05 A)
&rst
ixpk= 252, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 699, 700,
&end
#
# 0 AMB 20-2:253 66 LEU HA 4.00 (# 253:20 Single 0.00, 0.00 )
&rst
ixpk= 253, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 696, 697, 696, 697,1066,1067,
&end
#
# 81 GLU HB+ 66 LEU HA 5.00 (# 254:20 Unique 4.91, 5.69 A)
&rst
ixpk= 254, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1318,1319,
&end
#
# 66 LEU HB+ 66 LEU HA 3.00 (# 255:20 Unique 2.31, 2.78 A)
&rst
ixpk= 255, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1094,1095,
&end
#
# 66 LEU MDX 66 LEU HA 3.00 (# 256:20 Unique 1.96, 3.65 A)
&rst
ixpk= 256, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1099,1100,1101,1103,1104,1105,
&end
#
# 33 TYR HB- 30 MET HA 4.00 (# 258:20 Unique 2.87, 3.81 A)
&rst
ixpk= 258, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 522, 523,
&end
#
# 30 MET ME 30 MET HA 3.00 (# 259:20 Unique 1.99, 3.01 A)
&rst
ixpk= 259, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 481, 482, 483,
&end
#
# 5 GLU HG+ 5 GLU HA 5.00 (# 260:20 Unique 2.39, 3.72 A)
&rst
ixpk= 260, nxpk= 20, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 65, 66,
&end
#
# 5 GLU HB+ 5 GLU HA 4.50 (# 261:20 Unique 2.35, 2.48 A)
&rst
ixpk= 261, nxpk= 20, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 62, 63,
&end
#
# 5 GLU HB- 5 GLU HA 4.50 (# 262:20 Unique 2.35, 2.48 A)
&rst
ixpk= 262, nxpk= 20, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 62, 63,
&end
#
# 75 LEU HB+ 75 LEU HA 3.00 (# 263:20 Unique 2.40, 2.73 A)
&rst
ixpk= 263, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1211,1212,
&end
#
# 109 THR MG2 40 LEU HA 3.00 (# 264:20 Unique 1.99, 3.60 A)
&rst
ixpk= 264, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1716,1717,1718,
&end
#
# 40 LEU HG 40 LEU HA 3.00 (# 265:20 Unique 2.41, 2.64 A)
&rst
ixpk= 265, nxpk= 20, iat= 645, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 LEU HB+ 40 LEU HA 3.00 (# 266:20 Unique 2.57, 2.82 A)
&rst
ixpk= 266, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 642, 643,
&end
#
# 50 LYS HB- 50 LYS HA 3.00 (# 267:20 Unique 2.46, 2.78 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 822, 823,
&end
#
# 0 AMB 20-2:268 50 LYS HA 4.20 (# 268:20 Single 0.00, 0.00 )
&rst
ixpk= 268, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 844, 845, 981, 982,1011,1012,
&end
#
# 50 LYS HD+ 50 LYS HA 4.00 (# 269:20 Unique 3.70, 4.35 A)
&rst
ixpk= 269, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 828, 829,
&end
#
# 49 LYS HG- 49 LYS HA 3.00 (# 270:20 Unique 3.02, 3.61 A)
&rst
ixpk= 270, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 803, 804,
&end
#
# 58 ILE QG2 49 LYS HA 3.00 (# 271:20 Unique 2.25, 3.41 A)
&rst
ixpk= 271, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 964, 965, 966,
&end
#
# 49 LYS HB- 49 LYS HA 3.00 (# 272:20 Unique 2.30, 2.67 A)
&rst
ixpk= 272, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 800, 801,
&end
#
# 49 LYS HG+ 49 LYS HA 3.30 (# 273:20 Unique 3.02, 3.61 A)
&rst
ixpk= 273, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 803, 804,
&end
#
# 117 LEU MDX 114 ALA HA 3.00 (# 274:20 Unique 1.98, 4.09 A)
&rst
ixpk= 274, nxpk= 20, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 114 ALA MB 114 ALA HA 3.00 (# 275:20 Unique 2.22, 2.63 A)
&rst
ixpk= 275, nxpk= 20, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1789,1790,1791,
&end
#
# 0 AMB 20-2:276 114 ALA HA 5.00 (# 276:20 Single 0.00, 0.00 )
&rst
ixpk= 276, nxpk= 20, iat= -1,1787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1833,1768,1726,
&end
#
# 0 AMB 20-2:277 50 LYS HA 5.50 (# 277:20 Single 0.00, 0.00 )
&rst
ixpk= 277, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 850, 851, 844, 845,
&end
#
# 50 LYS HB+ 50 LYS HA 3.00 (# 278:20 Unique 2.46, 2.78 A)
&rst
ixpk= 278, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 822, 823,
&end
#
# 0 AMB 20-2:280 21 ASP HA 3.00 (# 280:20 Single 0.00, 0.00 )
&rst
ixpk= 280, nxpk= 20, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 20 VAL HA 21 ASP HA 5.00 (# 281:20 Unique 4.53, 4.56 A)
&rst
ixpk= 281, nxpk= 20, iat= 321, 337, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 MET HB- 1 MET HA 3.00 (# 282:20 Unique 2.30, 2.63 A)
&rst
ixpk= 282, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 8, 9,
&end
#
# 1 MET HG+ 1 MET HA 3.80 (# 283:20 Unique 2.30, 3.29 A)
&rst
ixpk= 283, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 11, 12,
&end
#
# 1 MET HB+ 1 MET HA 3.00 (# 284:20 Unique 2.30, 2.63 A)
&rst
ixpk= 284, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 8, 9,
&end
#
# 103 ILE QG2 104 ASP HA 4.00 (# 285:20 Unique 3.80, 4.79 A)
&rst
ixpk= 285, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 104 ASP HB+ 104 ASP HA 3.00 (# 286:20 Unique 2.45, 2.80 A)
&rst
ixpk= 286, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1650,1651,
&end
#
# 104 ASP HB- 104 ASP HA 3.00 (# 287:20 Unique 2.45, 2.80 A)
&rst
ixpk= 287, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1650,1651,
&end
#
# 0 AMB 20-2:289 72 ASP HA 3.00 (# 289:20 Single 0.00, 0.00 )
&rst
ixpk= 289, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1173,1174,1173,1174,
&end
#
# 29 ALA MB 29 ALA HA 3.00 (# 291:20 Unique 2.22, 2.63 A)
&rst
ixpk= 291, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 464, 465, 466,
&end
#
# 78 MET ME 29 ALA HA 4.00 (# 292:20 Unique 1.99, 3.03 A)
&rst
ixpk= 292, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1271,1272,1273,
&end
#
# 89 ASP HB+ 89 ASP HA 3.50 (# 294:20 Unique 2.34, 2.76 A)
&rst
ixpk= 294, nxpk= 20, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1426,1427,
&end
#
# 0 AMB 20-2:296 121 ALA HA 4.00 (# 296:20 Single 0.00, 0.00 )
&rst
ixpk= 296, nxpk= 20, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 124 TYR HB- 124 TYR HA 3.00 (# 298:20 Unique 2.27, 2.50 A)
&rst
ixpk= 298, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1959,1960,
&end
#
# 122 ARG HD+ 122 ARG HA 4.20 (# 300:20 Unique 2.10, 3.23 A)
&rst
ixpk= 300, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1934,1935,
&end
#
# 4 VAL MGX 122 ARG HA 4.00 (# 301:20 Unique 3.53, 5.59 A)
&rst
ixpk= 301, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 122 ARG HB- 122 ARG HA 3.00 (# 302:20 Unique 2.45, 2.81 A)
&rst
ixpk= 302, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1928,1929,
&end
#
# 122 ARG HB+ 122 ARG HA 4.00 (# 303:20 Unique 2.45, 2.81 A)
&rst
ixpk= 303, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1928,1929,
&end
#
# 106 ASP HB+ 106 ASP HA 3.00 (# 304:20 Unique 2.35, 2.82 A)
&rst
ixpk= 304, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1678,1679,
&end
#
# 106 ASP HB- 106 ASP HA 3.00 (# 305:20 Unique 2.35, 2.82 A)
&rst
ixpk= 305, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1678,1679,
&end
#
# 0 AMB 20-2:306 106 ASP HA 5.50 (# 306:20 Single 0.00, 0.00 )
&rst
ixpk= 306, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1662,1728,1729,
&end
#
# 46 GLY HA+ 102 ALA HA 3.00 (# 307:20 Unique 2.17, 2.94 A)
&rst
ixpk= 307, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 745, 746,
&end
#
# 102 ALA MB 102 ALA HA 3.00 (# 308:20 Unique 2.22, 2.63 A)
&rst
ixpk= 308, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1621,1622,1623,
&end
#
# 100 ILE QG2 102 ALA HA 4.00 (# 310:20 Unique 3.60, 4.87 A)
&rst
ixpk= 310, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1589,1590,1591,
&end
#
# 27 GLU HG- 22 ALA HA 4.00 (# 311:20 Unique 3.16, 3.86 A)
&rst
ixpk= 311, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 428, 429,
&end
#
# 0 AMB 20-2:312 22 ALA HA 5.00 (# 312:20 Single 0.00, 0.00 )
&rst
ixpk= 312, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 304, 364, 365,
&end
#
# 0 AMB 20-2:313 22 ALA HA 3.00 (# 313:20 Single 0.00, 0.00 )
&rst
ixpk= 313, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 425, 426, 425, 426,
&end
#
# 22 ALA MB 22 ALA HA 3.00 (# 314:20 Unique 2.22, 2.63 A)
&rst
ixpk= 314, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 351, 352, 353,
&end
#
# 0 AMB 20-2:315 2 ALA HA 5.00 (# 315:20 Single 0.00, 0.00 )
&rst
ixpk= 315, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1926,1875,1876,
&end
#
# 2 ALA MB 2 ALA HA 3.00 (# 316:20 Unique 2.22, 2.63 A)
&rst
ixpk= 316, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 25, 26, 27,
&end
#
# 70 PRO HD- 69 ALA HA 3.00 (# 317:20 Unique 2.38, 2.61 A)
&rst
ixpk= 317, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1144,1145,
&end
#
# 70 PRO HD+ 69 ALA HA 3.00 (# 318:20 Unique 2.38, 2.61 A)
&rst
ixpk= 318, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1144,1145,
&end
#
# 0 AMB 20-2:319 69 ALA HA 4.80 (# 319:20 Single 0.00, 0.00 )
&rst
ixpk= 319, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1188,1189,1147,1148,1302,
&end
#
# 81 GLU HG+ 69 ALA HA 3.80 (# 320:20 Unique 2.32, 3.60 A)
&rst
ixpk= 320, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1321,1322,
&end
#
# 81 GLU HG- 69 ALA HA 4.00 (# 321:20 Unique 2.32, 3.60 A)
&rst
ixpk= 321, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1321,1322,
&end
#
# 43 PRO HB+ 43 PRO HD+ 4.20 (# 322:20 Unique 2.98, 3.70 A)
&rst
ixpk= 322, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 0 AMB 20-2:323 0 AMB 20-1:323 3.00 (# 323:20 Double 0.00, 0.00 )
&rst
ixpk= 323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 696, 697, 696, 697,
igr2= 693, 694, 693, 694,
&end
#
# 43 PRO HB+ 43 PRO HD- 4.00 (# 324:20 Unique 2.98, 3.70 A)
&rst
ixpk= 324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 0 AMB 20-2:325 43 PRO HD- 3.00 (# 325:20 Single 0.00, 0.00 )
&rst
ixpk= 325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 696, 697, 696, 697,
igr2= 693, 694,
&end
#
# 43 PRO HB- 43 PRO HD- 4.00 (# 326:20 Unique 2.98, 3.70 A)
&rst
ixpk= 326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 69 ALA HA 70 PRO HD- 3.00 (# 328:20 Unique 2.38, 2.61 A)
&rst
ixpk= 328, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1144,1145,
&end
#
# 69 ALA MB 70 PRO HD- 3.00 (# 329:20 Unique 1.88, 3.05 A)
&rst
ixpk= 329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1137,1138,1139,
igr2=1144,1145,
&end
#
# 69 ALA HA 70 PRO HD+ 3.00 (# 330:20 Unique 2.38, 2.61 A)
&rst
ixpk= 330, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:331 0 AMB 20-1:331 3.00 (# 331:20 Double 0.00, 0.00 )
&rst
ixpk= 331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1188,1189,1147,1148,
igr2=1144,1145,1144,1145,
&end
#
# 70 PRO HG- 70 PRO HD+ 3.00 (# 332:20 Unique 2.30, 2.58 A)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1147,1148,
igr2=1144,1145,
&end
#
# 69 ALA MB 70 PRO HD+ 3.00 (# 333:20 Unique 1.88, 3.05 A)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1137,1138,1139,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:335 0 AMB 20-1:335 4.00 (# 335:20 Double 0.00, 0.00 )
&rst
ixpk= 335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1373,1374,1375,1049,1050,1051,1053,1054,1055,
igr2=1388,1389,1388,1389,
&end
#
# 85 ILE HB 86 GLY HA+ 5.00 (# 336:20 Unique 4.87, 4.97 A)
&rst
ixpk= 336, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1388,1389,
&end
#
# 84 ASP HB+ 87 GLY HA+ 5.00 (# 337:20 Unique 2.67, 4.37 A)
&rst
ixpk= 337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,
igr2=1395,1396,
&end
#
# 88 LYS HG+ 87 GLY HA- 5.00 (# 338:20 Unique 3.13, 4.65 A)
&rst
ixpk= 338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1407,1408,
igr2=1395,1396,
&end
#
# 84 ASP HB- 87 GLY HA- 5.00 (# 339:20 Unique 2.67, 4.37 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,
igr2=1395,1396,
&end
#
# 84 ASP HB+ 87 GLY HA- 5.00 (# 340:20 Unique 2.67, 4.37 A)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,
igr2=1395,1396,
&end
#
# 0 AMB 20-2:341 87 GLY HA- 6.00 (# 341:20 Single 0.00, 0.00 )
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1404,1405,1011,1012,
igr2=1395,1396,
&end
#
# 84 ASP HB- 87 GLY HA+ 5.00 (# 342:20 Unique 2.67, 4.37 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1359,1360,
igr2=1395,1396,
&end
#
# 0 AMB 20-2:343 0 AMB 20-1:343 6.00 (# 343:20 Double 0.00, 0.00 )
&rst
ixpk= 343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
igr1=1080,1081,1082,1084,1085,1086,1335,1336,1337,1339,
1340,1341,
igr2= 745, 746, 745, 746,
&end
#
# 102 ALA HA 46 GLY HA+ 4.00 (# 344:20 Unique 2.17, 2.94 A)
&rst
ixpk= 344, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 745, 746,
&end
#
# 100 ILE HG1+ 46 GLY HA+ 6.50 (# 345:20 Unique 1.93, 4.16 A)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1593,1594,
igr2= 745, 746,
&end
#
# 100 ILE QG2 46 GLY HA+ 4.00 (# 346:20 Unique 2.36, 4.37 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1589,1590,1591,
igr2= 745, 746,
&end
#
# 100 ILE HG1+ 46 GLY HA+ 6.50 (# 348:20 Unique 1.93, 4.16 A)
&rst
ixpk= 348, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1593,1594,
igr2= 745, 746,
&end
#
# 6 ARG HG+ 6 ARG HD+ 3.00 (# 349:20 Unique 2.22, 2.65 A)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 80, 81,
igr2= 83, 84,
&end
#
# 6 ARG HB- 6 ARG HD+ 3.00 (# 350:20 Unique 2.08, 3.34 A)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 77, 78,
igr2= 83, 84,
&end
#
# 53 ARG HG+ 53 ARG HD+ 3.00 (# 354:20 Unique 2.22, 2.71 A)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 880, 881,
igr2= 883, 884,
&end
#
# 6 ARG HG+ 6 ARG HD- 3.00 (# 355:20 Unique 2.22, 2.65 A)
&rst
ixpk= 355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 80, 81,
igr2= 83, 84,
&end
#
# 66 LEU HA 66 LEU HB- 3.50 (# 356:20 Unique 2.31, 2.78 A)
&rst
ixpk= 356, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 0 AMB 20-2:357 66 LEU HB- 3.00 (# 357:20 Single 0.00, 0.00 )
&rst
ixpk= 357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1099,1100,1101,1103,1104,1105,1097,
igr2=1094,1095,
&end
#
# 66 LEU HA 66 LEU HB- 3.50 (# 358:20 Unique 2.31, 2.78 A)
&rst
ixpk= 358, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 66 LEU HA 66 LEU HB+ 3.50 (# 359:20 Unique 2.31, 2.78 A)
&rst
ixpk= 359, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 0 AMB 20-2:360 0 AMB 20-1:360 3.00 (# 360:20 Double 0.00, 0.00 )
&rst
ixpk= 360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,1097,
igr2=1094,1095,1094,1095,1094,1095,
&end
#
# 0 AMB 20-2:362 24 ASP HB- 4.00 (# 362:20 Single 0.00, 0.00 )
&rst
ixpk= 362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 425, 426, 410, 411,
igr2= 376, 377,
&end
#
# 0 AMB 20-2:363 0 AMB 20-1:363 5.00 (# 363:20 Double 0.00, 0.00 )
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
igr1= 361, 362, 388, 389, 477, 478, 585, 586,
igr2= 376, 377, 616, 617,
&end
#
# 96 LYS HG- 96 LYS HE+ 3.00 (# 364:20 Unique 2.14, 3.37 A)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1526,1527,
igr2=1532,1533,
&end
#
# 96 LYS HG- 96 LYS HE- 4.00 (# 366:20 Unique 2.14, 3.37 A)
&rst
ixpk= 366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1526,1527,
igr2=1532,1533,
&end
#
# 38 ASP HA 38 ASP HB+ 3.00 (# 367:20 Unique 2.38, 2.75 A)
&rst
ixpk= 367, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 616, 617,
&end
#
# 35 TYR HA 38 ASP HB+ 3.00 (# 368:20 Unique 2.35, 3.08 A)
&rst
ixpk= 368, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 616, 617,
&end
#
# 37 ASP HA 37 ASP HB+ 3.00 (# 369:20 Unique 2.24, 2.66 A)
&rst
ixpk= 369, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 25 LYS HB+ 25 LYS HE+ 3.80 (# 371:20 Unique 1.95, 3.92 A)
&rst
ixpk= 371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 388, 389,
igr2= 397, 398,
&end
#
# 25 LYS HG- 25 LYS HE+ 3.00 (# 372:20 Unique 2.01, 3.27 A)
&rst
ixpk= 372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 391, 392,
igr2= 397, 398,
&end
#
# 0 AMB 20-2:373 0 AMB 20-1:373 3.00 (# 373:20 Double 0.00, 0.00 )
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1529,1530,1523,1524,
igr2=1532,1533,1532,1533,
&end
#
# 0 AMB 20-2:377 0 AMB 20-1:377 3.00 (# 377:20 Double 0.00, 0.00 )
&rst
ixpk= 377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1980,1981,1986,1987, 806, 807,
igr2=1989,1990,1989,1990, 809, 810,
&end
#
# 125 LYS HG+ 125 LYS HE+ 3.00 (# 378:20 Unique 2.01, 3.14 A)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1983,1984,
igr2=1989,1990,
&end
#
# 58 ILE QG2 49 LYS HE+ 3.00 (# 379:20 Unique 1.99, 3.71 A)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 964, 965, 966,
igr2= 809, 810,
&end
#
# 47 LYS HD+ 47 LYS HE+ 3.00 (# 380:20 Unique 2.22, 2.67 A)
&rst
ixpk= 380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 760, 761,
igr2= 763, 764,
&end
#
# 47 LYS HG+ 47 LYS HE+ 3.00 (# 381:20 Unique 1.94, 3.14 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 763, 764,
&end
#
# 50 LYS HB+ 50 LYS HE+ 4.00 (# 383:20 Unique 2.24, 3.48 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 822, 823,
igr2= 831, 832,
&end
#
# 50 LYS HD+ 50 LYS HE+ 3.00 (# 384:20 Unique 2.22, 2.66 A)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 828, 829,
igr2= 831, 832,
&end
#
# 50 LYS HD- 50 LYS HE+ 3.00 (# 385:20 Unique 2.22, 2.66 A)
&rst
ixpk= 385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 828, 829,
igr2= 831, 832,
&end
#
# 0 AMB 20-2:386 0 AMB 20-1:386 3.00 (# 386:20 Double 0.00, 0.00 )
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 825, 826, 825, 826,
igr2= 831, 832, 831, 832,
&end
#
# 75 LEU MDY 75 LEU HB- 3.00 (# 387:20 Unique 2.25, 3.28 A)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1216,1217,1218,1220,1221,1222,
igr2=1211,1212,
&end
#
# 75 LEU HA 75 LEU HB- 3.00 (# 388:20 Unique 2.40, 2.73 A)
&rst
ixpk= 388, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 75 LEU HG 75 LEU HB- 3.00 (# 389:20 Unique 2.40, 2.73 A)
&rst
ixpk= 389, nxpk= 20, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:390 0 AMB 20-1:390 3.00 (# 390:20 Double 0.00, 0.00 )
&rst
ixpk= 390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1550,1551,1552,1554,1555,1556,1264,1265,
igr2=1545,1546,1545,1546,
&end
#
# 0 AMB 20-2:391 0 AMB 20-1:391 5.00 (# 391:20 Double 0.00, 0.00 )
&rst
ixpk= 391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
1909,1910,
igr2=1545,1546,1545,1546,
&end
#
# 75 LEU HA 75 LEU HB+ 3.00 (# 392:20 Unique 2.40, 2.73 A)
&rst
ixpk= 392, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:393 0 AMB 20-1:393 3.00 (# 393:20 Double 0.00, 0.00 )
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1216,1217,1218,1220,1221,1222,1959,1960,
igr2=1211,1212,1899,1900,
&end
#
# 0 AMB 20-2:394 0 AMB 20-1:394 3.00 (# 394:20 Double 0.00, 0.00 )
&rst
ixpk= 394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1899,1900,1899,1900,
&end
#
# 97 LEU HA 97 LEU HB- 3.50 (# 395:20 Unique 2.44, 2.78 A)
&rst
ixpk= 395, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,
&end
#
# 97 LEU HG 97 LEU HB- 3.00 (# 396:20 Unique 2.22, 2.51 A)
&rst
ixpk= 396, nxpk= 20, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1545,1546,
&end
#
# 0 AMB 20-2:397 97 LEU HB- 3.00 (# 397:20 Single 0.00, 0.00 )
&rst
ixpk= 397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1550,1551,1552,1554,1555,1556,1264,1265,
igr2=1545,1546,
&end
#
# 117 LEU HA 120 LEU HB- 4.00 (# 398:20 Unique 2.22, 3.68 A)
&rst
ixpk= 398, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1899,1900,
&end
#
# 0 AMB 20-2:399 120 LEU HB- 3.00 (# 399:20 Single 0.00, 0.00 )
&rst
ixpk= 399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1899,1900,
&end
#
# 49 LYS HB+ 99 ASP HB+ 6.00 (# 400:20 Unique 3.78, 5.89 A)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 800, 801,
igr2=1575,1576,
&end
#
# 61 LYS HB- 61 LYS HE+ 3.50 (# 401:20 Unique 2.29, 2.82 A)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1011,1012,
igr2=1020,1021,
&end
#
# 61 LYS HD+ 61 LYS HE+ 3.00 (# 402:20 Unique 2.22, 2.68 A)
&rst
ixpk= 402, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1017,1018,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:403 0 AMB 20-1:403 3.00 (# 403:20 Double 0.00, 0.00 )
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1014,1015,1014,1015,
igr2=1020,1021,1020,1021,
&end
#
# 63 VAL MGY 61 LYS HE+ 4.00 (# 404:20 Unique 3.34, 5.51 A)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1020,1021,
&end
#
# 61 LYS HD+ 61 LYS HE- 3.00 (# 405:20 Unique 2.22, 2.68 A)
&rst
ixpk= 405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1017,1018,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:406 61 LYS HE- 4.00 (# 406:20 Single 0.00, 0.00 )
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1014,1015,1014,1015,
igr2=1020,1021,
&end
#
# 63 VAL MGY 61 LYS HE- 5.00 (# 407:20 Unique 3.34, 5.51 A)
&rst
ixpk= 407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1020,1021,
&end
#
# 61 LYS HB- 61 LYS HE- 3.50 (# 408:20 Unique 2.29, 2.82 A)
&rst
ixpk= 408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1011,1012,
igr2=1020,1021,
&end
#
# 61 LYS HB+ 61 LYS HE- 4.00 (# 409:20 Unique 2.29, 2.82 A)
&rst
ixpk= 409, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1011,1012,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:410 0 AMB 20-1:410 5.00 (# 410:20 Double 0.00, 0.00 )
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1395,1396,1499,
igr2=1359,1360,1281,1282,
&end
#
# 105 VAL MGY 44 PHE HB+ 3.00 (# 412:20 Unique 2.37, 5.33 A)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1664,1665,1666,1668,1669,1670,
igr2= 710, 711,
&end
#
# 89 ASP HA 89 ASP HB+ 3.50 (# 413:20 Unique 2.34, 2.76 A)
&rst
ixpk= 413, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1426,1427,
&end
#
# 89 ASP HA 89 ASP HB- 3.50 (# 414:20 Unique 2.34, 2.76 A)
&rst
ixpk= 414, nxpk= 20, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1426,1427,
&end
#
# 82 VAL MGX 93 TYR HB+ 6.00 (# 417:20 Unique 2.65, 5.87 A)
&rst
ixpk= 417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1478,1479,
&end
#
# 82 VAL MGX 93 TYR HB- 6.00 (# 418:20 Unique 2.65, 5.87 A)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1478,1479,
&end
#
# 107 ASP HA 107 ASP HB- 3.00 (# 422:20 Unique 2.41, 2.78 A)
&rst
ixpk= 422, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1690,1691,
&end
#
# 0 AMB 20-2:423 0 AMB 20-1:423 3.00 (# 423:20 Double 0.00, 0.00 )
&rst
ixpk= 423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 583,1833,
igr2= 585, 586,1835,1836,
&end
#
# 114 ALA HA 117 LEU HB- 4.00 (# 424:20 Unique 1.98, 3.36 A)
&rst
ixpk= 424, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1835,1836,
&end
#
# 117 LEU MDX 117 LEU HB- 3.00 (# 425:20 Unique 2.08, 3.26 A)
&rst
ixpk= 425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1840,1841,1842,1844,1845,1846,
igr2=1835,1836,
&end
#
# 117 LEU HG 117 LEU HB+ 3.00 (# 426:20 Unique 2.40, 2.76 A)
&rst
ixpk= 426, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1835,1836,
&end
#
# 114 ALA HA 117 LEU HB+ 4.00 (# 427:20 Unique 1.98, 3.36 A)
&rst
ixpk= 427, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1835,1836,
&end
#
# 117 LEU HA 117 LEU HB+ 3.00 (# 428:20 Unique 2.48, 2.78 A)
&rst
ixpk= 428, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1835,1836,
&end
#
# 117 LEU MDX 117 LEU HB+ 3.00 (# 429:20 Unique 2.08, 3.26 A)
&rst
ixpk= 429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1840,1841,1842,1844,1845,1846,
igr2=1835,1836,
&end
#
# 4 VAL MGX 122 ARG HD+ 3.00 (# 431:20 Unique 2.10, 4.66 A)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 48, 49, 50, 52, 53, 54,
igr2=1934,1935,
&end
#
# 36 LEU HA 36 LEU HB+ 4.00 (# 433:20 Unique 2.35, 2.75 A)
&rst
ixpk= 433, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 585, 586,
&end
#
# 36 LEU MDX 36 LEU HB+ 3.00 (# 434:20 Unique 1.94, 3.22 A)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 590, 591, 592, 594, 595, 596,
igr2= 585, 586,
&end
#
# 36 LEU MDY 36 LEU HB+ 3.00 (# 435:20 Unique 1.94, 3.22 A)
&rst
ixpk= 435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 590, 591, 592, 594, 595, 596,
igr2= 585, 586,
&end
#
# 0 AMB 20-2:436 0 AMB 20-1:436 4.00 (# 436:20 Double 0.00, 0.00 )
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
igr2= 339, 340, 339, 340,
&end
#
# 21 ASP HA 21 ASP HB+ 3.00 (# 437:20 Unique 2.38, 2.75 A)
&rst
ixpk= 437, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 21 ASP HA 21 ASP HB- 3.00 (# 438:20 Unique 2.38, 2.75 A)
&rst
ixpk= 438, nxpk= 20, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 339, 340,
&end
#
# 0 AMB 20-2:439 21 ASP HB- 4.00 (# 439:20 Single 0.00, 0.00 )
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
igr2= 339, 340,
&end
#
# 46 GLY HA+ 103 ILE HB 4.50 (# 440:20 Unique 2.38, 3.85 A)
&rst
ixpk= 440, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 745, 746,
&end
#
# 45 MET HB- 103 ILE HB 4.00 (# 441:20 Unique 4.20, 4.52 A)
&rst
ixpk= 441, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 730, 731,
&end
#
# 102 ALA HA 103 ILE HB 5.00 (# 442:20 Unique 4.30, 4.45 A)
&rst
ixpk= 442, nxpk= 20, iat=1619,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ILE HA 103 ILE HB 3.00 (# 443:20 Unique 2.94, 2.99 A)
&rst
ixpk= 443, nxpk= 20, iat=1629,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 45 MET HG- 103 ILE HB 3.00 (# 444:20 Unique 1.86, 2.42 A)
&rst
ixpk= 444, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 733, 734,
&end
#
# 45 MET ME 103 ILE HB 4.00 (# 445:20 Unique 1.91, 3.13 A)
&rst
ixpk= 445, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 737, 738, 739,
&end
#
# 103 ILE HG1+ 103 ILE HB 3.00 (# 446:20 Unique 2.47, 2.79 A)
&rst
ixpk= 446, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1637,1638,
&end
#
# 103 ILE QG2 103 ILE HB 4.00 (# 447:20 Unique 2.29, 2.63 A)
&rst
ixpk= 447, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1633,1634,1635,
&end
#
# 108 ASP HA 108 ASP HB- 3.00 (# 448:20 Unique 2.32, 2.81 A)
&rst
ixpk= 448, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1702,1703,
&end
#
# 39 THR MG2 108 ASP HB- 3.00 (# 449:20 Unique 1.95, 3.61 A)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 630, 631, 632,
igr2=1702,1703,
&end
#
# 40 LEU HA 40 LEU HB+ 3.50 (# 450:20 Unique 2.57, 2.82 A)
&rst
ixpk= 450, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:451 0 AMB 20-1:451 3.00 (# 451:20 Double 0.00, 0.00 )
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
652, 653,
igr2= 642, 643, 642, 643,
&end
#
# 0 AMB 20-2:452 40 LEU HB- 3.00 (# 452:20 Single 0.00, 0.00 )
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
652, 653,
igr2= 642, 643,
&end
#
# 40 LEU HA 40 LEU HB- 3.50 (# 453:20 Unique 2.57, 2.82 A)
&rst
ixpk= 453, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:454 40 LEU HB- 5.50 (# 454:20 Single 0.00, 0.00 )
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
igr2= 642, 643,
&end
#
# 35 TYR HA 35 TYR HB+ 3.00 (# 458:20 Unique 2.24, 2.66 A)
&rst
ixpk= 458, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 564, 565,
&end
#
# 18 ILE QG2 35 TYR HB- 6.00 (# 459:20 Unique 2.49, 4.65 A)
&rst
ixpk= 459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 287, 288, 289,
igr2= 564, 565,
&end
#
# 104 ASP HA 104 ASP HB+ 3.00 (# 460:20 Unique 2.45, 2.80 A)
&rst
ixpk= 460, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1650,1651,
&end
#
# 103 ILE QG2 104 ASP HB+ 3.00 (# 461:20 Unique 2.29, 3.76 A)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1633,1634,1635,
igr2=1650,1651,
&end
#
# 0 AMB 20-2:463 0 AMB 20-1:463 3.00 (# 463:20 Double 0.00, 0.00 )
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1648, 602,
igr2=1650,1651, 676, 677,
&end
#
# 103 ILE QG2 104 ASP HB- 3.00 (# 464:20 Unique 2.29, 3.76 A)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1633,1634,1635,
igr2=1650,1651,
&end
#
# 103 ILE HB 104 ASP HB- 5.50 (# 465:20 Unique 3.76, 4.89 A)
&rst
ixpk= 465, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1650,1651,
&end
#
# 58 ILE HA 58 ILE HB 3.00 (# 467:20 Unique 2.96, 2.99 A)
&rst
ixpk= 467, nxpk= 20, iat= 960, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 58 ILE HG1- 58 ILE HB 3.00 (# 468:20 Unique 2.24, 2.49 A)
&rst
ixpk= 468, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 968, 969,
&end
#
# 58 ILE HG1+ 58 ILE HB 3.00 (# 469:20 Unique 2.24, 2.49 A)
&rst
ixpk= 469, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 968, 969,
&end
#
# 58 ILE QG2 58 ILE HB 3.00 (# 470:20 Unique 2.26, 2.63 A)
&rst
ixpk= 470, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 964, 965, 966,
&end
#
# 0 AMB 20-2:471 58 ILE HB 6.00 (# 471:20 Single 0.00, 0.00 )
&rst
ixpk= 471, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 803, 804, 822, 823,
&end
#
# 100 ILE HG1- 100 ILE HB 3.00 (# 473:20 Unique 2.24, 2.72 A)
&rst
ixpk= 473, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 0 AMB 20-2:474 100 ILE HB 3.00 (# 474:20 Single 0.00, 0.00 )
&rst
ixpk= 474, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1550,1551,1552,1554,1555,1556,1840,1841,1842,1844,
1845,1846,1545,1546,
&end
#
# 100 ILE HG1+ 100 ILE HB 3.00 (# 476:20 Unique 2.24, 2.72 A)
&rst
ixpk= 476, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 100 ILE QG2 100 ILE HB 3.00 (# 477:20 Unique 2.38, 2.63 A)
&rst
ixpk= 477, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1589,1590,1591,
&end
#
# 0 AMB 20-2:478 100 ILE HB 4.00 (# 478:20 Single 0.00, 0.00 )
&rst
ixpk= 478, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,1304,1305,1306,1308,
1309,1310,
&end
#
# 14 ILE HA 14 ILE HB 3.50 (# 479:20 Unique 2.69, 2.81 A)
&rst
ixpk= 479, nxpk= 20, iat= 220, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ILE QD1 14 ILE HB 3.80 (# 480:20 Unique 2.38, 3.24 A)
&rst
ixpk= 480, nxpk= 20, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 231, 232, 233,
&end
#
# 14 ILE QG2 14 ILE HB 3.00 (# 481:20 Unique 2.32, 2.63 A)
&rst
ixpk= 481, nxpk= 20, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 224, 225, 226,
&end
#
# 11 GLU HA 14 ILE HB 4.00 (# 482:20 Unique 3.50, 4.19 A)
&rst
ixpk= 482, nxpk= 20, iat= 164, 222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 ASP HA 71 ASP HB+ 3.00 (# 483:20 Unique 2.35, 2.56 A)
&rst
ixpk= 483, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1161,1162,
&end
#
# 71 ASP HA 71 ASP HB- 3.00 (# 484:20 Unique 2.35, 2.56 A)
&rst
ixpk= 484, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1161,1162,
&end
#
# 113 ILE QG2 113 ILE HB 3.00 (# 485:20 Unique 2.22, 2.63 A)
&rst
ixpk= 485, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1772,1773,1774,
&end
#
# 113 ILE HG1- 113 ILE HB 3.00 (# 486:20 Unique 2.66, 2.84 A)
&rst
ixpk= 486, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1776,1777,
&end
#
# 113 ILE QD1 113 ILE HB 3.00 (# 487:20 Unique 2.03, 2.89 A)
&rst
ixpk= 487, nxpk= 20, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1779,1780,1781,
&end
#
# 85 ILE HA 85 ILE HB 3.00 (# 488:20 Unique 2.48, 2.50 A)
&rst
ixpk= 488, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 85 ILE HG1- 85 ILE HB 3.00 (# 489:20 Unique 2.47, 2.76 A)
&rst
ixpk= 489, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1377,1378,
&end
#
# 85 ILE HG1+ 85 ILE HB 3.00 (# 490:20 Unique 2.47, 2.76 A)
&rst
ixpk= 490, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1377,1378,
&end
#
# 85 ILE QG2 85 ILE HB 3.00 (# 491:20 Unique 2.23, 2.63 A)
&rst
ixpk= 491, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1373,1374,1375,
&end
#
# 14 ILE HA 18 ILE HB 5.00 (# 492:20 Unique 2.94, 3.68 A)
&rst
ixpk= 492, nxpk= 20, iat= 220, 285, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ILE HG1+ 18 ILE HB 4.50 (# 493:20 Unique 2.31, 2.71 A)
&rst
ixpk= 493, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 291, 292,
&end
#
# 18 ILE QD1 18 ILE HB 4.50 (# 494:20 Unique 2.35, 3.23 A)
&rst
ixpk= 494, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 294, 295, 296,
&end
#
# 18 ILE HG1- 18 ILE HB 4.50 (# 495:20 Unique 2.31, 2.71 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 291, 292,
&end
#
# 18 ILE QG2 18 ILE HB 4.50 (# 496:20 Unique 2.26, 2.63 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 287, 288, 289,
&end
#
# 34 TYR HA 34 TYR HB+ 3.00 (# 497:20 Unique 2.64, 2.82 A)
&rst
ixpk= 497, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 543, 544,
&end
#
# 34 TYR HA 34 TYR HB- 3.50 (# 498:20 Unique 2.64, 2.82 A)
&rst
ixpk= 498, nxpk= 20, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 543, 544,
&end
#
# 25 LYS HG- 26 GLU HG+ 4.20 (# 499:20 Unique 2.09, 3.53 A)
&rst
ixpk= 499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 391, 392,
igr2= 413, 414,
&end
#
# 19 ILE QG2 19 ILE HB 3.00 (# 500:20 Unique 2.27, 2.63 A)
&rst
ixpk= 500, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 306, 307, 308,
&end
#
# 26 GLU HA 26 GLU HG+ 3.00 (# 502:20 Unique 2.20, 2.84 A)
&rst
ixpk= 502, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 413, 414,
&end
#
# 19 ILE HG1- 19 ILE HB 3.00 (# 503:20 Unique 2.25, 2.60 A)
&rst
ixpk= 503, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 310, 311,
&end
#
# 22 ALA MB 19 ILE HB 3.00 (# 504:20 Unique 1.96, 3.00 A)
&rst
ixpk= 504, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 351, 352, 353,
&end
#
# 0 AMB 20-2:506 0 AMB 20-1:506 4.00 (# 506:20 Double 0.00, 0.00 )
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 803, 804, 822, 823,
igr2= 999,1000, 999,1000,
&end
#
# 47 LYS HE+ 60 GLU HG- 5.80 (# 508:20 Unique 3.83, 6.36 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 763, 764,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:509 60 GLU HG- 5.00 (# 509:20 Single 0.00, 0.00 )
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 803, 804, 822, 823,
igr2= 999,1000,
&end
#
# 22 ALA MB 27 GLU HG- 5.00 (# 510:20 Unique 4.16, 5.32 A)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 351, 352, 353,
igr2= 428, 429,
&end
#
# 27 GLU HA 27 GLU HG- 3.50 (# 511:20 Unique 3.16, 3.50 A)
&rst
ixpk= 511, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 428, 429,
&end
#
# 26 GLU HB- 27 GLU HG- 4.00 (# 512:20 Unique 3.27, 4.79 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 410, 411,
igr2= 428, 429,
&end
#
# 64 GLU HB- 64 GLU HG+ 3.00 (# 513:20 Unique 2.21, 2.69 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1063,1064,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:514 0 AMB 20-1:514 3.00 (# 514:20 Double 0.00, 0.00 )
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,
igr2=1066,1067,1066,1067,
&end
#
# 0 AMB 20-2:515 0 AMB 20-1:515 3.00 (# 515:20 Double 0.00, 0.00 )
&rst
ixpk= 515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 964, 965, 966,1099,1100,1101,1103,1104,1105,1099,
1100,1101,1103,1104,1105,
igr2= 999,1000,1066,1067,
&end
#
# 69 ALA HA 81 GLU HG+ 4.00 (# 518:20 Unique 2.32, 3.60 A)
&rst
ixpk= 518, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1321,1322,
&end
#
# 70 PRO HD- 81 GLU HG+ 5.50 (# 519:20 Unique 3.64, 4.92 A)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1144,1145,
igr2=1321,1322,
&end
#
# 69 ALA HA 81 GLU HG- 4.00 (# 520:20 Unique 2.32, 3.60 A)
&rst
ixpk= 520, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1321,1322,
&end
#
# 0 AMB 20-2:521 81 GLU HG- 5.00 (# 521:20 Single 0.00, 0.00 )
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1321,1322,
&end
#
# 69 ALA MB 81 GLU HG- 4.50 (# 522:20 Unique 2.02, 4.56 A)
&rst
ixpk= 522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1137,1138,1139,
igr2=1321,1322,
&end
#
# 0 AMB 20-2:523 0 AMB 20-1:523 7.00 (# 523:20 Double 0.00, 0.00 )
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 224, 225, 226, 285,
igr2= 244, 245, 244, 245,
&end
#
# 15 GLU HA 15 GLU HG+ 3.80 (# 525:20 Unique 2.80, 3.30 A)
&rst
ixpk= 525, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 244, 245,
&end
#
# 15 GLU HB- 15 GLU HG+ 3.00 (# 526:20 Unique 2.28, 2.72 A)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 241, 242,
igr2= 244, 245,
&end
#
# 16 THR MG2 15 GLU HG+ 4.00 (# 527:20 Unique 1.98, 3.19 A)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 258, 259, 260,
igr2= 244, 245,
&end
#
# 4 VAL HA 5 GLU HG- 6.00 (# 528:20 Unique 4.59, 5.75 A)
&rst
ixpk= 528, nxpk= 20, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 65, 66,
&end
#
# 5 GLU HA 5 GLU HG- 5.00 (# 529:20 Unique 2.39, 3.72 A)
&rst
ixpk= 529, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 65, 66,
&end
#
# 5 GLU HB+ 5 GLU HG- 5.00 (# 530:20 Unique 2.21, 2.67 A)
&rst
ixpk= 530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 62, 63,
igr2= 65, 66,
&end
#
# 5 GLU HB- 5 GLU HG- 5.00 (# 531:20 Unique 2.21, 2.67 A)
&rst
ixpk= 531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 62, 63,
igr2= 65, 66,
&end
#
# 5 GLU HA 5 GLU HG+ 5.00 (# 532:20 Unique 2.39, 3.72 A)
&rst
ixpk= 532, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 65, 66,
&end
#
# 3 SER HB+ 5 GLU HG+ 7.00 (# 533:20 Unique 3.75, 6.05 A)
&rst
ixpk= 533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 35, 36,
igr2= 65, 66,
&end
#
# 0 AMB 20-2:534 0 AMB 20-1:534 3.00 (# 534:20 Double 0.00, 0.00 )
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 359, 337,
igr2= 364, 365, 364, 365,
&end
#
# 0 AMB 20-2:536 0 AMB 20-1:536 5.00 (# 536:20 Double 0.00, 0.00 )
&rst
ixpk= 536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 359, 268,
igr2= 364, 365, 273, 274,
&end
#
# 63 VAL MGY 63 VAL HB 3.00 (# 537:20 Unique 2.22, 2.63 A)
&rst
ixpk= 537, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL MGX 63 VAL HB 3.00 (# 538:20 Unique 2.22, 2.63 A)
&rst
ixpk= 538, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 73 GLU HA 73 GLU HG- 4.00 (# 539:20 Unique 2.05, 3.11 A)
&rst
ixpk= 539, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1188,1189,
&end
#
# 0 AMB 20-2:540 0 AMB 20-1:540 5.00 (# 540:20 Double 0.00, 0.00 )
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1= 198, 199, 877, 878, 270, 271,
igr2= 273, 274, 984, 985, 273, 274,
&end
#
# 0 AMB 20-2:541 0 AMB 20-1:541 6.00 (# 541:20 Double 0.00, 0.00 )
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1137,1138,1139, 925, 926, 927,
igr2=1188,1189, 984, 985,
&end
#
# 17 GLU HA 17 GLU HG+ 5.00 (# 542:20 Unique 2.77, 3.33 A)
&rst
ixpk= 542, nxpk= 20, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 273, 274,
&end
#
# 59 GLU HA 59 GLU HG- 3.00 (# 544:20 Unique 2.24, 2.99 A)
&rst
ixpk= 544, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 984, 985,
&end
#
# 53 ARG HB- 59 GLU HG- 4.20 (# 545:20 Unique 1.98, 5.37 A)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 877, 878,
igr2= 984, 985,
&end
#
# 66 LEU MDX 43 PRO HB+ 4.00 (# 546:20 Unique 3.05, 5.83 A)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1099,1100,1101,1103,1104,1105,
igr2= 699, 700,
&end
#
# 43 PRO HD+ 43 PRO HB+ 4.50 (# 547:20 Unique 2.98, 3.70 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 699, 700,
&end
#
# 41 GLU HB- 41 GLU HG+ 3.00 (# 549:20 Unique 2.21, 2.70 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 661, 662,
igr2= 664, 665,
&end
#
# 63 VAL MGY 61 LYS HB- 3.00 (# 553:20 Unique 2.95, 5.23 A)
&rst
ixpk= 553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1011,1012,
&end
#
# 125 LYS HG+ 125 LYS HB+ 3.00 (# 554:20 Unique 2.21, 2.63 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1983,1984,
igr2=1980,1981,
&end
#
# 125 LYS HG+ 125 LYS HB- 3.00 (# 556:20 Unique 2.21, 2.63 A)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1983,1984,
igr2=1980,1981,
&end
#
# 48 TRP HB+ 61 LYS HB- 3.50 (# 557:20 Unique 1.91, 2.86 A)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 776, 777,
igr2=1011,1012,
&end
#
# 61 LYS HE- 61 LYS HB- 3.50 (# 558:20 Unique 2.29, 2.82 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1020,1021,
igr2=1011,1012,
&end
#
# 61 LYS HD+ 61 LYS HB- 3.00 (# 559:20 Unique 2.34, 3.34 A)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1017,1018,
igr2=1011,1012,
&end
#
# 0 AMB 20-2:560 61 LYS HB- 3.00 (# 560:20 Single 0.00, 0.00 )
&rst
ixpk= 560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1014,1015,1014,1015,
igr2=1011,1012,
&end
#
# 84 ASP HB- 61 LYS HB- 7.50 (# 561:20 Unique 5.49, 7.00 A)
&rst
ixpk= 561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1=1359,1360,
igr2=1011,1012,
&end
#
# 48 TRP HB+ 61 LYS HB+ 4.00 (# 562:20 Unique 1.91, 2.86 A)
&rst
ixpk= 562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 776, 777,
igr2=1011,1012,
&end
#
# 61 LYS HE- 61 LYS HB+ 4.00 (# 563:20 Unique 2.29, 2.82 A)
&rst
ixpk= 563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1020,1021,
igr2=1011,1012,
&end
#
# 48 TRP HB- 61 LYS HB+ 3.50 (# 564:20 Unique 1.91, 2.86 A)
&rst
ixpk= 564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 776, 777,
igr2=1011,1012,
&end
#
# 0 AMB 20-2:565 0 AMB 20-1:565 3.00 (# 565:20 Double 0.00, 0.00 )
&rst
ixpk= 565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1014,1015,1014,1015,
igr2=1011,1012,1011,1012,
&end
#
# 63 VAL MGY 61 LYS HB+ 4.50 (# 566:20 Unique 2.95, 5.23 A)
&rst
ixpk= 566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1011,1012,
&end
#
# 8 GLU HA 8 GLU HG+ 3.80 (# 568:20 Unique 2.61, 3.15 A)
&rst
ixpk= 568, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 116, 117,
&end
#
# 8 GLU HB- 8 GLU HG+ 3.00 (# 569:20 Unique 2.21, 2.69 A)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 113, 114,
igr2= 116, 117,
&end
#
# 63 VAL MGY 82 VAL HB 4.00 (# 570:20 Unique 2.00, 4.44 A)
&rst
ixpk= 570, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 8 GLU HB- 11 GLU HG+ 6.00 (# 571:20 Unique 4.33, 6.39 A)
&rst
ixpk= 571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 113, 114,
igr2= 169, 170,
&end
#
# 8 GLU HA 11 GLU HG- 4.00 (# 572:20 Unique 3.05, 4.36 A)
&rst
ixpk= 572, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 169, 170,
&end
#
# 0 AMB 20-2:573 82 VAL HB 3.00 (# 573:20 Single 0.00, 0.00 )
&rst
ixpk= 573, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
1085,1086,
&end
#
# 82 VAL MGX 82 VAL HB 3.00 (# 574:20 Unique 2.22, 2.63 A)
&rst
ixpk= 574, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 78 MET HG- 78 MET HB+ 3.00 (# 575:20 Unique 2.27, 2.57 A)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1267,1268,
igr2=1264,1265,
&end
#
# 76 LYS HG+ 76 LYS HB+ 3.00 (# 577:20 Unique 2.21, 2.67 A)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1233,1234,
igr2=1230,1231,
&end
#
# 80 VAL MGX 80 VAL HB 3.00 (# 579:20 Unique 2.22, 2.63 A)
&rst
ixpk= 579, nxpk= 20, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 109 THR HB 105 VAL HB 4.30 (# 580:20 Unique 1.96, 2.17 A)
&rst
ixpk= 580, nxpk= 20, iat=1714,1662, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 105 VAL MGY 105 VAL HB 3.00 (# 581:20 Unique 2.27, 2.63 A)
&rst
ixpk= 581, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 47 LYS HE+ 47 LYS HB+ 4.70 (# 582:20 Unique 2.79, 4.20 A)
&rst
ixpk= 582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 763, 764,
igr2= 754, 755,
&end
#
# 101 GLU HB+ 47 LYS HB- 3.00 (# 584:20 Unique 1.82, 2.79 A)
&rst
ixpk= 584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1606,1607,
igr2= 754, 755,
&end
#
# 47 LYS HG+ 47 LYS HB- 3.00 (# 585:20 Unique 2.30, 2.56 A)
&rst
ixpk= 585, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 754, 755,
&end
#
# 4 VAL HA 4 VAL HB 3.00 (# 588:20 Unique 2.44, 2.87 A)
&rst
ixpk= 588, nxpk= 20, iat= 44, 46, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:589 4 VAL HB 4.00 (# 589:20 Single 0.00, 0.00 )
&rst
ixpk= 589, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 25, 26, 27,1918,1919,1920,
&end
#
# 4 VAL MGY 4 VAL HB 3.00 (# 590:20 Unique 2.24, 2.63 A)
&rst
ixpk= 590, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 0 AMB 20-2:591 92 VAL HB 3.00 (# 591:20 Single 0.00, 0.00 )
&rst
ixpk= 591, nxpk= 20, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 30 MET ME 30 MET HB+ 4.00 (# 592:20 Unique 3.72, 4.57 A)
&rst
ixpk= 592, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 481, 482, 483,
igr2= 474, 475,
&end
#
# 30 MET HA 30 MET HB- 3.50 (# 593:20 Unique 2.40, 2.73 A)
&rst
ixpk= 593, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 474, 475,
&end
#
# 110 GLN HA 110 GLN HG+ 3.00 (# 594:20 Unique 2.24, 3.16 A)
&rst
ixpk= 594, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1731,1732,
&end
#
# 110 GLN HB+ 110 GLN HG+ 3.50 (# 595:20 Unique 2.23, 2.56 A)
&rst
ixpk= 595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1728,1729,
igr2=1731,1732,
&end
#
# 102 ALA MB 110 GLN HG+ 5.00 (# 596:20 Unique 1.97, 4.17 A)
&rst
ixpk= 596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1621,1622,1623,
igr2=1731,1732,
&end
#
# 105 VAL MGX 110 GLN HG+ 4.00 (# 597:20 Unique 2.65, 5.34 A)
&rst
ixpk= 597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1731,1732,
&end
#
# 0 AMB 20-2:598 0 AMB 20-1:598 5.00 (# 598:20 Double 0.00, 0.00 )
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1688,1629,
igr2=1731,1732,1731,1732,
&end
#
# 50 LYS HA 50 LYS HB+ 3.00 (# 600:20 Unique 2.46, 2.78 A)
&rst
ixpk= 600, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 50 LYS HA 50 LYS HB- 3.00 (# 601:20 Unique 2.46, 2.78 A)
&rst
ixpk= 601, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 30 MET HG+ 30 MET HB+ 3.00 (# 602:20 Unique 2.38, 2.57 A)
&rst
ixpk= 602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET HG- 30 MET HB+ 3.00 (# 603:20 Unique 2.38, 2.57 A)
&rst
ixpk= 603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET HG+ 30 MET HB- 3.00 (# 604:20 Unique 2.38, 2.57 A)
&rst
ixpk= 604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET HG- 30 MET HB- 4.00 (# 605:20 Unique 2.38, 2.57 A)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 477, 478,
igr2= 474, 475,
&end
#
# 30 MET ME 30 MET HB- 4.00 (# 606:20 Unique 3.72, 4.57 A)
&rst
ixpk= 606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 481, 482, 483,
igr2= 474, 475,
&end
#
# 50 LYS HE+ 50 LYS HB+ 4.00 (# 607:20 Unique 2.24, 3.48 A)
&rst
ixpk= 607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 831, 832,
igr2= 822, 823,
&end
#
# 85 ILE QD1 45 MET HB- 4.00 (# 609:20 Unique 2.25, 3.83 A)
&rst
ixpk= 609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1380,1381,1382,
igr2= 730, 731,
&end
#
# 45 MET HG+ 45 MET HB- 3.00 (# 610:20 Unique 2.21, 2.68 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 54 LYS HA 54 LYS HB+ 3.00 (# 612:20 Unique 2.33, 2.74 A)
&rst
ixpk= 612, nxpk= 20, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 901, 902,
&end
#
# 55 THR MG2 54 LYS HB+ 6.00 (# 613:20 Unique 3.31, 5.13 A)
&rst
ixpk= 613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 925, 926, 927,
igr2= 901, 902,
&end
#
# 51 LYS HG+ 51 LYS HB+ 3.00 (# 614:20 Unique 2.21, 2.65 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 847, 848,
igr2= 844, 845,
&end
#
# 51 LYS HA 51 LYS HB- 3.00 (# 615:20 Unique 2.29, 2.81 A)
&rst
ixpk= 615, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 844, 845,
&end
#
# 51 LYS HG+ 51 LYS HB- 3.00 (# 616:20 Unique 2.21, 2.65 A)
&rst
ixpk= 616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 847, 848,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:617 51 LYS HB- 5.50 (# 617:20 Single 0.00, 0.00 )
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 937, 938, 820,
igr2= 844, 845,
&end
#
# 45 MET HG- 45 MET HB- 3.00 (# 621:20 Unique 2.21, 2.68 A)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 45 MET HG+ 45 MET HB+ 3.00 (# 622:20 Unique 2.21, 2.68 A)
&rst
ixpk= 622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 45 MET HG- 45 MET HB+ 3.00 (# 623:20 Unique 2.21, 2.68 A)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 733, 734,
igr2= 730, 731,
&end
#
# 88 LYS HA 88 LYS HB+ 3.50 (# 628:20 Unique 2.28, 2.65 A)
&rst
ixpk= 628, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1404,1405,
&end
#
# 88 LYS HE+ 88 LYS HB+ 4.50 (# 629:20 Unique 2.00, 3.52 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1413,1414,
igr2=1404,1405,
&end
#
# 88 LYS HG+ 88 LYS HB+ 3.50 (# 631:20 Unique 2.22, 2.60 A)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1407,1408,
igr2=1404,1405,
&end
#
# 0 AMB 20-2:632 0 AMB 20-1:632 3.50 (# 632:20 Double 0.00, 0.00 )
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 904, 905,1407,1408,
igr2= 901, 902,1404,1405,
&end
#
# 84 ASP HB+ 88 LYS HB- 5.50 (# 633:20 Unique 3.40, 5.16 A)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1359,1360,
igr2=1404,1405,
&end
#
# 88 LYS HA 88 LYS HB- 3.50 (# 635:20 Unique 2.28, 2.65 A)
&rst
ixpk= 635, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1404,1405,
&end
#
# 45 MET HB- 45 MET HG+ 3.00 (# 637:20 Unique 2.21, 2.68 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 730, 731,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:638 0 AMB 20-1:638 3.00 (# 638:20 Double 0.00, 0.00 )
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 730, 731, 737, 738, 739,
igr2= 733, 734, 733, 734,
&end
#
# 103 ILE HB 45 MET HG+ 3.00 (# 639:20 Unique 1.86, 2.42 A)
&rst
ixpk= 639, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:640 0 AMB 20-1:640 4.00 (# 640:20 Double 0.00, 0.00 )
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1035,1036,1037,1377,1378,
igr2= 733, 734, 733, 734,
&end
#
# 85 ILE QD1 45 MET HG+ 4.00 (# 641:20 Unique 4.46, 5.29 A)
&rst
ixpk= 641, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1380,1381,1382,
igr2= 733, 734,
&end
#
# 103 ILE HB 45 MET HG- 3.00 (# 642:20 Unique 1.86, 2.42 A)
&rst
ixpk= 642, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 733, 734,
&end
#
# 44 PHE HB- 45 MET HG- 7.50 (# 643:20 Unique 5.25, 6.48 A)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.45, r4= 9.95,
igr1= 710, 711,
igr2= 733, 734,
&end
#
# 45 MET HB- 45 MET HG- 3.00 (# 644:20 Unique 2.21, 2.68 A)
&rst
ixpk= 644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 730, 731,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:645 45 MET HG- 3.00 (# 645:20 Single 0.00, 0.00 )
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 730, 731, 737, 738, 739,
igr2= 733, 734,
&end
#
# 85 ILE QD1 45 MET HG- 4.00 (# 646:20 Unique 4.46, 5.29 A)
&rst
ixpk= 646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1380,1381,1382,
igr2= 733, 734,
&end
#
# 23 GLU HA 23 GLU HB- 3.00 (# 650:20 Unique 2.39, 2.73 A)
&rst
ixpk= 650, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 361, 362,
&end
#
# 49 LYS HA 49 LYS HB- 3.00 (# 652:20 Unique 2.30, 2.67 A)
&rst
ixpk= 652, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 800, 801,
&end
#
# 70 PRO HA 70 PRO HB+ 3.00 (# 653:20 Unique 2.30, 2.51 A)
&rst
ixpk= 653, nxpk= 20, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1150,1151,
&end
#
# 23 GLU HG+ 23 GLU HB+ 3.00 (# 655:20 Unique 2.21, 2.68 A)
&rst
ixpk= 655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 364, 365,
igr2= 361, 362,
&end
#
# 78 MET HB- 78 MET HG+ 3.00 (# 656:20 Unique 2.27, 2.57 A)
&rst
ixpk= 656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 78 MET HB- 78 MET HG- 3.00 (# 657:20 Unique 2.27, 2.57 A)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1264,1265,
igr2=1267,1268,
&end
#
# 0 AMB 20-2:663 0 AMB 20-1:663 3.50 (# 663:20 Double 0.00, 0.00 )
&rst
ixpk= 663, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,1550,1551,1552,1554,1555,1556,
igr2=1063,1064,1063,1064,1123,1124,
&end
#
# 0 AMB 20-2:664 64 GLU HB- 4.00 (# 664:20 Single 0.00, 0.00 )
&rst
ixpk= 664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1099,1100,1101,1103,1104,1105,1099,1100,1101,1103,
1104,1105,
igr2=1063,1064,
&end
#
# 85 ILE QD1 64 GLU HB- 4.00 (# 665:20 Unique 2.72, 4.43 A)
&rst
ixpk= 665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1380,1381,1382,
igr2=1063,1064,
&end
#
# 49 LYS HE+ 101 GLU HB+ 5.50 (# 668:20 Unique 3.32, 5.00 A)
&rst
ixpk= 668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 809, 810,
igr2=1606,1607,
&end
#
# 49 LYS HE+ 101 GLU HB- 4.00 (# 669:20 Unique 3.32, 5.00 A)
&rst
ixpk= 669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 809, 810,
igr2=1606,1607,
&end
#
# 47 LYS HE+ 60 GLU HB+ 5.00 (# 671:20 Unique 1.93, 5.20 A)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 763, 764,
igr2= 996, 997,
&end
#
# 47 LYS HG+ 60 GLU HB+ 3.50 (# 672:20 Unique 1.84, 3.26 A)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 757, 758,
igr2= 996, 997,
&end
#
# 59 GLU HA 59 GLU HB+ 3.00 (# 674:20 Unique 2.57, 2.82 A)
&rst
ixpk= 674, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 981, 982,
&end
#
# 59 GLU HA 59 GLU HB- 3.00 (# 675:20 Unique 2.57, 2.82 A)
&rst
ixpk= 675, nxpk= 20, iat= 979, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 981, 982,
&end
#
# 63 VAL MGX 48 TRP HB+ 4.00 (# 677:20 Unique 2.28, 4.39 A)
&rst
ixpk= 677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 63 VAL MGY 48 TRP HB- 5.00 (# 679:20 Unique 2.28, 4.39 A)
&rst
ixpk= 679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 63 VAL MGX 48 TRP HB- 4.00 (# 680:20 Unique 2.28, 4.39 A)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 63 VAL MGY 48 TRP HB+ 4.00 (# 681:20 Unique 2.28, 4.39 A)
&rst
ixpk= 681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2= 776, 777,
&end
#
# 100 ILE QD1 48 TRP HB+ 4.00 (# 682:20 Unique 1.80, 4.20 A)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1596,1597,1598,
igr2= 776, 777,
&end
#
# 100 ILE QD1 48 TRP HB- 4.00 (# 683:20 Unique 1.80, 4.20 A)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1596,1597,1598,
igr2= 776, 777,
&end
#
# 6 ARG HD+ 6 ARG HB+ 4.00 (# 684:20 Unique 2.08, 3.34 A)
&rst
ixpk= 684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 6 ARG HD- 6 ARG HB+ 4.00 (# 685:20 Unique 2.08, 3.34 A)
&rst
ixpk= 685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 6 ARG HA 6 ARG HB- 4.00 (# 686:20 Unique 2.24, 2.46 A)
&rst
ixpk= 686, nxpk= 20, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 77, 78,
&end
#
# 6 ARG HD+ 6 ARG HB- 3.00 (# 687:20 Unique 2.08, 3.34 A)
&rst
ixpk= 687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 6 ARG HD- 6 ARG HB- 3.00 (# 689:20 Unique 2.08, 3.34 A)
&rst
ixpk= 689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 77, 78,
&end
#
# 20 VAL HA 20 VAL HB 3.00 (# 693:20 Unique 2.68, 2.99 A)
&rst
ixpk= 693, nxpk= 20, iat= 321, 323, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:694 20 VAL HB 3.00 (# 694:20 Single 0.00, 0.00 )
&rst
ixpk= 694, nxpk= 20, iat= -1, 323, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 0 AMB 20-2:695 0 AMB 20-1:695 3.00 (# 695:20 Double 0.00, 0.00 )
&rst
ixpk= 695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1318,1319,1318,1319,
&end
#
# 0 AMB 20-2:696 81 GLU HB- 3.00 (# 696:20 Single 0.00, 0.00 )
&rst
ixpk= 696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1318,1319,
&end
#
# 0 AMB 20-2:699 0 AMB 20-1:699 3.00 (# 699:20 Double 0.00, 0.00 )
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 239, 423,
igr2= 241, 242, 425, 426,
&end
#
# 22 ALA MB 27 GLU HB+ 3.00 (# 700:20 Unique 1.88, 3.19 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 351, 352, 353,
igr2= 425, 426,
&end
#
# 0 AMB 20-2:701 0 AMB 20-1:701 4.00 (# 701:20 Double 0.00, 0.00 )
&rst
ixpk= 701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 258, 259, 260, 313, 314, 315,
igr2= 241, 242, 241, 242,
&end
#
# 5 GLU HA 5 GLU HB+ 4.50 (# 702:20 Unique 2.35, 2.48 A)
&rst
ixpk= 702, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 62, 63,
&end
#
# 15 GLU HA 15 GLU HB- 3.00 (# 704:20 Unique 2.25, 2.61 A)
&rst
ixpk= 704, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 241, 242,
&end
#
# 0 AMB 20-2:705 15 GLU HB- 3.00 (# 705:20 Single 0.00, 0.00 )
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 258, 259, 260, 313, 314, 315,
igr2= 241, 242,
&end
#
# 113 ILE HA 113 ILE HG1+ 3.00 (# 706:20 Unique 2.16, 2.73 A)
&rst
ixpk= 706, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1776,1777,
&end
#
# 113 ILE QD1 113 ILE HG1+ 3.00 (# 708:20 Unique 2.21, 2.62 A)
&rst
ixpk= 708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1779,1780,1781,
igr2=1776,1777,
&end
#
# 0 AMB 20-2:709 5 GLU HB- 4.50 (# 709:20 Single 0.00, 0.00 )
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 65, 66, 65, 66,
igr2= 62, 63,
&end
#
# 5 GLU HA 5 GLU HB- 4.50 (# 710:20 Unique 2.35, 2.48 A)
&rst
ixpk= 710, nxpk= 20, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 62, 63,
&end
#
# 13 ARG HG+ 13 ARG HB- 3.00 (# 711:20 Unique 2.23, 2.68 A)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 201, 202,
igr2= 198, 199,
&end
#
# 13 ARG HG- 13 ARG HB- 3.00 (# 712:20 Unique 2.23, 2.68 A)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 201, 202,
igr2= 198, 199,
&end
#
# 53 ARG HA 53 ARG HB+ 3.00 (# 713:20 Unique 2.32, 2.75 A)
&rst
ixpk= 713, nxpk= 20, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 877, 878,
&end
#
# 53 ARG HA 53 ARG HB- 3.00 (# 715:20 Unique 2.32, 2.75 A)
&rst
ixpk= 715, nxpk= 20, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 877, 878,
&end
#
# 97 LEU MDX 113 ILE HG1- 3.00 (# 716:20 Unique 2.00, 4.13 A)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1550,1551,1552,1554,1555,1556,
igr2=1776,1777,
&end
#
# 111 GLU HA 111 GLU HB+ 3.00 (# 718:20 Unique 2.50, 2.78 A)
&rst
ixpk= 718, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1745,1746,
&end
#
# 73 GLU HA 73 GLU HB- 3.00 (# 719:20 Unique 2.33, 2.74 A)
&rst
ixpk= 719, nxpk= 20, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1185,1186,
&end
#
# 0 AMB 20-2:720 13 ARG HB- 3.00 (# 720:20 Single 0.00, 0.00 )
&rst
ixpk= 720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 196, 140,
igr2= 198, 199,
&end
#
# 0 AMB 20-2:722 0 AMB 20-1:722 3.00 (# 722:20 Double 0.00, 0.00 )
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 140, 196,
igr2= 145, 146, 198, 199, 198, 199,
&end
#
# 25 LYS HE+ 25 LYS HD+ 3.00 (# 723:20 Unique 2.22, 2.67 A)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 397, 398,
igr2= 394, 395,
&end
#
# 96 LYS HG- 96 LYS HD+ 3.00 (# 724:20 Unique 2.22, 2.66 A)
&rst
ixpk= 724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1526,1527,
igr2=1529,1530,
&end
#
# 65 VAL MGX 65 VAL HB 3.00 (# 725:20 Unique 2.22, 2.63 A)
&rst
ixpk= 725, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 78 MET ME 74 CYS HB+ 4.00 (# 727:20 Unique 2.00, 3.97 A)
&rst
ixpk= 727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1271,1272,1273,
igr2=1200,1201,
&end
#
# 0 AMB 20-2:728 0 AMB 20-1:728 3.00 (# 728:20 Double 0.00, 0.00 )
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1211,1212,1233,1234,
igr2=1236,1237,1236,1237,
&end
#
# 58 ILE QG2 49 LYS HD+ 4.00 (# 733:20 Unique 2.71, 4.86 A)
&rst
ixpk= 733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 964, 965, 966,
igr2= 806, 807,
&end
#
# 0 AMB 20-2:734 0 AMB 20-1:734 3.00 (# 734:20 Double 0.00, 0.00 )
&rst
ixpk= 734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1989,1990, 809, 810,
igr2=1986,1987, 806, 807,
&end
#
# 0 AMB 20-2:735 0 AMB 20-1:735 3.00 (# 735:20 Double 0.00, 0.00 )
&rst
ixpk= 735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1983,1984, 847, 848,
igr2=1986,1987, 850, 851,
&end
#
# 0 AMB 20-2:736 0 AMB 20-1:736 5.50 (# 736:20 Double 0.00, 0.00 )
&rst
ixpk= 736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 820, 937, 938,
igr2= 850, 851, 850, 851,
&end
#
# 0 AMB 20-2:737 0 AMB 20-1:737 3.00 (# 737:20 Double 0.00, 0.00 )
&rst
ixpk= 737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 757, 758,1014,1015,1014,1015,
igr2= 760, 761,1017,1018,1017,1018,
&end
#
# 63 VAL MGY 61 LYS HD+ 4.00 (# 738:20 Unique 2.31, 5.25 A)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1017,1018,
&end
#
# 6 ARG HA 6 ARG HG+ 4.50 (# 739:20 Unique 3.47, 3.86 A)
&rst
ixpk= 739, nxpk= 20, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 80, 81,
&end
#
# 50 LYS HA 50 LYS HD+ 5.00 (# 740:20 Unique 3.70, 4.35 A)
&rst
ixpk= 740, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 828, 829,
&end
#
# 50 LYS HE+ 50 LYS HD+ 3.00 (# 741:20 Unique 2.22, 2.66 A)
&rst
ixpk= 741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 831, 832,
igr2= 828, 829,
&end
#
# 50 LYS HB+ 50 LYS HD+ 3.00 (# 742:20 Unique 2.03, 3.17 A)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 822, 823,
igr2= 828, 829,
&end
#
# 50 LYS HE+ 50 LYS HD- 3.00 (# 743:20 Unique 2.22, 2.66 A)
&rst
ixpk= 743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 831, 832,
igr2= 828, 829,
&end
#
# 50 LYS HB+ 50 LYS HD- 3.80 (# 744:20 Unique 2.03, 3.17 A)
&rst
ixpk= 744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 822, 823,
igr2= 828, 829,
&end
#
# 8 GLU HB- 11 GLU HB- 5.00 (# 745:20 Unique 3.45, 5.47 A)
&rst
ixpk= 745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 113, 114,
igr2= 166, 167,
&end
#
# 26 GLU HA 26 GLU HB+ 3.00 (# 747:20 Unique 2.43, 2.77 A)
&rst
ixpk= 747, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 410, 411,
&end
#
# 26 GLU HG+ 26 GLU HB+ 3.00 (# 748:20 Unique 2.23, 2.71 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 413, 414,
igr2= 410, 411,
&end
#
# 75 LEU MDX 26 GLU HB+ 5.00 (# 749:20 Unique 2.94, 5.50 A)
&rst
ixpk= 749, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1216,1217,1218,1220,1221,1222,
igr2= 410, 411,
&end
#
# 0 AMB 20-2:750 0 AMB 20-1:750 3.00 (# 750:20 Double 0.00, 0.00 )
&rst
ixpk= 750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1688,1743,
igr2=1728,1729,1728,1729,
&end
#
# 105 VAL MGX 110 GLN HB+ 3.00 (# 751:20 Unique 2.26, 4.98 A)
&rst
ixpk= 751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1728,1729,
&end
#
# 0 AMB 20-2:752 0 AMB 20-1:752 3.00 (# 752:20 Double 0.00, 0.00 )
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1731,1732, 413, 414,
igr2=1728,1729, 410, 411,
&end
#
# 75 LEU MDX 26 GLU HB- 4.00 (# 753:20 Unique 2.94, 5.50 A)
&rst
ixpk= 753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1216,1217,1218,1220,1221,1222,
igr2= 410, 411,
&end
#
# 26 GLU HA 26 GLU HB- 3.00 (# 754:20 Unique 2.43, 2.77 A)
&rst
ixpk= 754, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 410, 411,
&end
#
# 107 ASP HA 110 GLN HB- 3.50 (# 756:20 Unique 3.00, 3.45 A)
&rst
ixpk= 756, nxpk= 20, iat=1688, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1728,1729,
&end
#
# 110 GLN HA 110 GLN HB- 3.00 (# 757:20 Unique 2.58, 2.81 A)
&rst
ixpk= 757, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 105 VAL MGX 110 GLN HB- 4.00 (# 758:20 Unique 2.26, 4.98 A)
&rst
ixpk= 758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1728,1729,
&end
#
# 6 ARG HD+ 6 ARG HG+ 3.00 (# 760:20 Unique 2.22, 2.65 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 6 ARG HD- 6 ARG HG+ 3.00 (# 761:20 Unique 2.22, 2.65 A)
&rst
ixpk= 761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 83, 84,
igr2= 80, 81,
&end
#
# 11 GLU HA 11 GLU HB- 3.50 (# 762:20 Unique 2.33, 2.76 A)
&rst
ixpk= 762, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 166, 167,
&end
#
# 11 GLU HG+ 11 GLU HB- 3.50 (# 763:20 Unique 2.21, 2.68 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 169, 170,
igr2= 166, 167,
&end
#
# 0 AMB 20-2:764 0 AMB 20-1:764 3.00 (# 764:20 Double 0.00, 0.00 )
&rst
ixpk= 764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1144,1145,1726,
igr2=1147,1148,1728,1729,
&end
#
# 41 GLU HA 41 GLU HB+ 3.00 (# 765:20 Unique 2.26, 2.45 A)
&rst
ixpk= 765, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 661, 662,
&end
#
# 70 PRO HD+ 70 PRO HG+ 3.00 (# 768:20 Unique 2.30, 2.58 A)
&rst
ixpk= 768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1144,1145,
igr2=1147,1148,
&end
#
# 70 PRO HD+ 70 PRO HG- 3.00 (# 769:20 Unique 2.30, 2.58 A)
&rst
ixpk= 769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1144,1145,
igr2=1147,1148,
&end
#
# 41 GLU HA 41 GLU HB- 3.00 (# 770:20 Unique 2.26, 2.45 A)
&rst
ixpk= 770, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 661, 662,
&end
#
# 13 ARG HA 13 ARG HG- 4.00 (# 771:20 Unique 2.48, 3.18 A)
&rst
ixpk= 771, nxpk= 20, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 201, 202,
&end
#
# 13 ARG HD+ 13 ARG HG- 3.00 (# 772:20 Unique 2.32, 2.66 A)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 204, 205,
igr2= 201, 202,
&end
#
# 13 ARG HD+ 13 ARG HG+ 3.20 (# 773:20 Unique 2.32, 2.66 A)
&rst
ixpk= 773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 204, 205,
igr2= 201, 202,
&end
#
# 13 ARG HB+ 13 ARG HG+ 3.20 (# 774:20 Unique 2.23, 2.68 A)
&rst
ixpk= 774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 198, 199,
igr2= 201, 202,
&end
#
# 40 LEU HA 40 LEU HG 3.00 (# 775:20 Unique 2.41, 2.64 A)
&rst
ixpk= 775, nxpk= 20, iat= 640, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR MG2 40 LEU HG 4.00 (# 776:20 Unique 1.97, 3.14 A)
&rst
ixpk= 776, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1716,1717,1718,
&end
#
# 40 LEU HB- 40 LEU HG 3.50 (# 777:20 Unique 2.22, 2.69 A)
&rst
ixpk= 777, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 642, 643,
&end
#
# 58 ILE HA 58 ILE HG1- 3.00 (# 778:20 Unique 2.12, 2.96 A)
&rst
ixpk= 778, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 968, 969,
&end
#
# 0 AMB 20-2:779 58 ILE HG1- 3.00 (# 779:20 Single 0.00, 0.00 )
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 844, 845, 962,
igr2= 968, 969,
&end
#
# 58 ILE QD1 58 ILE HG1- 3.00 (# 780:20 Unique 2.21, 2.62 A)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 971, 972, 973,
igr2= 968, 969,
&end
#
# 85 ILE HB 85 ILE HG1- 3.00 (# 781:20 Unique 2.47, 2.76 A)
&rst
ixpk= 781, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1377,1378,
&end
#
# 58 ILE HA 58 ILE HG1+ 3.50 (# 782:20 Unique 2.12, 2.96 A)
&rst
ixpk= 782, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 968, 969,
&end
#
# 0 AMB 20-2:783 0 AMB 20-1:783 3.00 (# 783:20 Double 0.00, 0.00 )
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 844, 845, 962,
igr2= 968, 969, 968, 969,
&end
#
# 58 ILE QD1 58 ILE HG1+ 3.00 (# 784:20 Unique 2.21, 2.62 A)
&rst
ixpk= 784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 971, 972, 973,
igr2= 968, 969,
&end
#
# 36 LEU MDY 36 LEU HG 3.00 (# 787:20 Unique 2.21, 2.63 A)
&rst
ixpk= 787, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 53 ARG HD+ 53 ARG HG+ 3.00 (# 791:20 Unique 2.22, 2.71 A)
&rst
ixpk= 791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 883, 884,
igr2= 880, 881,
&end
#
# 75 LEU HA 75 LEU HG 3.80 (# 792:20 Unique 3.12, 3.18 A)
&rst
ixpk= 792, nxpk= 20, iat=1209,1214, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 75 LEU MDY 75 LEU HG 3.00 (# 793:20 Unique 2.22, 2.63 A)
&rst
ixpk= 793, nxpk= 20, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU MDX 75 LEU HG 3.00 (# 794:20 Unique 2.22, 2.63 A)
&rst
ixpk= 794, nxpk= 20, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 85 ILE HA 85 ILE HG1+ 4.00 (# 796:20 Unique 3.68, 3.71 A)
&rst
ixpk= 796, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1377,1378,
&end
#
# 85 ILE QG2 85 ILE HG1+ 3.00 (# 797:20 Unique 2.26, 3.48 A)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1373,1374,1375,
igr2=1377,1378,
&end
#
# 36 LEU MDX 36 LEU HG 3.00 (# 800:20 Unique 2.21, 2.63 A)
&rst
ixpk= 800, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 117 LEU HA 117 LEU HG 3.80 (# 801:20 Unique 2.56, 2.84 A)
&rst
ixpk= 801, nxpk= 20, iat=1833,1838, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 117 LEU HB+ 117 LEU HG 3.00 (# 803:20 Unique 2.40, 2.76 A)
&rst
ixpk= 803, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1835,1836,
&end
#
# 117 LEU MDX 117 LEU HG 3.00 (# 804:20 Unique 2.21, 2.63 A)
&rst
ixpk= 804, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:805 97 LEU HG 3.00 (# 805:20 Single 0.00, 0.00 )
&rst
ixpk= 805, nxpk= 20, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1550,1551,1552,1554,1555,1556,1545,1546,
&end
#
# 0 AMB 20-2:806 97 LEU HG 3.00 (# 806:20 Single 0.00, 0.00 )
&rst
ixpk= 806, nxpk= 20, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1550,1551,1552,1554,1555,1556,1264,1265,
&end
#
# 103 ILE HA 103 ILE HG1- 3.00 (# 807:20 Unique 2.22, 2.87 A)
&rst
ixpk= 807, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1637,1638,
&end
#
# 103 ILE QD1 103 ILE HG1- 3.00 (# 808:20 Unique 2.21, 2.62 A)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1640,1641,1642,
igr2=1637,1638,
&end
#
# 103 ILE HA 103 ILE HG1+ 3.00 (# 809:20 Unique 2.22, 2.87 A)
&rst
ixpk= 809, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1637,1638,
&end
#
# 97 LEU HA 97 LEU MDY 4.00 (# 810:20 Unique 1.94, 3.44 A)
&rst
ixpk= 810, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 113 ILE HA 97 LEU MDY 4.80 (# 811:20 Unique 1.92, 4.37 A)
&rst
ixpk= 811, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 0 AMB 20-2:812 97 LEU MDY 3.00 (# 812:20 Single 0.00, 0.00 )
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1127,1128,1129,1548,1523,1524,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 97 LEU HB+ 97 LEU MDY 3.00 (# 813:20 Unique 2.04, 3.43 A)
&rst
ixpk= 813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1545,1546,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 114 ALA HA 117 LEU HG 4.00 (# 815:20 Unique 3.10, 3.56 A)
&rst
ixpk= 815, nxpk= 20, iat=1787,1838, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 19 ILE HB 19 ILE HG1- 3.00 (# 816:20 Unique 2.25, 2.60 A)
&rst
ixpk= 816, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 310, 311,
&end
#
# 15 GLU HA 19 ILE HG1+ 4.00 (# 818:20 Unique 1.99, 3.30 A)
&rst
ixpk= 818, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 310, 311,
&end
#
# 103 ILE QD1 103 ILE HG1+ 3.00 (# 819:20 Unique 2.21, 2.62 A)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1640,1641,1642,
igr2=1637,1638,
&end
#
# 96 LYS HE+ 96 LYS HG+ 4.00 (# 822:20 Unique 2.14, 3.37 A)
&rst
ixpk= 822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1532,1533,
igr2=1526,1527,
&end
#
# 100 ILE HB 100 ILE HG1- 3.00 (# 823:20 Unique 2.24, 2.72 A)
&rst
ixpk= 823, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 100 ILE QG2 100 ILE HG1- 3.50 (# 824:20 Unique 2.37, 3.41 A)
&rst
ixpk= 824, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1589,1590,1591,
igr2=1593,1594,
&end
#
# 100 ILE QD1 100 ILE HG1- 3.00 (# 825:20 Unique 2.22, 2.62 A)
&rst
ixpk= 825, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1596,1597,1598,
igr2=1593,1594,
&end
#
# 0 AMB 20-2:826 0 AMB 20-1:826 3.00 (# 826:20 Double 0.00, 0.00 )
&rst
ixpk= 826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1587, 244, 245,
igr2=1593,1594, 310, 311,
&end
#
# 0 AMB 20-2:827 0 AMB 20-1:827 3.00 (# 827:20 Double 0.00, 0.00 )
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
1085,1086,
igr2=1593,1594,1593,1594,
&end
#
# 100 ILE QD1 100 ILE HG1+ 3.00 (# 828:20 Unique 2.22, 2.62 A)
&rst
ixpk= 828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1596,1597,1598,
igr2=1593,1594,
&end
#
# 100 ILE QG2 100 ILE HG1+ 3.50 (# 829:20 Unique 2.37, 3.41 A)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1589,1590,1591,
igr2=1593,1594,
&end
#
# 96 LYS HE- 96 LYS HG- 4.00 (# 830:20 Unique 2.14, 3.37 A)
&rst
ixpk= 830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1532,1533,
igr2=1526,1527,
&end
#
# 0 AMB 20-2:831 96 LYS HG- 3.00 (# 831:20 Single 0.00, 0.00 )
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1529,1530,1523,1524,
igr2=1526,1527,
&end
#
# 36 LEU HG 40 LEU MDX 4.00 (# 832:20 Unique 2.04, 3.57 A)
&rst
ixpk= 832, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:833 40 LEU MDX 3.00 (# 833:20 Single 0.00, 0.00 )
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 640, 583,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:834 40 LEU MDX 4.00 (# 834:20 Single 0.00, 0.00 )
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1776,1777,1123,1124,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:835 40 LEU MDX 3.00 (# 835:20 Single 0.00, 0.00 )
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 645,1127,1128,1129,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 112 ALA MB 40 LEU MDX 3.00 (# 836:20 Unique 1.98, 4.34 A)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1760,1761,1762,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB- 40 LEU MDX 4.00 (# 837:20 Unique 1.95, 3.31 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 642, 643,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:839 120 LEU MDY 4.00 (# 839:20 Single 0.00, 0.00 )
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1833,1564,1565,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 4 VAL HB 122 ARG HB+ 6.00 (# 840:20 Unique 1.83, 4.50 A)
&rst
ixpk= 840, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1928,1929,
&end
#
# 120 LEU HB+ 120 LEU MDY 3.00 (# 841:20 Unique 1.92, 3.27 A)
&rst
ixpk= 841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 117 LEU MDY 120 LEU MDY 4.00 (# 842:20 Unique 3.16, 7.67 A)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1840,1841,1842,1844,1845,1846,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:844 40 LEU MDY 3.00 (# 844:20 Single 0.00, 0.00 )
&rst
ixpk= 844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 640, 583,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:845 40 LEU MDY 3.00 (# 845:20 Single 0.00, 0.00 )
&rst
ixpk= 845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1776,1777,1123,1124,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:846 40 LEU MDY 3.00 (# 846:20 Single 0.00, 0.00 )
&rst
ixpk= 846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 645,1127,1128,1129,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 112 ALA MB 40 LEU MDY 3.00 (# 847:20 Unique 1.98, 4.34 A)
&rst
ixpk= 847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1760,1761,1762,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:848 40 LEU MDY 3.00 (# 848:20 Single 0.00, 0.00 )
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1716,1717,1718,1304,1305,1306,1308,1309,1310,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB- 40 LEU MDY 3.80 (# 849:20 Unique 1.95, 3.31 A)
&rst
ixpk= 849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 642, 643,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 66 LEU HA 0 AMB 20-1:850 4.00 (# 850:20 Single 0.00, 0.00 )
&rst
ixpk= 850, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 65 VAL HA 0 AMB 20-1:851 5.50 (# 851:20 Single 0.00, 0.00 )
&rst
ixpk= 851, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 0 AMB 20-2:853 0 AMB 20-1:853 5.00 (# 853:20 Double 0.00, 0.00 )
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.25, r4= 9.75,
igr1=1318,1319, 231, 232, 233,
igr2=1099,1100,1101,1103,1104,1105, 291, 292,
&end
#
# 0 AMB 20-2:854 0 AMB 20-1:854 3.00 (# 854:20 Double 0.00, 0.00 )
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1094,1095,1349,1350,1351,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 117 LEU HA 117 LEU MDX 4.00 (# 855:20 Unique 1.97, 3.86 A)
&rst
ixpk= 855, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 18 ILE QG2 18 ILE HG1- 5.00 (# 857:20 Unique 2.52, 3.51 A)
&rst
ixpk= 857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 287, 288, 289,
igr2= 291, 292,
&end
#
# 36 LEU HA 36 LEU MDX 4.00 (# 858:20 Unique 2.04, 4.07 A)
&rst
ixpk= 858, nxpk= 20, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 32 TRP HB- 36 LEU MDX 5.00 (# 859:20 Unique 2.90, 5.93 A)
&rst
ixpk= 859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 498, 499,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:860 36 LEU MDX 3.00 (# 860:20 Single 0.00, 0.00 )
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 588, 604, 605,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 78 MET ME 36 LEU MDX 5.00 (# 861:20 Unique 3.33, 6.04 A)
&rst
ixpk= 861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1271,1272,1273,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 36 LEU HB- 36 LEU MDX 3.00 (# 862:20 Unique 1.94, 3.22 A)
&rst
ixpk= 862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 585, 586,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 0 AMB 20-2:863 36 LEU MDX 4.00 (# 863:20 Single 0.00, 0.00 )
&rst
ixpk= 863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1127,1128,1129,1548,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 36 LEU HB+ 36 LEU MDX 3.00 (# 864:20 Unique 1.94, 3.22 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 585, 586,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 18 ILE QG2 18 ILE HG1+ 5.00 (# 867:20 Unique 2.52, 3.51 A)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 287, 288, 289,
igr2= 291, 292,
&end
#
# 114 ALA HA 117 LEU MDX 3.00 (# 868:20 Unique 1.98, 4.09 A)
&rst
ixpk= 868, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU HG 117 LEU MDX 3.00 (# 869:20 Unique 2.21, 2.63 A)
&rst
ixpk= 869, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU HB- 117 LEU MDX 3.00 (# 870:20 Unique 2.08, 3.26 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1835,1836,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU HB+ 117 LEU MDX 3.00 (# 871:20 Unique 2.08, 3.26 A)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1835,1836,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 76 LYS HE+ 76 LYS HG+ 3.00 (# 872:20 Unique 2.04, 3.25 A)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1239,1240,
igr2=1233,1234,
&end
#
# 76 LYS HB+ 76 LYS HG+ 3.00 (# 873:20 Unique 2.21, 2.67 A)
&rst
ixpk= 873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1230,1231,
igr2=1233,1234,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 3.00 (# 874:20 Double 0.00, 0.00 )
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1236,1237,1211,1212,
igr2=1233,1234,1233,1234,
&end
#
# 0 AMB 20-2:875 0 AMB 20-1:875 3.00 (# 875:20 Double 0.00, 0.00 )
&rst
ixpk= 875, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 899, 875,
igr2= 904, 905, 904, 905,
&end
#
# 26 GLU HG+ 75 LEU MDY 3.00 (# 878:20 Unique 3.03, 5.06 A)
&rst
ixpk= 878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 413, 414,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:879 75 LEU MDY 6.00 (# 879:20 Single 0.00, 0.00 )
&rst
ixpk= 879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1188,1189,1230,1231,1147,1148,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB- 75 LEU MDY 3.00 (# 880:20 Unique 2.25, 3.28 A)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:881 75 LEU MDY 3.00 (# 881:20 Single 0.00, 0.00 )
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 481, 482, 483,1214,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB+ 75 LEU MDY 3.00 (# 882:20 Unique 2.25, 3.28 A)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:883 75 LEU MDY 7.00 (# 883:20 Single 0.00, 0.00 )
&rst
ixpk= 883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.34, r4=12.84,
igr1= 462, 522, 523, 428, 429,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 72 ASP HB- 75 LEU MDY 5.00 (# 884:20 Unique 4.66, 6.76 A)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1173,1174,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 3.00 (# 886:20 Double 0.00, 0.00 )
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 999,1000,1606,1607,
igr2= 757, 758, 803, 804,
&end
#
# 0 AMB 20-2:887 0 AMB 20-1:887 3.00 (# 887:20 Double 0.00, 0.00 )
&rst
ixpk= 887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 760, 761, 806, 807, 907, 908,1410,1411, 754, 755,
igr2= 757, 758, 803, 804, 904, 905,1407,1408, 757, 758,
&end
#
# 47 LYS HE+ 47 LYS HG- 4.00 (# 888:20 Unique 1.94, 3.14 A)
&rst
ixpk= 888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 763, 764,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:889 0 AMB 20-1:889 3.00 (# 889:20 Double 0.00, 0.00 )
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 901, 902, 754, 755, 877, 878,
igr2= 904, 905, 757, 758, 904, 905,
&end
#
# 0 AMB 20-2:890 0 AMB 20-1:890 3.00 (# 890:20 Double 0.00, 0.00 )
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 760, 761, 907, 908,
igr2= 757, 758, 904, 905,
&end
#
# 0 AMB 20-2:891 0 AMB 20-1:891 3.00 (# 891:20 Double 0.00, 0.00 )
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 935, 842,
igr2= 847, 848, 847, 848,
&end
#
# 0 AMB 20-2:892 0 AMB 20-1:892 5.00 (# 892:20 Double 0.00, 0.00 )
&rst
ixpk= 892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 937, 938, 937, 938,
igr2= 847, 848, 847, 848,
&end
#
# 0 AMB 20-2:894 0 AMB 20-1:894 3.00 (# 894:20 Double 0.00, 0.00 )
&rst
ixpk= 894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 844, 845, 850, 851,
igr2= 847, 848, 847, 848,
&end
#
# 88 LYS HA 88 LYS HG+ 4.50 (# 896:20 Unique 2.75, 3.60 A)
&rst
ixpk= 896, nxpk= 20, iat=1402, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1407,1408,
&end
#
# 43 PRO HD+ 43 PRO HG- 3.00 (# 897:20 Unique 2.30, 2.58 A)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 43 PRO HD- 43 PRO HG- 3.00 (# 898:20 Unique 2.30, 2.58 A)
&rst
ixpk= 898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 43 PRO HB+ 43 PRO HG+ 3.00 (# 899:20 Unique 2.32, 2.58 A)
&rst
ixpk= 899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 699, 700,
igr2= 696, 697,
&end
#
# 43 PRO HD+ 43 PRO HG+ 3.00 (# 901:20 Unique 2.30, 2.58 A)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 43 PRO HD- 43 PRO HG+ 3.00 (# 902:20 Unique 2.30, 2.58 A)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 693, 694,
igr2= 696, 697,
&end
#
# 25 LYS HA 25 LYS HG+ 5.00 (# 903:20 Unique 3.57, 3.91 A)
&rst
ixpk= 903, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 391, 392,
&end
#
# 48 TRP HB+ 61 LYS HG+ 5.00 (# 904:20 Unique 4.21, 5.13 A)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 776, 777,
igr2=1014,1015,
&end
#
# 25 LYS HE+ 25 LYS HG+ 4.00 (# 905:20 Unique 2.01, 3.27 A)
&rst
ixpk= 905, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 397, 398,
igr2= 391, 392,
&end
#
# 25 LYS HE+ 25 LYS HG- 3.00 (# 906:20 Unique 2.01, 3.27 A)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 397, 398,
igr2= 391, 392,
&end
#
# 25 LYS HB+ 25 LYS HG- 3.00 (# 907:20 Unique 2.24, 2.63 A)
&rst
ixpk= 907, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 388, 389,
igr2= 391, 392,
&end
#
# 97 LEU HB+ 80 VAL MGY 5.00 (# 908:20 Unique 3.07, 6.07 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1545,1546,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 125 LYS HE+ 125 LYS HG+ 3.00 (# 912:20 Unique 2.01, 3.14 A)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1989,1990,
igr2=1983,1984,
&end
#
# 80 VAL HB 80 VAL MGY 3.00 (# 913:20 Unique 2.22, 2.63 A)
&rst
ixpk= 913, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 20-2:914 0 AMB 20-1:914 3.00 (# 914:20 Double 0.00, 0.00 )
&rst
ixpk= 914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 822, 823, 822, 823,
igr2= 825, 826, 825, 826,
&end
#
# 0 AMB 20-2:915 0 AMB 20-1:915 3.00 (# 915:20 Double 0.00, 0.00 )
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 828, 829, 828, 829,
igr2= 825, 826, 825, 826,
&end
#
# 50 LYS HA 0 AMB 20-1:916 3.00 (# 916:20 Single 0.00, 0.00 )
&rst
ixpk= 916, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 825, 826, 825, 826,
&end
#
# 0 AMB 20-2:917 0 AMB 20-1:917 3.00 (# 917:20 Double 0.00, 0.00 )
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 831, 832, 831, 832,
igr2= 825, 826, 825, 826,
&end
#
# 0 AMB 20-2:918 0 AMB 20-1:918 3.00 (# 918:20 Double 0.00, 0.00 )
&rst
ixpk= 918, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 828, 829, 828, 829,
igr2= 825, 826, 825, 826,
&end
#
# 75 LEU HA 75 LEU MDX 3.00 (# 920:20 Unique 1.99, 3.81 A)
&rst
ixpk= 920, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 30 MET HB+ 75 LEU MDX 5.00 (# 921:20 Unique 6.42, 8.63 A)
&rst
ixpk= 921, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 474, 475,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 74 CYS HB- 75 LEU MDX 5.00 (# 922:20 Unique 4.63, 6.94 A)
&rst
ixpk= 922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1200,1201,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 26 GLU HG+ 75 LEU MDX 4.00 (# 923:20 Unique 3.03, 5.06 A)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 413, 414,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 71 ASP HB+ 75 LEU MDX 4.00 (# 924:20 Unique 2.74, 6.52 A)
&rst
ixpk= 924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1161,1162,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB- 75 LEU MDX 3.00 (# 925:20 Unique 2.25, 3.28 A)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:926 75 LEU MDX 3.00 (# 926:20 Single 0.00, 0.00 )
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 481, 482, 483,1214,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HB+ 75 LEU MDX 3.00 (# 927:20 Unique 2.25, 3.28 A)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1211,1212,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:928 105 VAL MGY 3.00 (# 928:20 Single 0.00, 0.00 )
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 710, 711, 710, 711,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 102 ALA MB 105 VAL MGY 3.00 (# 929:20 Unique 1.90, 3.42 A)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1621,1622,1623,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 65 VAL HA 82 VAL MGY 3.00 (# 930:20 Unique 1.52, 3.98 A)
&rst
ixpk= 930, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL HB 82 VAL MGY 3.00 (# 931:20 Unique 1.81, 3.13 A)
&rst
ixpk= 931, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HB 82 VAL MGY 3.00 (# 932:20 Unique 2.22, 2.63 A)
&rst
ixpk= 932, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 100 ILE HG1+ 82 VAL MGY 4.00 (# 933:20 Unique 3.93, 6.13 A)
&rst
ixpk= 933, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1593,1594,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 80 VAL MGY 82 VAL MGY 3.00 (# 934:20 Unique 1.95, 6.39 A)
&rst
ixpk= 934, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1304,1305,1306,1308,1309,1310,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:937 83 ALA MB 5.00 (# 937:20 Single 0.00, 0.00 )
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1359,1360,1450,1451,
igr2=1349,1350,1351,
&end
#
# 66 LEU MDY 83 ALA MB 4.00 (# 940:20 Unique 2.12, 5.10 A)
&rst
ixpk= 940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1099,1100,1101,1103,1104,1105,
igr2=1349,1350,1351,
&end
#
# 82 VAL MGX 83 ALA MB 6.00 (# 941:20 Unique 4.60, 6.55 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1349,1350,1351,
&end
#
# 74 CYS HB+ 78 MET ME 4.00 (# 943:20 Unique 2.00, 3.97 A)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1200,1201,
igr2=1271,1272,1273,
&end
#
# 33 TYR HB- 78 MET ME 4.00 (# 944:20 Unique 1.82, 3.55 A)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 522, 523,
igr2=1271,1272,1273,
&end
#
# 29 ALA HA 78 MET ME 3.50 (# 945:20 Unique 1.99, 3.03 A)
&rst
ixpk= 945, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1271,1272,1273,
&end
#
# 78 MET HG+ 78 MET ME 3.00 (# 947:20 Unique 2.17, 3.61 A)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1267,1268,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:948 78 MET ME 4.00 (# 948:20 Single 0.00, 0.00 )
&rst
ixpk= 948, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 464, 465, 466,1267,1268,
igr2=1271,1272,1273,
&end
#
# 78 MET HB- 78 MET ME 4.00 (# 949:20 Unique 1.92, 4.26 A)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1264,1265,
igr2=1271,1272,1273,
&end
#
# 69 ALA HA 94 THR MG2 5.00 (# 950:20 Unique 3.17, 4.25 A)
&rst
ixpk= 950, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1501,1502,1503,
&end
#
# 94 THR HB 94 THR MG2 3.00 (# 951:20 Unique 2.23, 2.64 A)
&rst
ixpk= 951, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1501,1502,1503,
&end
#
# 79 TYR HB+ 94 THR MG2 4.00 (# 952:20 Unique 1.98, 4.18 A)
&rst
ixpk= 952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1281,1282,
igr2=1501,1502,1503,
&end
#
# 0 AMB 20-2:955 36 LEU MDY 3.00 (# 955:20 Single 0.00, 0.00 )
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 588, 604, 605,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 82 VAL MGX 63 VAL MGY 3.00 (# 957:20 Unique 1.92, 4.21 A)
&rst
ixpk= 957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 48 TRP HB- 63 VAL MGY 4.00 (# 958:20 Unique 2.28, 4.39 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 776, 777,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:959 0 AMB 20-1:959 4.80 (# 959:20 Double 0.00, 0.00 )
&rst
ixpk= 959, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.76, r4=12.26,
igr1=1304,1305,1306,1308,1309,1310,1904,1905,1906,1908,
1909,1910,1904,1905,1906,1908,1909,1910,
igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
1845,1846,
&end
#
# 108 ASP HB+ 39 THR MG2 4.00 (# 961:20 Unique 1.95, 3.61 A)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1702,1703,
igr2= 630, 631, 632,
&end
#
# 108 ASP HB- 39 THR MG2 3.00 (# 962:20 Unique 1.95, 3.61 A)
&rst
ixpk= 962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1702,1703,
igr2= 630, 631, 632,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 3.00 (# 963:20 Double 0.00, 0.00 )
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1833, 583,
igr2=1840,1841,1842,1844,1845,1846, 590, 591, 592, 594,
595, 596,
&end
#
# 117 LEU HB- 117 LEU MDY 3.00 (# 964:20 Unique 2.08, 3.26 A)
&rst
ixpk= 964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1835,1836,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 114 ALA HA 117 LEU MDY 4.20 (# 965:20 Unique 1.98, 4.09 A)
&rst
ixpk= 965, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 66 LEU HA 66 LEU MDX 3.00 (# 966:20 Unique 1.96, 3.65 A)
&rst
ixpk= 966, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 43 PRO HB+ 66 LEU MDX 4.00 (# 967:20 Unique 3.05, 5.83 A)
&rst
ixpk= 967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 699, 700,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 43 PRO HB- 66 LEU MDX 3.00 (# 968:20 Unique 3.05, 5.83 A)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 699, 700,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 81 GLU HB+ 66 LEU MDX 4.50 (# 969:20 Unique 2.11, 4.93 A)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1318,1319,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 66 LEU HB- 66 LEU MDX 3.00 (# 970:20 Unique 2.06, 3.37 A)
&rst
ixpk= 970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1094,1095,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 45 MET HB- 62 THR MG2 5.50 (# 971:20 Unique 3.31, 5.21 A)
&rst
ixpk= 971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 730, 731,
igr2=1035,1036,1037,
&end
#
# 45 MET ME 62 THR MG2 3.00 (# 972:20 Unique 1.93, 3.31 A)
&rst
ixpk= 972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 737, 738, 739,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:973 62 THR MG2 4.00 (# 973:20 Single 0.00, 0.00 )
&rst
ixpk= 973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1371, 996, 997,
igr2=1035,1036,1037,
&end
#
# 65 VAL HA 65 VAL MGY 3.00 (# 976:20 Unique 2.18, 3.16 A)
&rst
ixpk= 976, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 80 VAL HB 65 VAL MGY 4.50 (# 977:20 Unique 1.96, 3.81 A)
&rst
ixpk= 977, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 9 THR HB 9 THR MG2 3.00 (# 978:20 Unique 2.24, 2.64 A)
&rst
ixpk= 978, nxpk= 20, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 130, 131, 132,
&end
#
# 6 ARG HD+ 9 THR MG2 4.50 (# 979:20 Unique 1.94, 3.55 A)
&rst
ixpk= 979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 83, 84,
igr2= 130, 131, 132,
&end
#
# 113 ILE HA 97 LEU MDX 4.00 (# 980:20 Unique 1.92, 4.37 A)
&rst
ixpk= 980, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 80 VAL MGX 97 LEU MDX 4.00 (# 981:20 Unique 1.97, 4.81 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=1304,1305,1306,1308,1309,1310,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 120 LEU HB+ 120 LEU MDX 3.00 (# 982:20 Unique 1.92, 3.27 A)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 120 LEU HB- 120 LEU MDX 3.00 (# 983:20 Unique 1.92, 3.27 A)
&rst
ixpk= 983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 96 LYS HD+ 95 ALA MB 6.50 (# 984:20 Unique 3.76, 5.32 A)
&rst
ixpk= 984, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1=1529,1530,
igr2=1513,1514,1515,
&end
#
# 0 AMB 20-2:985 95 ALA MB 6.00 (# 985:20 Single 0.00, 0.00 )
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.97, r4=10.47,
igr1=1526,1527,1501,1502,1503,1545,1546,
igr2=1513,1514,1515,
&end
#
# 82 VAL MGX 95 ALA MB 7.00 (# 986:20 Unique 4.85, 7.51 A)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1513,1514,1515,
&end
#
# 0 AMB 20-2:987 0 AMB 20-1:987 5.00 (# 987:20 Double 0.00, 0.00 )
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 923, 946,
igr2= 925, 926, 927, 950, 951, 952,
&end
#
# 57 THR HB 0 AMB 20-1:988 5.00 (# 988:20 Single 0.00, 0.00 )
&rst
ixpk= 988, nxpk= 20, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 950, 951, 952, 925, 926, 927,
&end
#
# 0 AMB 20-2:990 97 LEU MDX 3.00 (# 990:20 Single 0.00, 0.00 )
&rst
ixpk= 990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1127,1128,1129,1548,1523,1524,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 0 AMB 20-2:994 109 THR MG2 3.00 (# 994:20 Single 0.00, 0.00 )
&rst
ixpk= 994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 647, 648, 649, 651, 652, 653, 647, 648, 649, 651,
652, 653,
igr2=1716,1717,1718,
&end
#
# 0 AMB 20-2:995 0 AMB 20-1:995 6.00 (# 995:20 Double 0.00, 0.00 )
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1= 901, 902, 981, 982,
igr2= 925, 926, 927, 950, 951, 952,
&end
#
# 16 THR HA 16 THR MG2 3.00 (# 996:20 Unique 2.53, 3.25 A)
&rst
ixpk= 996, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 258, 259, 260,
&end
#
# 16 THR HB 16 THR MG2 3.00 (# 997:20 Unique 2.36, 2.64 A)
&rst
ixpk= 997, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 258, 259, 260,
&end
#
# 15 GLU HG+ 16 THR MG2 4.00 (# 998:20 Unique 1.98, 3.19 A)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 244, 245,
igr2= 258, 259, 260,
&end
#
# 15 GLU HG- 16 THR MG2 3.00 (# 999:20 Unique 1.98, 3.19 A)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 244, 245,
igr2= 258, 259, 260,
&end
#
# 15 GLU HB- 16 THR MG2 3.00 (# 1000:20 Unique 3.26, 4.76 A)
&rst
ixpk= 1000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 241, 242,
igr2= 258, 259, 260,
&end
#
# 122 ARG HD+ 4 VAL MGY 4.00 (# 1001:20 Unique 2.10, 4.66 A)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1934,1935,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 83 ALA MB 92 VAL MGY 3.00 (# 1003:20 Unique 1.92, 5.30 A)
&rst
ixpk= 1003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1349,1350,1351,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 105 VAL HB 109 THR MG2 4.00 (# 1004:20 Unique 2.07, 3.09 A)
&rst
ixpk= 1004, nxpk= 20, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 4 VAL HA 4 VAL MGY 3.00 (# 1005:20 Unique 2.08, 3.20 A)
&rst
ixpk= 1005, nxpk= 20, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 121 ALA HA 4 VAL MGY 6.00 (# 1007:20 Unique 5.87, 7.35 A)
&rst
ixpk= 1007, nxpk= 20, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HB 4 VAL MGY 3.00 (# 1009:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1009, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 121 ALA MB 4 VAL MGY 3.00 (# 1010:20 Unique 3.19, 5.70 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1918,1919,1920,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 16 THR HA 20 VAL MGY 4.00 (# 1011:20 Unique 1.97, 4.29 A)
&rst
ixpk= 1011, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 16 THR HB 20 VAL MGY 5.00 (# 1012:20 Unique 2.68, 5.17 A)
&rst
ixpk= 1012, nxpk= 20, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HA 20 VAL MGY 3.00 (# 1013:20 Unique 2.24, 3.13 A)
&rst
ixpk= 1013, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 21 ASP HB- 20 VAL MGY 6.00 (# 1014:20 Unique 2.31, 5.54 A)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 339, 340,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HB 20 VAL MGY 3.00 (# 1015:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1015, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 92 VAL HB 92 VAL MGX 3.00 (# 1017:20 Unique 2.30, 2.63 A)
&rst
ixpk= 1017, nxpk= 20, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 46 GLY HA+ 102 ALA MB 5.00 (# 1018:20 Unique 4.43, 5.38 A)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 745, 746,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:1019 102 ALA MB 3.00 (# 1019:20 Single 0.00, 0.00 )
&rst
ixpk= 1019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1664,1665,1666,1668,1669,1670,1779,1780,1781,
igr2=1621,1622,1623,
&end
#
# 65 VAL HA 65 VAL MGX 3.00 (# 1020:20 Unique 2.18, 3.16 A)
&rst
ixpk= 1020, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 80 VAL HB 65 VAL MGX 4.50 (# 1021:20 Unique 1.96, 3.81 A)
&rst
ixpk= 1021, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 82 VAL HB 65 VAL MGX 4.00 (# 1022:20 Unique 3.03, 5.35 A)
&rst
ixpk= 1022, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:1023 65 VAL MGX 4.00 (# 1023:20 Single 0.00, 0.00 )
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1094,1095,1593,1594,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:1024 65 VAL MGX 4.00 (# 1024:20 Single 0.00, 0.00 )
&rst
ixpk= 1024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1593,1594,1621,1622,1623,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 27 GLU HA 22 ALA MB 4.00 (# 1031:20 Unique 3.28, 4.14 A)
&rst
ixpk= 1031, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 351, 352, 353,
&end
#
# 28 ARG HA 22 ALA MB 3.00 (# 1032:20 Unique 2.03, 3.22 A)
&rst
ixpk= 1032, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 0 AMB 20-2:1033 22 ALA MB 4.00 (# 1033:20 Single 0.00, 0.00 )
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 359, 337,
igr2= 351, 352, 353,
&end
#
# 19 ILE HA 22 ALA MB 3.00 (# 1034:20 Unique 2.84, 3.84 A)
&rst
ixpk= 1034, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 19 ILE QG2 22 ALA MB 3.00 (# 1035:20 Unique 1.96, 3.51 A)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 306, 307, 308,
igr2= 351, 352, 353,
&end
#
# 22 ALA HA 22 ALA MB 3.00 (# 1036:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1036, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 19 ILE HB 22 ALA MB 3.00 (# 1038:20 Unique 1.96, 3.00 A)
&rst
ixpk= 1038, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 27 GLU HG- 22 ALA MB 5.00 (# 1040:20 Unique 4.16, 5.32 A)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 428, 429,
igr2= 351, 352, 353,
&end
#
# 20 VAL HA 20 VAL MGX 3.00 (# 1042:20 Unique 2.24, 3.13 A)
&rst
ixpk= 1042, nxpk= 20, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HB 20 VAL MGX 3.00 (# 1043:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1043, nxpk= 20, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 2 ALA HA 2 ALA MB 3.00 (# 1044:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1044, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 25, 26, 27,
&end
#
# 122 ARG HD+ 4 VAL MGX 3.00 (# 1049:20 Unique 2.10, 4.66 A)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1934,1935,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HB 4 VAL MGX 3.00 (# 1050:20 Unique 2.24, 2.63 A)
&rst
ixpk= 1050, nxpk= 20, iat= 46, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HA 4 VAL MGX 3.00 (# 1051:20 Unique 2.08, 3.20 A)
&rst
ixpk= 1051, nxpk= 20, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 118 TYR HA 4 VAL MGX 4.00 (# 1052:20 Unique 2.40, 4.07 A)
&rst
ixpk= 1052, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 0 AMB 20-2:1053 4 VAL MGX 3.00 (# 1053:20 Single 0.00, 0.00 )
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 25, 26, 27,1918,1919,1920,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 30 MET HA 30 MET ME 3.00 (# 1054:20 Unique 1.99, 3.01 A)
&rst
ixpk= 1054, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 481, 482, 483,
&end
#
# 75 LEU HA 30 MET ME 3.00 (# 1055:20 Unique 1.94, 3.29 A)
&rst
ixpk= 1055, nxpk= 20, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 481, 482, 483,
&end
#
# 74 CYS HB+ 30 MET ME 4.00 (# 1056:20 Unique 2.71, 4.53 A)
&rst
ixpk= 1056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1200,1201,
igr2= 481, 482, 483,
&end
#
# 33 TYR HB- 30 MET ME 5.00 (# 1057:20 Unique 3.79, 5.15 A)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 522, 523,
igr2= 481, 482, 483,
&end
#
# 30 MET HB+ 30 MET ME 5.00 (# 1058:20 Unique 3.72, 4.57 A)
&rst
ixpk= 1058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 474, 475,
igr2= 481, 482, 483,
&end
#
# 30 MET HB- 30 MET ME 4.00 (# 1059:20 Unique 3.72, 4.57 A)
&rst
ixpk= 1059, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 474, 475,
igr2= 481, 482, 483,
&end
#
# 0 AMB 20-2:1060 30 MET ME 3.00 (# 1060:20 Single 0.00, 0.00 )
&rst
ixpk= 1060, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
igr2= 481, 482, 483,
&end
#
# 75 LEU MDX 30 MET ME 3.00 (# 1061:20 Unique 1.98, 4.93 A)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1216,1217,1218,1220,1221,1222,
igr2= 481, 482, 483,
&end
#
# 93 TYR HB+ 82 VAL MGX 6.00 (# 1062:20 Unique 2.65, 5.87 A)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1478,1479,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL HB 82 VAL MGX 4.00 (# 1063:20 Unique 1.81, 3.13 A)
&rst
ixpk= 1063, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HB 82 VAL MGX 3.00 (# 1064:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1064, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL MGY 82 VAL MGX 3.00 (# 1065:20 Unique 1.92, 4.21 A)
&rst
ixpk= 1065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HB- 82 VAL MGX 6.00 (# 1067:20 Unique 2.65, 5.87 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1478,1479,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:1069 19 ILE QG2 4.00 (# 1069:20 Single 0.00, 0.00 )
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 496, 423,
igr2= 306, 307, 308,
&end
#
# 28 ARG HA 19 ILE QG2 3.00 (# 1070:20 Unique 1.89, 2.66 A)
&rst
ixpk= 1070, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 306, 307, 308,
&end
#
# 31 GLY HA- 19 ILE QG2 5.00 (# 1071:20 Unique 1.92, 4.00 A)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 489, 490,
igr2= 306, 307, 308,
&end
#
# 27 GLU HB- 19 ILE QG2 6.00 (# 1072:20 Unique 4.45, 5.90 A)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 425, 426,
igr2= 306, 307, 308,
&end
#
# 19 ILE HG1- 19 ILE QG2 4.00 (# 1074:20 Unique 2.23, 3.50 A)
&rst
ixpk= 1074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 310, 311,
igr2= 306, 307, 308,
&end
#
# 22 ALA MB 19 ILE QG2 3.00 (# 1075:20 Unique 1.96, 3.51 A)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 351, 352, 353,
igr2= 306, 307, 308,
&end
#
# 18 ILE QG2 19 ILE QG2 5.00 (# 1076:20 Unique 1.93, 4.65 A)
&rst
ixpk= 1076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 287, 288, 289,
igr2= 306, 307, 308,
&end
#
# 118 TYR HA 121 ALA MB 3.00 (# 1077:20 Unique 2.05, 3.34 A)
&rst
ixpk= 1077, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 121 ALA HA 121 ALA MB 3.00 (# 1078:20 Unique 2.31, 2.63 A)
&rst
ixpk= 1078, nxpk= 20, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 14 ILE HB 14 ILE QG2 3.00 (# 1079:20 Unique 2.32, 2.63 A)
&rst
ixpk= 1079, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 224, 225, 226,
&end
#
# 15 GLU HB- 14 ILE QG2 5.00 (# 1080:20 Unique 3.36, 4.64 A)
&rst
ixpk= 1080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 241, 242,
igr2= 224, 225, 226,
&end
#
# 14 ILE QD1 14 ILE QG2 3.00 (# 1081:20 Unique 1.95, 3.51 A)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 231, 232, 233,
igr2= 224, 225, 226,
&end
#
# 18 ILE QD1 14 ILE QG2 5.50 (# 1082:20 Unique 1.94, 4.93 A)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 294, 295, 296,
igr2= 224, 225, 226,
&end
#
# 18 ILE QG2 14 ILE QG2 6.00 (# 1083:20 Unique 3.62, 6.41 A)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 287, 288, 289,
igr2= 224, 225, 226,
&end
#
# 0 AMB 20-2:1085 29 ALA MB 4.00 (# 1085:20 Single 0.00, 0.00 )
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 522, 523, 498, 499,2002,2003,
igr2= 464, 465, 466,
&end
#
# 29 ALA HA 29 ALA MB 3.00 (# 1086:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1086, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:1087 105 VAL MGX 5.00 (# 1087:20 Single 0.00, 0.00 )
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1648, 659,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 109 THR HB 105 VAL MGX 4.00 (# 1088:20 Unique 2.91, 4.07 A)
&rst
ixpk= 1088, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 110 GLN HG+ 105 VAL MGX 3.50 (# 1089:20 Unique 2.65, 5.34 A)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1731,1732,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:1090 105 VAL MGX 4.00 (# 1090:20 Single 0.00, 0.00 )
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1728,1729,1662,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 102 ALA MB 105 VAL MGX 3.00 (# 1091:20 Unique 1.90, 3.42 A)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1621,1622,1623,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 113 ILE QD1 112 ALA MB 4.50 (# 1092:20 Unique 3.39, 5.68 A)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1779,1780,1781,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:1093 0 AMB 20-1:1093 3.00 (# 1093:20 Double 0.00, 0.00 )
&rst
ixpk= 1093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 583,1768, 640,1833,
igr2=1760,1761,1762,1918,1919,1920,
&end
#
# 39 THR HB 112 ALA MB 4.00 (# 1094:20 Unique 3.06, 3.83 A)
&rst
ixpk= 1094, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:1095 0 AMB 20-1:1095 4.00 (# 1095:20 Double 0.00, 0.00 )
&rst
ixpk= 1095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 46,1838,1728,1729,
igr2=1918,1919,1920,1760,1761,1762,
&end
#
# 0 AMB 20-2:1096 112 ALA MB 4.00 (# 1096:20 Single 0.00, 0.00 )
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 645,1548,
igr2=1760,1761,1762,
&end
#
# 40 LEU MDY 112 ALA MB 3.00 (# 1097:20 Unique 1.98, 4.34 A)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 647, 648, 649, 651, 652, 653,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:1098 112 ALA MB 3.00 (# 1098:20 Single 0.00, 0.00 )
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 630, 631, 632, 590, 591, 592, 594, 595, 596,
igr2=1760,1761,1762,
&end
#
# 80 VAL HB 80 VAL MGX 3.00 (# 1101:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1101, nxpk= 20, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 36 LEU MDY 80 VAL MGX 4.80 (# 1102:20 Unique 2.97, 7.07 A)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr1= 590, 591, 592, 594, 595, 596,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 20-2:1103 114 ALA MB 5.00 (# 1103:20 Single 0.00, 0.00 )
&rst
ixpk= 1103, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1726,1768,
igr2=1789,1790,1791,
&end
#
# 0 AMB 20-2:1104 114 ALA MB 4.80 (# 1104:20 Single 0.00, 0.00 )
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1731,1732,1748,1749,
igr2=1789,1790,1791,
&end
#
# 111 GLU HA 114 ALA MB 3.00 (# 1105:20 Unique 2.73, 3.85 A)
&rst
ixpk= 1105, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1789,1790,1791,
&end
#
# 114 ALA HA 114 ALA MB 3.00 (# 1106:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1106, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1789,1790,1791,
&end
#
# 117 LEU MDX 114 ALA MB 4.00 (# 1108:20 Unique 3.30, 6.41 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1840,1841,1842,1844,1845,1846,
igr2=1789,1790,1791,
&end
#
# 85 ILE HA 85 ILE QG2 3.00 (# 1109:20 Unique 2.20, 3.00 A)
&rst
ixpk= 1109, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1373,1374,1375,
&end
#
# 85 ILE HB 85 ILE QG2 3.00 (# 1110:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1110, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1373,1374,1375,
&end
#
# 85 ILE HG1- 85 ILE QG2 3.00 (# 1111:20 Unique 2.26, 3.48 A)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1377,1378,
igr2=1373,1374,1375,
&end
#
# 85 ILE HG1+ 85 ILE QG2 3.00 (# 1112:20 Unique 2.26, 3.48 A)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1377,1378,
igr2=1373,1374,1375,
&end
#
# 69 ALA HA 69 ALA MB 3.00 (# 1113:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1113, nxpk= 20, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1137,1138,1139,
&end
#
# 70 PRO HD- 69 ALA MB 3.00 (# 1114:20 Unique 1.88, 3.05 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1144,1145,
igr2=1137,1138,1139,
&end
#
# 70 PRO HD+ 69 ALA MB 3.00 (# 1115:20 Unique 1.88, 3.05 A)
&rst
ixpk= 1115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1144,1145,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:1116 69 ALA MB 3.00 (# 1116:20 Single 0.00, 0.00 )
&rst
ixpk= 1116, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1281,1282,1281,1282,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:1117 69 ALA MB 3.00 (# 1117:20 Single 0.00, 0.00 )
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1185,1186,1188,1189,
igr2=1137,1138,1139,
&end
#
# 81 GLU HG+ 69 ALA MB 4.00 (# 1118:20 Unique 2.02, 4.56 A)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1321,1322,
igr2=1137,1138,1139,
&end
#
# 49 LYS HA 58 ILE QG2 3.00 (# 1120:20 Unique 2.25, 3.41 A)
&rst
ixpk= 1120, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 964, 965, 966,
&end
#
# 58 ILE HA 58 ILE QG2 3.00 (# 1121:20 Unique 2.60, 3.35 A)
&rst
ixpk= 1121, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 964, 965, 966,
&end
#
# 49 LYS HE+ 58 ILE QG2 4.50 (# 1122:20 Unique 1.99, 3.71 A)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 809, 810,
igr2= 964, 965, 966,
&end
#
# 101 GLU HB+ 58 ILE QG2 5.90 (# 1123:20 Unique 6.59, 8.08 A)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=1606,1607,
igr2= 964, 965, 966,
&end
#
# 49 LYS HG+ 58 ILE QG2 3.20 (# 1124:20 Unique 3.82, 5.35 A)
&rst
ixpk= 1124, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 803, 804,
igr2= 964, 965, 966,
&end
#
# 0 AMB 20-2:1125 58 ILE QG2 4.00 (# 1125:20 Single 0.00, 0.00 )
&rst
ixpk= 1125, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 803, 804, 822, 823, 847, 848,
igr2= 964, 965, 966,
&end
#
# 48 TRP HB+ 63 VAL MGX 3.00 (# 1126:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 776, 777,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 48 TRP HB- 63 VAL MGX 4.00 (# 1127:20 Unique 2.28, 4.39 A)
&rst
ixpk= 1127, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 776, 777,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL HB 63 VAL MGX 5.00 (# 1128:20 Unique 2.00, 4.44 A)
&rst
ixpk= 1128, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL MGX 63 VAL MGX 3.00 (# 1129:20 Unique 1.92, 4.21 A)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1335,1336,1337,1339,1340,1341,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:1131 103 ILE QG2 4.00 (# 1131:20 Single 0.00, 0.00 )
&rst
ixpk= 1131, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 737, 738, 739, 730, 731,
igr2=1633,1634,1635,
&end
#
# 113 ILE HA 113 ILE QG2 3.00 (# 1132:20 Unique 2.38, 3.18 A)
&rst
ixpk= 1132, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1772,1773,1774,
&end
#
# 113 ILE HB 113 ILE QG2 3.00 (# 1133:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1133, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1772,1773,1774,
&end
#
# 113 ILE QD1 113 ILE QG2 3.00 (# 1134:20 Unique 2.64, 4.26 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1779,1780,1781,
igr2=1772,1773,1774,
&end
#
# 114 ALA HA 113 ILE QG2 4.00 (# 1135:20 Unique 2.99, 4.22 A)
&rst
ixpk= 1135, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1772,1773,1774,
&end
#
# 113 ILE HG1+ 113 ILE QG2 3.00 (# 1136:20 Unique 2.01, 3.27 A)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1776,1777,
igr2=1772,1773,1774,
&end
#
# 117 LEU HB+ 113 ILE QG2 5.00 (# 1137:20 Unique 4.50, 5.80 A)
&rst
ixpk= 1137, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1835,1836,
igr2=1772,1773,1774,
&end
#
# 103 ILE HA 103 ILE QG2 3.00 (# 1138:20 Unique 2.36, 3.32 A)
&rst
ixpk= 1138, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1633,1634,1635,
&end
#
# 104 ASP HB+ 103 ILE QG2 3.00 (# 1139:20 Unique 2.29, 3.76 A)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1650,1651,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:1140 103 ILE QG2 3.00 (# 1140:20 Single 0.00, 0.00 )
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 733, 734,1650,1651,
igr2=1633,1634,1635,
&end
#
# 103 ILE HB 103 ILE QG2 3.00 (# 1141:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1141, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1633,1634,1635,
&end
#
# 46 GLY HA+ 100 ILE QG2 4.00 (# 1142:20 Unique 2.36, 4.37 A)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 745, 746,
igr2=1589,1590,1591,
&end
#
# 100 ILE HB 100 ILE QG2 3.00 (# 1143:20 Unique 2.38, 2.63 A)
&rst
ixpk= 1143, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1589,1590,1591,
&end
#
# 100 ILE HG1+ 100 ILE QG2 3.50 (# 1144:20 Unique 2.37, 3.41 A)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1593,1594,
igr2=1589,1590,1591,
&end
#
# 100 ILE QD1 100 ILE QG2 3.00 (# 1145:20 Unique 1.90, 3.87 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1596,1597,1598,
igr2=1589,1590,1591,
&end
#
# 33 TYR HA 68 MET ME 3.00 (# 1152:20 Unique 2.33, 3.62 A)
&rst
ixpk= 1152, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1127,1128,1129,
&end
#
# 68 MET HG+ 68 MET ME 4.00 (# 1153:20 Unique 2.21, 3.64 A)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1123,1124,
igr2=1127,1128,1129,
&end
#
# 36 LEU HB+ 68 MET ME 3.00 (# 1155:20 Unique 1.95, 4.64 A)
&rst
ixpk= 1155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 585, 586,
igr2=1127,1128,1129,
&end
#
# 69 ALA MB 68 MET ME 5.00 (# 1156:20 Unique 4.86, 6.69 A)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1137,1138,1139,
igr2=1127,1128,1129,
&end
#
# 0 AMB 20-2:1157 68 MET ME 4.00 (# 1157:20 Single 0.00, 0.00 )
&rst
ixpk= 1157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 590, 591, 592, 594, 595, 596,1304,1305,1306,1308,
1309,1310,
igr2=1127,1128,1129,
&end
#
# 36 LEU MDX 68 MET ME 4.00 (# 1158:20 Unique 1.85, 4.83 A)
&rst
ixpk= 1158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 590, 591, 592, 594, 595, 596,
igr2=1127,1128,1129,
&end
#
# 11 GLU HA 14 ILE QD1 4.00 (# 1159:20 Unique 4.57, 6.04 A)
&rst
ixpk= 1159, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 231, 232, 233,
&end
#
# 10 ARG HD+ 14 ILE QD1 4.00 (# 1160:20 Unique 1.97, 4.67 A)
&rst
ixpk= 1160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 148, 149,
igr2= 231, 232, 233,
&end
#
# 14 ILE HB 14 ILE QD1 3.00 (# 1161:20 Unique 2.38, 3.24 A)
&rst
ixpk= 1161, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:1162 14 ILE QD1 3.00 (# 1162:20 Single 0.00, 0.00 )
&rst
ixpk= 1162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 224, 225, 226, 142, 143,
igr2= 231, 232, 233,
&end
#
# 18 ILE QD1 14 ILE QD1 5.00 (# 1163:20 Unique 2.14, 4.14 A)
&rst
ixpk= 1163, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 294, 295, 296,
igr2= 231, 232, 233,
&end
#
# 110 GLN HA 113 ILE QD1 3.00 (# 1164:20 Unique 1.96, 3.15 A)
&rst
ixpk= 1164, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1779,1780,1781,
&end
#
# 113 ILE HG1+ 113 ILE QD1 3.00 (# 1165:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1776,1777,
igr2=1779,1780,1781,
&end
#
# 113 ILE HB 113 ILE QD1 3.00 (# 1166:20 Unique 2.03, 2.89 A)
&rst
ixpk= 1166, nxpk= 20, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1779,1780,1781,
&end
#
# 112 ALA MB 113 ILE QD1 4.50 (# 1167:20 Unique 3.39, 5.68 A)
&rst
ixpk= 1167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1760,1761,1762,
igr2=1779,1780,1781,
&end
#
# 113 ILE QG2 113 ILE QD1 3.00 (# 1168:20 Unique 2.64, 4.26 A)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1772,1773,1774,
igr2=1779,1780,1781,
&end
#
# 35 TYR HB+ 18 ILE QG2 5.00 (# 1169:20 Unique 2.49, 4.65 A)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 564, 565,
igr2= 287, 288, 289,
&end
#
# 19 ILE QG2 18 ILE QG2 5.00 (# 1170:20 Unique 1.93, 4.65 A)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 306, 307, 308,
igr2= 287, 288, 289,
&end
#
# 18 ILE HG1- 18 ILE QG2 5.00 (# 1171:20 Unique 2.52, 3.51 A)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 291, 292,
igr2= 287, 288, 289,
&end
#
# 32 TRP HA 18 ILE QG2 4.50 (# 1172:20 Unique 1.93, 2.41 A)
&rst
ixpk= 1172, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 287, 288, 289,
&end
#
# 18 ILE HA 18 ILE QG2 5.00 (# 1173:20 Unique 2.36, 3.20 A)
&rst
ixpk= 1173, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 287, 288, 289,
&end
#
# 35 TYR HB- 18 ILE QG2 6.00 (# 1174:20 Unique 2.49, 4.65 A)
&rst
ixpk= 1174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 564, 565,
igr2= 287, 288, 289,
&end
#
# 18 ILE HB 18 ILE QG2 4.00 (# 1175:20 Unique 2.26, 2.63 A)
&rst
ixpk= 1175, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 287, 288, 289,
&end
#
# 18 ILE QD1 18 ILE QG2 5.00 (# 1176:20 Unique 1.94, 3.59 A)
&rst
ixpk= 1176, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 294, 295, 296,
igr2= 287, 288, 289,
&end
#
# 103 ILE HA 103 ILE QD1 4.00 (# 1177:20 Unique 2.30, 3.70 A)
&rst
ixpk= 1177, nxpk= 20, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1640,1641,1642,
&end
#
# 46 GLY HA+ 103 ILE QD1 5.00 (# 1178:20 Unique 1.97, 3.98 A)
&rst
ixpk= 1178, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 745, 746,
igr2=1640,1641,1642,
&end
#
# 47 LYS HE+ 103 ILE QD1 4.00 (# 1179:20 Unique 2.38, 3.93 A)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 763, 764,
igr2=1640,1641,1642,
&end
#
# 45 MET HG- 103 ILE QD1 5.00 (# 1180:20 Unique 2.18, 5.11 A)
&rst
ixpk= 1180, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 733, 734,
igr2=1640,1641,1642,
&end
#
# 45 MET HB- 103 ILE QD1 5.00 (# 1181:20 Unique 4.41, 6.83 A)
&rst
ixpk= 1181, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 730, 731,
igr2=1640,1641,1642,
&end
#
# 45 MET ME 103 ILE QD1 4.00 (# 1182:20 Unique 1.96, 3.85 A)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 737, 738, 739,
igr2=1640,1641,1642,
&end
#
# 0 AMB 20-2:1183 103 ILE QD1 3.00 (# 1183:20 Single 0.00, 0.00 )
&rst
ixpk= 1183, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 760, 761,1637,1638,1631,
igr2=1640,1641,1642,
&end
#
# 62 THR MG2 103 ILE QD1 3.00 (# 1184:20 Unique 3.24, 6.14 A)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1035,1036,1037,
igr2=1640,1641,1642,
&end
#
# 103 ILE HG1+ 103 ILE QD1 3.00 (# 1185:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1637,1638,
igr2=1640,1641,1642,
&end
#
# 18 ILE HA 18 ILE QD1 6.00 (# 1186:20 Unique 2.32, 4.42 A)
&rst
ixpk= 1186, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 294, 295, 296,
&end
#
# 17 GLU HB+ 18 ILE QD1 6.00 (# 1187:20 Unique 4.01, 5.80 A)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 270, 271,
igr2= 294, 295, 296,
&end
#
# 18 ILE HG1- 18 ILE QD1 4.50 (# 1188:20 Unique 2.23, 2.62 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 291, 292,
igr2= 294, 295, 296,
&end
#
# 45 MET HG- 85 ILE QD1 5.00 (# 1189:20 Unique 4.46, 5.29 A)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 733, 734,
igr2=1380,1381,1382,
&end
#
# 45 MET HG+ 85 ILE QD1 4.00 (# 1191:20 Unique 4.46, 5.29 A)
&rst
ixpk= 1191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 733, 734,
igr2=1380,1381,1382,
&end
#
# 85 ILE HB 85 ILE QD1 3.00 (# 1192:20 Unique 2.46, 3.12 A)
&rst
ixpk= 1192, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1380,1381,1382,
&end
#
# 64 GLU HB- 85 ILE QD1 3.00 (# 1193:20 Unique 2.72, 4.43 A)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1063,1064,
igr2=1380,1381,1382,
&end
#
# 85 ILE HG1- 85 ILE QD1 3.00 (# 1194:20 Unique 2.20, 2.62 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1377,1378,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:1195 85 ILE QD1 3.00 (# 1195:20 Single 0.00, 0.00 )
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1035,1036,1037,1377,1378,
igr2=1380,1381,1382,
&end
#
# 49 LYS HE+ 58 ILE QD1 5.00 (# 1196:20 Unique 2.77, 5.38 A)
&rst
ixpk= 1196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 809, 810,
igr2= 971, 972, 973,
&end
#
# 58 ILE HG1+ 58 ILE QD1 3.00 (# 1197:20 Unique 2.21, 2.62 A)
&rst
ixpk= 1197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 968, 969,
igr2= 971, 972, 973,
&end
#
# 19 ILE HA 19 ILE QD1 4.00 (# 1198:20 Unique 3.78, 4.60 A)
&rst
ixpk= 1198, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 313, 314, 315,
&end
#
# 19 ILE HB 19 ILE QD1 3.00 (# 1199:20 Unique 2.20, 3.54 A)
&rst
ixpk= 1199, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 313, 314, 315,
&end
#
# 28 ARG HB+ 19 ILE QD1 5.00 (# 1200:20 Unique 4.15, 6.49 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 440, 441,
igr2= 313, 314, 315,
&end
#
# 63 VAL MGY 100 ILE QD1 3.00 (# 1201:20 Unique 1.95, 4.52 A)
&rst
ixpk= 1201, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1596,1597,1598,
&end
#
# 100 ILE QG2 100 ILE QD1 3.00 (# 1202:20 Unique 1.90, 3.87 A)
&rst
ixpk= 1202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1589,1590,1591,
igr2=1596,1597,1598,
&end
#
# 100 ILE HG1+ 100 ILE QD1 3.00 (# 1203:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1593,1594,
igr2=1596,1597,1598,
&end
#
# 0 AMB 20-2:1204 100 ILE QD1 5.00 (# 1204:20 Single 0.00, 0.00 )
&rst
ixpk= 1204, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 776, 777, 745, 746,
igr2=1596,1597,1598,
&end
#
# 100 ILE HG1- 100 ILE QD1 3.00 (# 1205:20 Unique 2.22, 2.62 A)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1593,1594,
igr2=1596,1597,1598,
&end
#
# 58 ILE HN 57 THR HB 5.00 (# 1206:20 Unique 3.85, 4.33 A)
&rst
ixpk= 1206, nxpk= 20, iat= 958, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 THR HN 94 THR HB 3.50 (# 1207:20 Unique 2.95, 3.06 A)
&rst
ixpk= 1207, nxpk= 20, iat=1495,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 VAL HN 62 THR HB 4.50 (# 1208:20 Unique 3.81, 4.10 A)
&rst
ixpk= 1208, nxpk= 20, iat=1043,1033, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 THR HN 62 THR HB 3.00 (# 1209:20 Unique 2.68, 2.79 A)
&rst
ixpk= 1209, nxpk= 20, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 THR HA 62 THR HB 4.00 (# 1210:20 Unique 2.96, 3.00 A)
&rst
ixpk= 1210, nxpk= 20, iat=1031,1033, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 THR HN 9 THR HB 3.30 (# 1211:20 Unique 2.25, 2.32 A)
&rst
ixpk= 1211, nxpk= 20, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 10 ARG HN 9 THR HB 4.30 (# 1212:20 Unique 4.06, 4.12 A)
&rst
ixpk= 1212, nxpk= 20, iat= 138, 128, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 113 ILE HN 113 ILE HA 3.50 (# 1213:20 Unique 2.74, 2.75 A)
&rst
ixpk= 1213, nxpk= 20, iat=1766,1768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 THR HN 9 THR HA 3.50 (# 1214:20 Unique 2.80, 2.85 A)
&rst
ixpk= 1214, nxpk= 20, iat= 124, 126, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR HN 39 THR HA 3.00 (# 1215:20 Unique 2.83, 2.87 A)
&rst
ixpk= 1215, nxpk= 20, iat= 624, 626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 71 ASP HN 70 PRO HA 3.00 (# 1216:20 Unique 2.23, 2.35 A)
&rst
ixpk= 1216, nxpk= 20, iat=1157,1153, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1217 0 AMB 20-1:1217 6.00 (# 1217:20 Double 0.00, 0.00 )
&rst
ixpk= 1217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 977, 862,
igr2= 866, 867, 866, 867,
&end
#
# 4 VAL HN 3 SER HB+ 5.00 (# 1218:20 Unique 4.29, 4.49 A)
&rst
ixpk= 1218, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 35, 36,
&end
#
# 17 GLU HN 16 THR HA 4.50 (# 1219:20 Unique 2.87, 2.95 A)
&rst
ixpk= 1219, nxpk= 20, iat= 266, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 THR HN 16 THR HA 3.50 (# 1220:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1220, nxpk= 20, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 ASP HN 20 VAL HA 4.00 (# 1222:20 Unique 3.46, 3.53 A)
&rst
ixpk= 1222, nxpk= 20, iat= 335, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 99 ASP HN 98 SER HB- 4.00 (# 1223:20 Unique 2.74, 3.58 A)
&rst
ixpk= 1223, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1564,1565,
&end
#
# 20 VAL HN 20 VAL HA 2.80 (# 1224:20 Unique 2.28, 2.28 A)
&rst
ixpk= 1224, nxpk= 20, iat= 319, 321, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1225 34 TYR HA 4.00 (# 1225:20 Single 0.00, 0.00 )
&rst
ixpk= 1225, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 600, 518,
&end
#
# 86 GLY HN 85 ILE HA 3.80 (# 1227:20 Unique 2.61, 2.64 A)
&rst
ixpk= 1227, nxpk= 20, iat=1386,1369, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 85 ILE HN 85 ILE HA 3.00 (# 1228:20 Unique 2.87, 2.89 A)
&rst
ixpk= 1228, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 36 LEU HN 35 TYR HA 4.00 (# 1229:20 Unique 3.44, 3.47 A)
&rst
ixpk= 1229, nxpk= 20, iat= 581, 562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 TYR HD 35 TYR HA 3.00 (# 1230:20 Unique 2.11, 3.68 A)
&rst
ixpk= 1230, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 568, 577,
&end
#
# 58 ILE HN 57 THR HA 5.00 (# 1231:20 Unique 2.15, 2.85 A)
&rst
ixpk= 1231, nxpk= 20, iat= 958, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1232 118 TYR HA 3.00 (# 1232:20 Single 0.00, 0.00 )
&rst
ixpk= 1232, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1850,1914,1871,
&end
#
# 32 TRP HN 32 TRP HA 3.50 (# 1233:20 Unique 2.70, 2.75 A)
&rst
ixpk= 1233, nxpk= 20, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HN 35 TYR HA 3.00 (# 1234:20 Unique 2.80, 2.85 A)
&rst
ixpk= 1234, nxpk= 20, iat= 560, 562, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 124 TYR HD 119 TRP HA 5.50 (# 1236:20 Unique 5.93, 7.31 A)
&rst
ixpk= 1236, nxpk= 20, iat= -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1963,1972,
&end
#
# 0 AMB 20-2:1237 58 ILE HA 4.00 (# 1237:20 Single 0.00, 0.00 )
&rst
ixpk= 1237, nxpk= 20, iat= -1, 960, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 977, 862,
&end
#
# 0 AMB 20-2:1238 103 ILE HA 2.80 (# 1238:20 Single 0.00, 0.00 )
&rst
ixpk= 1238, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1646,1627,
&end
#
# 28 ARG HN 28 ARG HA 3.00 (# 1239:20 Unique 2.75, 2.77 A)
&rst
ixpk= 1239, nxpk= 20, iat= 436, 438, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 VAL HN 4 VAL HA 3.00 (# 1240:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1240, nxpk= 20, iat= 42, 44, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 5 GLU HN 4 VAL HA 4.50 (# 1241:20 Unique 2.92, 3.05 A)
&rst
ixpk= 1241, nxpk= 20, iat= 58, 44, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ILE HN 19 ILE HA 3.50 (# 1243:20 Unique 2.85, 2.92 A)
&rst
ixpk= 1243, nxpk= 20, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 19 ILE HA 4.00 (# 1244:20 Unique 3.41, 3.51 A)
&rst
ixpk= 1244, nxpk= 20, iat= 319, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1245 26 GLU HA 3.20 (# 1245:20 Single 0.00, 0.00 )
&rst
ixpk= 1245, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 406, 436,
&end
#
# 10 ARG HN 10 ARG HA 3.50 (# 1246:20 Unique 2.94, 2.94 A)
&rst
ixpk= 1246, nxpk= 20, iat= 138, 140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 ASP HN 98 SER HA 4.00 (# 1247:20 Unique 3.46, 3.49 A)
&rst
ixpk= 1247, nxpk= 20, iat=1571,1562, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 29 ALA HN 26 GLU HA 4.00 (# 1248:20 Unique 3.54, 3.64 A)
&rst
ixpk= 1248, nxpk= 20, iat= 460, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 GLU HN 11 GLU HA 3.00 (# 1249:20 Unique 2.65, 2.67 A)
&rst
ixpk= 1249, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 ARG HN 8 GLU HA 4.00 (# 1251:20 Unique 3.02, 3.17 A)
&rst
ixpk= 1251, nxpk= 20, iat= 138, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 GLU HN 110 GLN HA 4.00 (# 1252:20 Unique 3.57, 3.57 A)
&rst
ixpk= 1252, nxpk= 20, iat=1741,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 110 GLN HN 110 GLN HA 3.00 (# 1253:20 Unique 2.74, 2.75 A)
&rst
ixpk= 1253, nxpk= 20, iat=1724,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 VAL HN 3 SER HA 3.00 (# 1254:20 Unique 2.50, 2.60 A)
&rst
ixpk= 1254, nxpk= 20, iat= 42, 33, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 107 ASP HN 107 ASP HA 3.00 (# 1255:20 Unique 2.84, 2.86 A)
&rst
ixpk= 1255, nxpk= 20, iat=1686,1688, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 117 LEU HN 117 LEU HA 3.00 (# 1256:20 Unique 2.70, 2.73 A)
&rst
ixpk= 1256, nxpk= 20, iat=1831,1833, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1257 117 LEU HA 4.00 (# 1257:20 Single 0.00, 0.00 )
&rst
ixpk= 1257, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1914,1850,
&end
#
# 42 PHE HD 37 ASP HA 5.00 (# 1258:20 Unique 1.93, 4.68 A)
&rst
ixpk= 1258, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 680, 688,
&end
#
# 37 ASP HN 37 ASP HA 3.00 (# 1259:20 Unique 2.78, 2.83 A)
&rst
ixpk= 1259, nxpk= 20, iat= 600, 602, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HN 108 ASP HA 4.00 (# 1260:20 Unique 3.56, 3.56 A)
&rst
ixpk= 1260, nxpk= 20, iat=1710,1700, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1261 0 AMB 20-1:1261 5.00 (# 1261:20 Double 0.00, 0.00 )
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1756, 672, 657,
igr2=1700, 602,
&end
#
# 108 ASP HN 108 ASP HA 3.00 (# 1262:20 Unique 2.75, 2.77 A)
&rst
ixpk= 1262, nxpk= 20, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1263 107 ASP HA 3.50 (# 1263:20 Single 0.00, 0.00 )
&rst
ixpk= 1263, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1741,1698,
&end
#
# 110 GLN HN 107 ASP HA 4.00 (# 1264:20 Unique 3.86, 3.93 A)
&rst
ixpk= 1264, nxpk= 20, iat=1724,1688, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 120 LEU HN 117 LEU HA 4.20 (# 1265:20 Unique 3.67, 3.80 A)
&rst
ixpk= 1265, nxpk= 20, iat=1895,1833, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 71 ASP HN 71 ASP HA 3.00 (# 1266:20 Unique 2.74, 2.78 A)
&rst
ixpk= 1266, nxpk= 20, iat=1157,1159, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 ASP HN 71 ASP HA 4.00 (# 1267:20 Unique 3.28, 3.41 A)
&rst
ixpk= 1267, nxpk= 20, iat=1169,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 ILE HN 97 LEU HA 4.00 (# 1268:20 Unique 3.85, 4.02 A)
&rst
ixpk= 1268, nxpk= 20, iat=1583,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 LYS HN 96 LYS HA 3.00 (# 1269:20 Unique 2.27, 2.28 A)
&rst
ixpk= 1269, nxpk= 20, iat=1519,1521, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 LEU HN 96 LYS HA 4.00 (# 1270:20 Unique 3.52, 3.54 A)
&rst
ixpk= 1270, nxpk= 20, iat=1541,1521, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1272 96 LYS HA 3.00 (# 1272:20 Single 0.00, 0.00 )
&rst
ixpk= 1272, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1279, 728,
&end
#
# 23 GLU HN 23 GLU HA 3.00 (# 1273:20 Unique 2.94, 2.95 A)
&rst
ixpk= 1273, nxpk= 20, iat= 357, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASP HN 23 GLU HA 4.00 (# 1274:20 Unique 3.25, 3.32 A)
&rst
ixpk= 1274, nxpk= 20, iat= 372, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 ASP HN 6 ARG HA 4.00 (# 1276:20 Unique 3.44, 3.49 A)
&rst
ixpk= 1276, nxpk= 20, iat= 97, 75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 ARG HN 6 ARG HA 4.00 (# 1277:20 Unique 2.91, 2.94 A)
&rst
ixpk= 1277, nxpk= 20, iat= 73, 75, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 GLU HN 17 GLU HA 4.00 (# 1278:20 Unique 2.92, 2.93 A)
&rst
ixpk= 1278, nxpk= 20, iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 ILE HN 17 GLU HA 4.50 (# 1279:20 Unique 3.46, 3.49 A)
&rst
ixpk= 1279, nxpk= 20, iat= 281, 268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 TRP HD1 120 LEU HA 3.50 (# 1280:20 Unique 2.73, 2.98 A)
&rst
ixpk= 1280, nxpk= 20, iat=1879,1897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 LEU HN 120 LEU HA 3.00 (# 1282:20 Unique 2.88, 2.91 A)
&rst
ixpk= 1282, nxpk= 20, iat=1895,1897, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1283 120 LEU HA 4.00 (# 1283:20 Single 0.00, 0.00 )
&rst
ixpk= 1283, nxpk= 20, iat= -1,1897, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1914,1871,
&end
#
# 73 GLU HN 73 GLU HA 3.00 (# 1284:20 Unique 2.91, 2.93 A)
&rst
ixpk= 1284, nxpk= 20, iat=1181,1183, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1286 88 LYS HA 4.50 (# 1286:20 Single 0.00, 0.00 )
&rst
ixpk= 1286, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1422,1434,
&end
#
# 0 AMB 20-2:1287 51 LYS HA 5.00 (# 1287:20 Single 0.00, 0.00 )
&rst
ixpk= 1287, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 977,
&end
#
# 66 LEU HN 66 LEU HA 3.50 (# 1288:20 Unique 2.88, 2.92 A)
&rst
ixpk= 1288, nxpk= 20, iat=1090,1092, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLY HN 66 LEU HA 4.00 (# 1289:20 Unique 3.19, 3.34 A)
&rst
ixpk= 1289, nxpk= 20, iat=1109,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1290 38 ASP HA 3.00 (# 1290:20 Single 0.00, 0.00 )
&rst
ixpk= 1290, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 612, 624,
&end
#
# 6 ARG HN 5 GLU HA 5.00 (# 1291:20 Unique 2.69, 2.72 A)
&rst
ixpk= 1291, nxpk= 20, iat= 73, 60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLU HN 5 GLU HA 5.00 (# 1292:20 Unique 2.79, 2.84 A)
&rst
ixpk= 1292, nxpk= 20, iat= 58, 60, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 LEU HN 40 LEU HA 3.50 (# 1293:20 Unique 2.73, 2.79 A)
&rst
ixpk= 1293, nxpk= 20, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 48 TRP HE1 50 LYS HA 4.50 (# 1295:20 Unique 3.84, 4.07 A)
&rst
ixpk= 1295, nxpk= 20, iat= 782, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1296 49 LYS HA 3.00 (# 1296:20 Single 0.00, 0.00 )
&rst
ixpk= 1296, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 796,1007,
&end
#
# 50 LYS HN 49 LYS HA 2.80 (# 1297:20 Unique 2.22, 2.23 A)
&rst
ixpk= 1297, nxpk= 20, iat= 818, 798, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 LEU HN 114 ALA HA 4.00 (# 1298:20 Unique 3.23, 3.45 A)
&rst
ixpk= 1298, nxpk= 20, iat=1831,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 51 LYS HN 50 LYS HA 2.80 (# 1299:20 Unique 2.16, 2.37 A)
&rst
ixpk= 1299, nxpk= 20, iat= 840, 820, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LYS HN 50 LYS HA 3.00 (# 1300:20 Unique 2.89, 2.91 A)
&rst
ixpk= 1300, nxpk= 20, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 91 ASP HN 89 ASP HA 4.50 (# 1301:20 Unique 4.00, 4.07 A)
&rst
ixpk= 1301, nxpk= 20, iat=1446,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 ASP HN 21 ASP HA 3.00 (# 1302:20 Unique 2.76, 2.91 A)
&rst
ixpk= 1302, nxpk= 20, iat= 335, 337, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 ALA HN 21 ASP HA 4.00 (# 1303:20 Unique 3.49, 3.51 A)
&rst
ixpk= 1303, nxpk= 20, iat= 347, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 104 ASP HN 104 ASP HA 2.80 (# 1305:20 Unique 2.28, 2.28 A)
&rst
ixpk= 1305, nxpk= 20, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 105 VAL HN 104 ASP HA 3.00 (# 1306:20 Unique 2.61, 2.74 A)
&rst
ixpk= 1306, nxpk= 20, iat=1658,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 72 ASP HN 72 ASP HA 3.00 (# 1307:20 Unique 2.77, 2.89 A)
&rst
ixpk= 1307, nxpk= 20, iat=1169,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 74 CYS HN 72 ASP HA 5.00 (# 1308:20 Unique 4.60, 4.97 A)
&rst
ixpk= 1308, nxpk= 20, iat=1196,1171, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 TRP HN 29 ALA HA 4.00 (# 1309:20 Unique 3.65, 3.86 A)
&rst
ixpk= 1309, nxpk= 20, iat= 494, 462, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1310 29 ALA HA 5.00 (# 1310:20 Single 0.00, 0.00 )
&rst
ixpk= 1310, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 470, 487,
&end
#
# 29 ALA HN 29 ALA HA 3.00 (# 1311:20 Unique 2.76, 2.79 A)
&rst
ixpk= 1311, nxpk= 20, iat= 460, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 89 ASP HN 89 ASP HA 3.20 (# 1313:20 Unique 2.28, 2.29 A)
&rst
ixpk= 1313, nxpk= 20, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 60 GLU HN 59 GLU HA 2.80 (# 1314:20 Unique 2.14, 2.16 A)
&rst
ixpk= 1314, nxpk= 20, iat= 992, 979, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 122 ARG HN 121 ALA HA 4.00 (# 1315:20 Unique 3.41, 3.52 A)
&rst
ixpk= 1315, nxpk= 20, iat=1924,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 125 LYS HN 124 TYR HA 3.30 (# 1316:20 Unique 2.89, 3.34 A)
&rst
ixpk= 1316, nxpk= 20, iat=1976,1957, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 124 TYR HD 124 TYR HA 4.00 (# 1318:20 Unique 1.89, 4.06 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1963,1972,
&end
#
# 121 ALA HN 121 ALA HA 3.00 (# 1319:20 Unique 2.72, 2.75 A)
&rst
ixpk= 1319, nxpk= 20, iat=1914,1916, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 123 GLY HN 121 ALA HA 4.00 (# 1320:20 Unique 3.49, 3.80 A)
&rst
ixpk= 1320, nxpk= 20, iat=1948,1916, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 123 GLY HN 122 ARG HA 3.60 (# 1321:20 Unique 2.80, 3.19 A)
&rst
ixpk= 1321, nxpk= 20, iat=1948,1926, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 122 ARG HN 122 ARG HA 3.50 (# 1322:20 Unique 2.75, 2.85 A)
&rst
ixpk= 1322, nxpk= 20, iat=1924,1926, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ASP HN 106 ASP HA 3.00 (# 1323:20 Unique 2.71, 2.74 A)
&rst
ixpk= 1323, nxpk= 20, iat=1686,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 ASP HN 106 ASP HA 3.00 (# 1324:20 Unique 2.88, 2.92 A)
&rst
ixpk= 1324, nxpk= 20, iat=1674,1676, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 GLY HA- 102 ALA HA 4.00 (# 1326:20 Unique 2.17, 2.94 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 745, 746,
&end
#
# 0 AMB 20-2:1327 102 ALA HA 3.80 (# 1327:20 Single 0.00, 0.00 )
&rst
ixpk= 1327, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1617, 750,
&end
#
# 103 ILE HN 102 ALA HA 2.80 (# 1328:20 Unique 2.14, 2.15 A)
&rst
ixpk= 1328, nxpk= 20, iat=1627,1619, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 GLU HN 22 ALA HA 2.80 (# 1329:20 Unique 2.15, 2.17 A)
&rst
ixpk= 1329, nxpk= 20, iat= 357, 349, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1330 22 ALA HA 3.00 (# 1330:20 Single 0.00, 0.00 )
&rst
ixpk= 1330, nxpk= 20, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 347, 372,
&end
#
# 4 VAL HN 2 ALA HA 4.40 (# 1331:20 Unique 4.30, 4.81 A)
&rst
ixpk= 1331, nxpk= 20, iat= 42, 23, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 69 ALA HN 69 ALA HA 4.00 (# 1333:20 Unique 2.81, 2.86 A)
&rst
ixpk= 1333, nxpk= 20, iat=1133,1135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1334 0 AMB 20-1:1334 6.00 (# 1334:20 Double 0.00, 0.00 )
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1367,1422,
igr2=1388,1389,1388,1389,
&end
#
# 86 GLY HN 86 GLY HA+ 3.00 (# 1335:20 Unique 2.71, 2.81 A)
&rst
ixpk= 1335, nxpk= 20, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1388,1389,
&end
#
# 87 GLY HN 86 GLY HA+ 4.00 (# 1336:20 Unique 2.93, 3.24 A)
&rst
ixpk= 1336, nxpk= 20, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1388,1389,
&end
#
# 88 LYS HN 87 GLY HA- 4.00 (# 1337:20 Unique 2.28, 2.97 A)
&rst
ixpk= 1337, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1395,1396,
&end
#
# 0 AMB 20-2:1338 0 AMB 20-1:1338 4.80 (# 1338:20 Double 0.00, 0.00 )
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1386,1355,
igr2=1395,1396,1395,1396,
&end
#
# 88 LYS HN 87 GLY HA+ 4.00 (# 1340:20 Unique 2.28, 2.97 A)
&rst
ixpk= 1340, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1395,1396,
&end
#
# 87 GLY HN 87 GLY HA- 3.50 (# 1341:20 Unique 2.32, 2.62 A)
&rst
ixpk= 1341, nxpk= 20, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1395,1396,
&end
#
# 87 GLY HN 87 GLY HA+ 3.50 (# 1342:20 Unique 2.32, 2.62 A)
&rst
ixpk= 1342, nxpk= 20, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1395,1396,
&end
#
# 103 ILE HN 46 GLY HA+ 3.50 (# 1343:20 Unique 1.97, 2.89 A)
&rst
ixpk= 1343, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 745, 746,
&end
#
# 47 LYS HN 46 GLY HA+ 3.00 (# 1344:20 Unique 2.15, 2.59 A)
&rst
ixpk= 1344, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 745, 746,
&end
#
# 124 TYR HN 123 GLY HA+ 3.50 (# 1345:20 Unique 2.25, 3.00 A)
&rst
ixpk= 1345, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1950,1951,
&end
#
# 122 ARG HN 123 GLY HA+ 5.50 (# 1346:20 Unique 4.85, 5.15 A)
&rst
ixpk= 1346, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1950,1951,
&end
#
# 123 GLY HN 123 GLY HA+ 3.00 (# 1347:20 Unique 2.29, 2.62 A)
&rst
ixpk= 1347, nxpk= 20, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1950,1951,
&end
#
# 123 GLY HN 123 GLY HA- 3.00 (# 1348:20 Unique 2.29, 2.62 A)
&rst
ixpk= 1348, nxpk= 20, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1950,1951,
&end
#
# 124 TYR HN 123 GLY HA- 3.50 (# 1349:20 Unique 2.25, 3.00 A)
&rst
ixpk= 1349, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1950,1951,
&end
#
# 68 MET HN 67 GLY HA+ 3.00 (# 1350:20 Unique 2.17, 2.93 A)
&rst
ixpk= 1350, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1111,1112,
&end
#
# 67 GLY HN 67 GLY HA+ 3.00 (# 1351:20 Unique 2.49, 2.76 A)
&rst
ixpk= 1351, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1111,1112,
&end
#
# 68 MET HN 67 GLY HA- 3.00 (# 1352:20 Unique 2.17, 2.93 A)
&rst
ixpk= 1352, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1111,1112,
&end
#
# 67 GLY HN 67 GLY HA- 3.20 (# 1353:20 Unique 2.49, 2.76 A)
&rst
ixpk= 1353, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1111,1112,
&end
#
# 13 ARG HE 13 ARG HD+ 3.50 (# 1355:20 Unique 2.28, 2.77 A)
&rst
ixpk= 1355, nxpk= 20, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 204, 205,
&end
#
# 6 ARG HN 6 ARG HD- 4.00 (# 1356:20 Unique 1.84, 3.39 A)
&rst
ixpk= 1356, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 83, 84,
&end
#
# 66 LEU HN 66 LEU HB+ 3.50 (# 1357:20 Unique 2.22, 2.96 A)
&rst
ixpk= 1357, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 67 GLY HN 66 LEU HB+ 4.00 (# 1358:20 Unique 3.17, 3.71 A)
&rst
ixpk= 1358, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1094,1095,
&end
#
# 78 MET HN 77 ASP HB+ 4.00 (# 1360:20 Unique 2.49, 3.43 A)
&rst
ixpk= 1360, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1252,1253,
&end
#
# 79 TYR HE 77 ASP HB+ 4.00 (# 1361:20 Unique 1.91, 5.19 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1287,1292,
igr2=1252,1253,
&end
#
# 77 ASP HN 77 ASP HB+ 4.00 (# 1362:20 Unique 2.45, 3.36 A)
&rst
ixpk= 1362, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1252,1253,
&end
#
# 77 ASP HN 77 ASP HB- 4.00 (# 1364:20 Unique 2.45, 3.36 A)
&rst
ixpk= 1364, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1252,1253,
&end
#
# 79 TYR HE 77 ASP HB- 4.00 (# 1365:20 Unique 1.91, 5.19 A)
&rst
ixpk= 1365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1287,1292,
igr2=1252,1253,
&end
#
# 0 AMB 20-2:1366 0 AMB 20-1:1366 4.00 (# 1366:20 Double 0.00, 0.00 )
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1260, 97,
igr2=1252,1253, 101, 102,
&end
#
# 24 ASP HA 24 ASP HB+ 3.00 (# 1367:20 Unique 2.36, 2.83 A)
&rst
ixpk= 1367, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 376, 377,
&end
#
# 25 LYS HN 24 ASP HB+ 3.00 (# 1368:20 Unique 2.11, 3.36 A)
&rst
ixpk= 1368, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 376, 377,
&end
#
# 25 LYS HN 24 ASP HB- 3.00 (# 1369:20 Unique 2.11, 3.36 A)
&rst
ixpk= 1369, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 376, 377,
&end
#
# 24 ASP HA 24 ASP HB- 3.00 (# 1371:20 Unique 2.36, 2.83 A)
&rst
ixpk= 1371, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 376, 377,
&end
#
# 7 ASP HA 7 ASP HB- 3.00 (# 1372:20 Unique 2.36, 2.77 A)
&rst
ixpk= 1372, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 101, 102,
&end
#
# 7 ASP HA 7 ASP HB+ 3.50 (# 1373:20 Unique 2.36, 2.77 A)
&rst
ixpk= 1373, nxpk= 20, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 101, 102,
&end
#
# 96 LYS HN 96 LYS HE+ 3.50 (# 1374:20 Unique 1.77, 3.04 A)
&rst
ixpk= 1374, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1532,1533,
&end
#
# 0 AMB 20-2:1376 0 AMB 20-1:1376 3.00 (# 1376:20 Double 0.00, 0.00 )
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 612, 624,
igr2= 616, 617, 616, 617,
&end
#
# 37 ASP HN 37 ASP HB+ 3.00 (# 1377:20 Unique 2.07, 2.67 A)
&rst
ixpk= 1377, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 38 ASP HN 37 ASP HB+ 4.00 (# 1378:20 Unique 2.46, 3.32 A)
&rst
ixpk= 1378, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 604, 605,
&end
#
# 37 ASP HN 37 ASP HB- 3.00 (# 1379:20 Unique 2.07, 2.67 A)
&rst
ixpk= 1379, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 38 ASP HN 37 ASP HB- 4.00 (# 1380:20 Unique 2.46, 3.32 A)
&rst
ixpk= 1380, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 604, 605,
&end
#
# 25 LYS HN 25 LYS HE+ 4.00 (# 1381:20 Unique 2.03, 3.20 A)
&rst
ixpk= 1381, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 397, 398,
&end
#
# 96 LYS HN 96 LYS HE- 3.50 (# 1385:20 Unique 1.77, 3.04 A)
&rst
ixpk= 1385, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1532,1533,
&end
#
# 120 LEU HN 120 LEU HB+ 3.00 (# 1389:20 Unique 2.11, 2.67 A)
&rst
ixpk= 1389, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1899,1900,
&end
#
# 121 ALA HN 120 LEU HB+ 5.00 (# 1390:20 Unique 2.49, 3.35 A)
&rst
ixpk= 1390, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1899,1900,
&end
#
# 120 LEU HN 120 LEU HB- 3.50 (# 1391:20 Unique 2.11, 2.67 A)
&rst
ixpk= 1391, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1899,1900,
&end
#
# 48 TRP HE1 99 ASP HB- 3.50 (# 1394:20 Unique 2.11, 2.82 A)
&rst
ixpk= 1394, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1575,1576,
&end
#
# 0 AMB 20-2:1395 0 AMB 20-1:1395 3.00 (# 1395:20 Double 0.00, 0.00 )
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1355,1386,
igr2=1359,1360,1359,1360,
&end
#
# 107 ASP HN 106 ASP HB+ 3.00 (# 1397:20 Unique 2.08, 2.89 A)
&rst
ixpk= 1397, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1678,1679,
&end
#
# 47 LYS HN 47 LYS HE+ 5.50 (# 1398:20 Unique 4.60, 5.20 A)
&rst
ixpk= 1398, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 763, 764,
&end
#
# 47 LYS HA 47 LYS HE+ 5.00 (# 1399:20 Unique 2.10, 4.22 A)
&rst
ixpk= 1399, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 763, 764,
&end
#
# 107 ASP HN 106 ASP HB- 3.00 (# 1400:20 Unique 2.08, 2.89 A)
&rst
ixpk= 1400, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1678,1679,
&end
#
# 75 LEU HN 75 LEU HB- 3.00 (# 1401:20 Unique 2.48, 3.32 A)
&rst
ixpk= 1401, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 75 LEU HN 75 LEU HB+ 4.00 (# 1402:20 Unique 2.48, 3.32 A)
&rst
ixpk= 1402, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1211,1212,
&end
#
# 97 LEU HN 97 LEU HB- 3.50 (# 1403:20 Unique 2.20, 2.98 A)
&rst
ixpk= 1403, nxpk= 20, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,
&end
#
# 121 ALA HN 120 LEU HB- 4.00 (# 1404:20 Unique 2.49, 3.35 A)
&rst
ixpk= 1404, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1899,1900,
&end
#
# 120 LEU HN 120 LEU HB- 3.00 (# 1405:20 Unique 2.11, 2.67 A)
&rst
ixpk= 1405, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1899,1900,
&end
#
# 48 TRP HE1 99 ASP HB+ 3.50 (# 1407:20 Unique 2.11, 2.82 A)
&rst
ixpk= 1407, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1575,1576,
&end
#
# 99 ASP HN 99 ASP HB+ 4.00 (# 1408:20 Unique 3.00, 3.29 A)
&rst
ixpk= 1408, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1575,1576,
&end
#
# 99 ASP HA 99 ASP HB+ 3.00 (# 1409:20 Unique 2.62, 2.82 A)
&rst
ixpk= 1409, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1575,1576,
&end
#
# 48 TRP HD1 99 ASP HB+ 4.80 (# 1411:20 Unique 2.62, 3.69 A)
&rst
ixpk= 1411, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1575,1576,
&end
#
# 0 AMB 20-2:1412 0 AMB 20-1:1412 3.50 (# 1412:20 Double 0.00, 0.00 )
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 714, 722, 680, 688,
igr2= 710, 711, 710, 711,
&end
#
# 44 PHE HA 44 PHE HB- 3.00 (# 1413:20 Unique 2.26, 2.47 A)
&rst
ixpk= 1413, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 710, 711,
&end
#
# 99 ASP HN 99 ASP HB- 3.50 (# 1414:20 Unique 3.00, 3.29 A)
&rst
ixpk= 1414, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1575,1576,
&end
#
# 93 TYR HD 61 LYS HE+ 7.00 (# 1417:20 Unique 2.81, 5.68 A)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1482,1491,
igr2=1020,1021,
&end
#
# 0 AMB 20-2:1418 0 AMB 20-1:1418 6.00 (# 1418:20 Double 0.00, 0.00 )
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1386,1355,1029,
igr2=1426,1427,1020,1021,
&end
#
# 48 TRP HD1 61 LYS HE- 6.00 (# 1419:20 Unique 4.75, 5.40 A)
&rst
ixpk= 1419, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1020,1021,
&end
#
# 79 TYR HN 79 TYR HB+ 4.00 (# 1420:20 Unique 2.66, 3.38 A)
&rst
ixpk= 1420, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1281,1282,
&end
#
# 80 VAL HN 79 TYR HB+ 4.00 (# 1421:20 Unique 1.86, 3.07 A)
&rst
ixpk= 1421, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1281,1282,
&end
#
# 0 AMB 20-2:1423 0 AMB 20-1:1423 5.00 (# 1423:20 Double 0.00, 0.00 )
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1497,1347,
igr2=1281,1282,1359,1360,1450,1451,
&end
#
# 0 AMB 20-2:1424 84 ASP HB- 4.00 (# 1424:20 Single 0.00, 0.00 )
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1355,1386,
igr2=1359,1360,
&end
#
# 45 MET HN 44 PHE HB+ 4.00 (# 1429:20 Unique 3.01, 3.77 A)
&rst
ixpk= 1429, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 710, 711,
&end
#
# 44 PHE HA 44 PHE HB+ 3.00 (# 1431:20 Unique 2.26, 2.47 A)
&rst
ixpk= 1431, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 710, 711,
&end
#
# 45 MET HN 44 PHE HB- 4.00 (# 1432:20 Unique 3.01, 3.77 A)
&rst
ixpk= 1432, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 710, 711,
&end
#
# 93 TYR HA 93 TYR HB+ 5.00 (# 1435:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1435, nxpk= 20, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1478,1479,
&end
#
# 94 THR HN 93 TYR HB+ 5.00 (# 1436:20 Unique 2.40, 2.84 A)
&rst
ixpk= 1436, nxpk= 20, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1478,1479,
&end
#
# 91 ASP HN 89 ASP HB+ 5.50 (# 1437:20 Unique 4.37, 4.96 A)
&rst
ixpk= 1437, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1426,1427,
&end
#
# 90 ASP HN 89 ASP HB+ 3.80 (# 1438:20 Unique 2.10, 3.11 A)
&rst
ixpk= 1438, nxpk= 20, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1426,1427,
&end
#
# 90 ASP HN 89 ASP HB- 3.80 (# 1440:20 Unique 2.10, 3.11 A)
&rst
ixpk= 1440, nxpk= 20, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1426,1427,
&end
#
# 91 ASP HN 91 ASP HB+ 3.00 (# 1441:20 Unique 2.20, 2.94 A)
&rst
ixpk= 1441, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1450,1451,
&end
#
# 92 VAL HN 91 ASP HB+ 4.00 (# 1442:20 Unique 2.82, 3.61 A)
&rst
ixpk= 1442, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1450,1451,
&end
#
# 94 THR HN 93 TYR HB- 5.00 (# 1443:20 Unique 2.40, 2.84 A)
&rst
ixpk= 1443, nxpk= 20, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1478,1479,
&end
#
# 91 ASP HN 91 ASP HB- 4.00 (# 1444:20 Unique 2.20, 2.94 A)
&rst
ixpk= 1444, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1450,1451,
&end
#
# 93 TYR HA 93 TYR HB- 5.00 (# 1447:20 Unique 2.23, 2.63 A)
&rst
ixpk= 1447, nxpk= 20, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1478,1479,
&end
#
# 93 TYR HN 93 TYR HB+ 6.00 (# 1449:20 Unique 2.82, 3.38 A)
&rst
ixpk= 1449, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1478,1479,
&end
#
# 93 TYR HD 93 TYR HB+ 5.00 (# 1450:20 Unique 2.31, 3.06 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1482,1491,
igr2=1478,1479,
&end
#
# 107 ASP HN 107 ASP HB- 3.00 (# 1455:20 Unique 2.09, 2.94 A)
&rst
ixpk= 1455, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1690,1691,
&end
#
# 118 TYR HN 117 LEU HB- 4.00 (# 1456:20 Unique 2.60, 3.19 A)
&rst
ixpk= 1456, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1835,1836,
&end
#
# 117 LEU HN 117 LEU HB- 3.80 (# 1457:20 Unique 2.24, 3.01 A)
&rst
ixpk= 1457, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1835,1836,
&end
#
# 117 LEU HN 117 LEU HB+ 3.50 (# 1458:20 Unique 2.24, 3.01 A)
&rst
ixpk= 1458, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1835,1836,
&end
#
# 118 TYR HN 117 LEU HB+ 3.80 (# 1459:20 Unique 2.60, 3.19 A)
&rst
ixpk= 1459, nxpk= 20, iat=1850, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1835,1836,
&end
#
# 107 ASP HN 107 ASP HB+ 3.00 (# 1461:20 Unique 2.09, 2.94 A)
&rst
ixpk= 1461, nxpk= 20, iat=1686, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1690,1691,
&end
#
# 90 ASP HN 90 ASP HB+ 3.00 (# 1462:20 Unique 2.41, 2.90 A)
&rst
ixpk= 1462, nxpk= 20, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1438,1439,
&end
#
# 91 ASP HN 90 ASP HB+ 3.70 (# 1463:20 Unique 3.12, 3.68 A)
&rst
ixpk= 1463, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1438,1439,
&end
#
# 22 ALA HN 21 ASP HB- 4.00 (# 1465:20 Unique 2.21, 3.32 A)
&rst
ixpk= 1465, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 339, 340,
&end
#
# 47 LYS HN 103 ILE HB 5.00 (# 1466:20 Unique 4.04, 4.22 A)
&rst
ixpk= 1466, nxpk= 20, iat= 750,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 MET HN 103 ILE HB 5.50 (# 1467:20 Unique 4.92, 5.07 A)
&rst
ixpk= 1467, nxpk= 20, iat= 726,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 ASP HN 21 ASP HB+ 3.20 (# 1468:20 Unique 2.35, 2.76 A)
&rst
ixpk= 1468, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 339, 340,
&end
#
# 22 ALA HN 21 ASP HB+ 5.00 (# 1469:20 Unique 2.21, 3.32 A)
&rst
ixpk= 1469, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 339, 340,
&end
#
# 103 ILE HN 103 ILE HB 3.00 (# 1471:20 Unique 2.21, 2.37 A)
&rst
ixpk= 1471, nxpk= 20, iat=1627,1631, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 46 GLY HA- 103 ILE HB 5.50 (# 1472:20 Unique 2.38, 3.85 A)
&rst
ixpk= 1472, nxpk= 20, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 745, 746,
&end
#
# 115 ASP HN 115 ASP HB+ 3.50 (# 1473:20 Unique 2.08, 2.82 A)
&rst
ixpk= 1473, nxpk= 20, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 116 TRP HN 115 ASP HB+ 3.50 (# 1474:20 Unique 2.52, 2.98 A)
&rst
ixpk= 1474, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 116 TRP HN 115 ASP HB- 3.50 (# 1475:20 Unique 2.52, 2.98 A)
&rst
ixpk= 1475, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 115 ASP HN 115 ASP HB- 3.50 (# 1476:20 Unique 2.08, 2.82 A)
&rst
ixpk= 1476, nxpk= 20, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1799,1800,
&end
#
# 108 ASP HN 108 ASP HB+ 3.00 (# 1477:20 Unique 2.07, 2.76 A)
&rst
ixpk= 1477, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1702,1703,
&end
#
# 108 ASP HN 108 ASP HB- 3.00 (# 1478:20 Unique 2.07, 2.76 A)
&rst
ixpk= 1478, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1702,1703,
&end
#
# 109 THR HN 108 ASP HB- 3.50 (# 1479:20 Unique 2.52, 2.89 A)
&rst
ixpk= 1479, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1702,1703,
&end
#
# 40 LEU HN 40 LEU HB+ 3.50 (# 1480:20 Unique 2.10, 2.83 A)
&rst
ixpk= 1480, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:1481 0 AMB 20-1:1481 3.50 (# 1481:20 Double 0.00, 0.00 )
&rst
ixpk= 1481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 672, 657,
igr2= 642, 643, 642, 643,
&end
#
# 40 LEU HN 40 LEU HB- 3.50 (# 1482:20 Unique 2.10, 2.83 A)
&rst
ixpk= 1482, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:1483 40 LEU HB- 4.00 (# 1483:20 Single 0.00, 0.00 )
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 716, 720, 682, 686,
igr2= 642, 643,
&end
#
# 42 PHE HD 42 PHE HB- 3.50 (# 1485:20 Unique 2.33, 3.04 A)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 680, 688,
igr2= 676, 677,
&end
#
# 33 TYR HN 33 TYR HB+ 3.00 (# 1487:20 Unique 2.29, 2.54 A)
&rst
ixpk= 1487, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 522, 523,
&end
#
# 34 TYR HN 33 TYR HB+ 4.50 (# 1488:20 Unique 2.27, 3.09 A)
&rst
ixpk= 1488, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 522, 523,
&end
#
# 42 PHE HD 42 PHE HB+ 3.00 (# 1491:20 Unique 2.33, 3.04 A)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 680, 688,
igr2= 676, 677,
&end
#
# 35 TYR HN 35 TYR HB+ 3.50 (# 1492:20 Unique 2.12, 3.00 A)
&rst
ixpk= 1492, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 564, 565,
&end
#
# 35 TYR HD 35 TYR HB+ 3.50 (# 1493:20 Unique 2.31, 3.05 A)
&rst
ixpk= 1493, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 568, 577,
igr2= 564, 565,
&end
#
# 104 ASP HN 104 ASP HB+ 3.00 (# 1495:20 Unique 3.03, 3.48 A)
&rst
ixpk= 1495, nxpk= 20, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1650,1651,
&end
#
# 105 VAL HN 104 ASP HB+ 4.80 (# 1496:20 Unique 4.19, 4.40 A)
&rst
ixpk= 1496, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1650,1651,
&end
#
# 104 ASP HN 104 ASP HB- 4.00 (# 1497:20 Unique 3.03, 3.48 A)
&rst
ixpk= 1497, nxpk= 20, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1650,1651,
&end
#
# 105 VAL HN 104 ASP HB- 4.00 (# 1498:20 Unique 4.19, 4.40 A)
&rst
ixpk= 1498, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1650,1651,
&end
#
# 58 ILE HN 58 ILE HB 3.00 (# 1499:20 Unique 2.32, 3.09 A)
&rst
ixpk= 1499, nxpk= 20, iat= 958, 962, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HA 100 ILE HB 3.00 (# 1500:20 Unique 2.59, 2.73 A)
&rst
ixpk= 1500, nxpk= 20, iat=1585,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HN 100 ILE HB 3.00 (# 1501:20 Unique 2.78, 2.92 A)
&rst
ixpk= 1501, nxpk= 20, iat=1583,1587, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 GLU HN 100 ILE HB 4.50 (# 1502:20 Unique 3.95, 4.03 A)
&rst
ixpk= 1502, nxpk= 20, iat=1602,1587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HN 14 ILE HB 3.00 (# 1503:20 Unique 2.95, 3.40 A)
&rst
ixpk= 1503, nxpk= 20, iat= 237, 222, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ILE HN 14 ILE HB 2.80 (# 1504:20 Unique 2.12, 2.21 A)
&rst
ixpk= 1504, nxpk= 20, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 ASP HN 71 ASP HB+ 3.50 (# 1505:20 Unique 2.09, 2.95 A)
&rst
ixpk= 1505, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1161,1162,
&end
#
# 118 TYR HD 118 TYR HB- 3.50 (# 1506:20 Unique 2.32, 3.07 A)
&rst
ixpk= 1506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1858,1867,
igr2=1854,1855,
&end
#
# 0 AMB 20-2:1507 118 TYR HB- 3.00 (# 1507:20 Single 0.00, 0.00 )
&rst
ixpk= 1507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1871,1850,
igr2=1854,1855,
&end
#
# 0 AMB 20-2:1508 0 AMB 20-1:1508 3.50 (# 1508:20 Double 0.00, 0.00 )
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1871,1850,
igr2=1854,1855,1854,1855,
&end
#
# 114 ALA HN 113 ILE HB 2.80 (# 1509:20 Unique 2.24, 2.29 A)
&rst
ixpk= 1509, nxpk= 20, iat=1785,1770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 113 ILE HN 113 ILE HB 3.00 (# 1510:20 Unique 2.42, 2.52 A)
&rst
ixpk= 1510, nxpk= 20, iat=1766,1770, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 126 PHE HD 126 PHE HB- 3.50 (# 1511:20 Unique 2.29, 3.04 A)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2006,2014,
igr2=2002,2003,
&end
#
# 126 PHE HN 126 PHE HB+ 4.00 (# 1513:20 Unique 2.66, 3.35 A)
&rst
ixpk= 1513, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 126 PHE HD 126 PHE HB+ 3.50 (# 1514:20 Unique 2.29, 3.04 A)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2006,2014,
igr2=2002,2003,
&end
#
# 85 ILE HN 85 ILE HB 3.00 (# 1515:20 Unique 3.60, 3.63 A)
&rst
ixpk= 1515, nxpk= 20, iat=1367,1371, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 VAL HA 85 ILE HB 5.00 (# 1516:20 Unique 4.72, 4.84 A)
&rst
ixpk= 1516, nxpk= 20, iat=1045,1371, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE HN 18 ILE HB 4.50 (# 1517:20 Unique 1.91, 2.40 A)
&rst
ixpk= 1517, nxpk= 20, iat= 300, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 ILE HN 18 ILE HB 4.50 (# 1518:20 Unique 2.36, 2.46 A)
&rst
ixpk= 1518, nxpk= 20, iat= 281, 285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 PHE HN 126 PHE HB- 4.00 (# 1519:20 Unique 2.66, 3.35 A)
&rst
ixpk= 1519, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2002,2003,
&end
#
# 34 TYR HN 34 TYR HB+ 3.00 (# 1520:20 Unique 2.24, 2.93 A)
&rst
ixpk= 1520, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 543, 544,
&end
#
# 35 TYR HN 34 TYR HB+ 3.50 (# 1521:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1521, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 543, 544,
&end
#
# 34 TYR HD 34 TYR HB+ 3.50 (# 1522:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 547, 556,
igr2= 543, 544,
&end
#
# 35 TYR HN 34 TYR HB- 3.50 (# 1525:20 Unique 2.40, 2.75 A)
&rst
ixpk= 1525, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 543, 544,
&end
#
# 34 TYR HD 34 TYR HB- 3.00 (# 1527:20 Unique 2.30, 3.06 A)
&rst
ixpk= 1527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 547, 556,
igr2= 543, 544,
&end
#
# 34 TYR HN 34 TYR HB- 4.00 (# 1528:20 Unique 2.24, 2.93 A)
&rst
ixpk= 1528, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 543, 544,
&end
#
# 26 GLU HN 26 GLU HG+ 3.00 (# 1529:20 Unique 2.47, 3.13 A)
&rst
ixpk= 1529, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 413, 414,
&end
#
# 23 GLU HN 27 GLU HG- 4.50 (# 1531:20 Unique 3.44, 4.07 A)
&rst
ixpk= 1531, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 428, 429,
&end
#
# 19 ILE HN 19 ILE HB 4.00 (# 1532:20 Unique 3.29, 3.52 A)
&rst
ixpk= 1532, nxpk= 20, iat= 300, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 VAL HN 19 ILE HB 5.00 (# 1533:20 Unique 2.75, 3.42 A)
&rst
ixpk= 1533, nxpk= 20, iat= 319, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:1534 0 AMB 20-1:1534 4.00 (# 1534:20 Double 0.00, 0.00 )
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1007, 796,
igr2= 999,1000, 999,1000,
&end
#
# 60 GLU HN 60 GLU HG+ 4.20 (# 1535:20 Unique 2.16, 3.16 A)
&rst
ixpk= 1535, nxpk= 20, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 999,1000,
&end
#
# 60 GLU HA 60 GLU HG+ 3.30 (# 1536:20 Unique 2.40, 2.73 A)
&rst
ixpk= 1536, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 999,1000,
&end
#
# 0 AMB 20-2:1538 27 GLU HG- 4.00 (# 1538:20 Single 0.00, 0.00 )
&rst
ixpk= 1538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 406, 436, 384,
igr2= 428, 429,
&end
#
# 24 ASP HN 27 GLU HG- 4.00 (# 1539:20 Unique 3.23, 3.41 A)
&rst
ixpk= 1539, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 428, 429,
&end
#
# 27 GLU HN 27 GLU HG- 3.00 (# 1540:20 Unique 1.90, 2.72 A)
&rst
ixpk= 1540, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 428, 429,
&end
#
# 27 GLU HN 27 GLU HG+ 3.00 (# 1541:20 Unique 1.90, 2.72 A)
&rst
ixpk= 1541, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 428, 429,
&end
#
# 0 AMB 20-2:1542 0 AMB 20-1:1542 4.50 (# 1542:20 Double 0.00, 0.00 )
&rst
ixpk= 1542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1007, 796,1090,
igr2= 999,1000,1066,1067,
&end
#
# 60 GLU HN 60 GLU HG- 3.80 (# 1543:20 Unique 2.16, 3.16 A)
&rst
ixpk= 1543, nxpk= 20, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 999,1000,
&end
#
# 60 GLU HA 60 GLU HG- 3.20 (# 1544:20 Unique 2.40, 2.73 A)
&rst
ixpk= 1544, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 999,1000,
&end
#
# 81 GLU HN 81 GLU HG+ 4.00 (# 1547:20 Unique 2.79, 3.47 A)
&rst
ixpk= 1547, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1321,1322,
&end
#
# 81 GLU HA 81 GLU HG+ 3.00 (# 1548:20 Unique 2.20, 2.64 A)
&rst
ixpk= 1548, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1321,1322,
&end
#
# 81 GLU HA 81 GLU HG- 4.00 (# 1549:20 Unique 2.20, 2.64 A)
&rst
ixpk= 1549, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1321,1322,
&end
#
# 81 GLU HN 81 GLU HG- 4.00 (# 1551:20 Unique 2.79, 3.47 A)
&rst
ixpk= 1551, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1321,1322,
&end
#
# 16 THR HN 15 GLU HG+ 3.50 (# 1552:20 Unique 2.48, 3.14 A)
&rst
ixpk= 1552, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 244, 245,
&end
#
# 15 GLU HN 15 GLU HG+ 4.00 (# 1553:20 Unique 3.81, 4.17 A)
&rst
ixpk= 1553, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 244, 245,
&end
#
# 6 ARG HN 5 GLU HG- 5.50 (# 1554:20 Unique 2.45, 3.26 A)
&rst
ixpk= 1554, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 65, 66,
&end
#
# 5 GLU HN 5 GLU HG- 5.50 (# 1555:20 Unique 2.14, 3.23 A)
&rst
ixpk= 1555, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 65, 66,
&end
#
# 6 ARG HN 5 GLU HG+ 5.50 (# 1556:20 Unique 2.45, 3.26 A)
&rst
ixpk= 1556, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 65, 66,
&end
#
# 5 GLU HN 5 GLU HG+ 5.00 (# 1557:20 Unique 2.14, 3.23 A)
&rst
ixpk= 1557, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 65, 66,
&end
#
# 23 GLU HN 23 GLU HG- 5.00 (# 1558:20 Unique 2.87, 3.36 A)
&rst
ixpk= 1558, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 364, 365,
&end
#
# 73 GLU HN 73 GLU HG- 3.00 (# 1559:20 Unique 2.68, 4.13 A)
&rst
ixpk= 1559, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1188,1189,
&end
#
# 64 GLU HN 63 VAL HB 3.00 (# 1560:20 Unique 2.05, 2.30 A)
&rst
ixpk= 1560, nxpk= 20, iat=1059,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 VAL HA 0 AMB 20-1:1561 4.00 (# 1561:20 Single 0.00, 0.00 )
&rst
ixpk= 1561, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1047,1066,1067,
&end
#
# 63 VAL HA 63 VAL HB 3.00 (# 1562:20 Unique 2.35, 2.51 A)
&rst
ixpk= 1562, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 ALA HN 111 GLU HG+ 4.40 (# 1565:20 Unique 4.40, 4.63 A)
&rst
ixpk= 1565, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1748,1749,
&end
#
# 17 GLU HN 17 GLU HG- 5.00 (# 1566:20 Unique 2.90, 3.52 A)
&rst
ixpk= 1566, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 273, 274,
&end
#
# 18 ILE HN 17 GLU HG- 6.00 (# 1567:20 Unique 4.17, 4.54 A)
&rst
ixpk= 1567, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 273, 274,
&end
#
# 0 AMB 20-2:1568 0 AMB 20-1:1568 5.50 (# 1568:20 Double 0.00, 0.00 )
&rst
ixpk= 1568, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 977, 862,
igr2= 984, 985, 984, 985,
&end
#
# 79 TYR HE 73 GLU HG- 6.00 (# 1569:20 Unique 1.97, 5.88 A)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1287,1292,
igr2=1188,1189,
&end
#
# 0 AMB 20-2:1570 59 GLU HG- 5.50 (# 1570:20 Single 0.00, 0.00 )
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 862, 992,
igr2= 984, 985,
&end
#
# 41 GLU HN 41 GLU HG+ 3.00 (# 1572:20 Unique 2.05, 3.03 A)
&rst
ixpk= 1572, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 664, 665,
&end
#
# 44 PHE HN 43 PRO HB- 4.00 (# 1573:20 Unique 2.81, 3.29 A)
&rst
ixpk= 1573, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 699, 700,
&end
#
# 102 ALA HN 101 GLU HG- 4.00 (# 1574:20 Unique 1.90, 3.62 A)
&rst
ixpk= 1574, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1609,1610,
&end
#
# 126 PHE HN 125 LYS HB+ 4.00 (# 1575:20 Unique 2.73, 4.10 A)
&rst
ixpk= 1575, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1980,1981,
&end
#
# 125 LYS HN 125 LYS HB+ 4.00 (# 1576:20 Unique 2.77, 3.67 A)
&rst
ixpk= 1576, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1980,1981,
&end
#
# 126 PHE HN 125 LYS HB- 4.00 (# 1577:20 Unique 2.73, 4.10 A)
&rst
ixpk= 1577, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1980,1981,
&end
#
# 125 LYS HN 125 LYS HB- 4.00 (# 1578:20 Unique 2.77, 3.67 A)
&rst
ixpk= 1578, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1980,1981,
&end
#
# 48 TRP HN 61 LYS HB- 4.50 (# 1579:20 Unique 3.41, 3.90 A)
&rst
ixpk= 1579, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1011,1012,
&end
#
# 62 THR HN 61 LYS HB- 4.00 (# 1580:20 Unique 4.00, 4.38 A)
&rst
ixpk= 1580, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1011,1012,
&end
#
# 61 LYS HN 61 LYS HB- 3.50 (# 1581:20 Unique 2.33, 2.81 A)
&rst
ixpk= 1581, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1011,1012,
&end
#
# 0 AMB 20-2:1582 61 LYS HB- 6.00 (# 1582:20 Single 0.00, 0.00 )
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 780,1482,1491,
igr2=1011,1012,
&end
#
# 48 TRP HN 61 LYS HB+ 4.50 (# 1583:20 Unique 3.41, 3.90 A)
&rst
ixpk= 1583, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1011,1012,
&end
#
# 62 THR HN 61 LYS HB+ 4.80 (# 1584:20 Unique 4.00, 4.38 A)
&rst
ixpk= 1584, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1011,1012,
&end
#
# 61 LYS HN 61 LYS HB+ 3.50 (# 1585:20 Unique 2.33, 2.81 A)
&rst
ixpk= 1585, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1011,1012,
&end
#
# 60 GLU HA 61 LYS HB+ 5.00 (# 1586:20 Unique 3.98, 4.68 A)
&rst
ixpk= 1586, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1011,1012,
&end
#
# 0 AMB 20-2:1587 0 AMB 20-1:1587 6.50 (# 1587:20 Double 0.00, 0.00 )
&rst
ixpk= 1587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1= 780,1482,1491,
igr2=1011,1012,1011,1012,
&end
#
# 8 GLU HN 8 GLU HG+ 3.00 (# 1588:20 Unique 2.39, 3.26 A)
&rst
ixpk= 1588, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 116, 117,
&end
#
# 9 THR HN 8 GLU HG+ 5.00 (# 1589:20 Unique 4.41, 4.73 A)
&rst
ixpk= 1589, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 116, 117,
&end
#
# 82 VAL HA 82 VAL HB 3.00 (# 1590:20 Unique 2.36, 2.57 A)
&rst
ixpk= 1590, nxpk= 20, iat=1331,1333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 67 GLY HN 80 VAL HB 4.00 (# 1593:20 Unique 2.27, 3.08 A)
&rst
ixpk= 1593, nxpk= 20, iat=1109,1302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:1594 82 VAL HB 4.50 (# 1594:20 Single 0.00, 0.00 )
&rst
ixpk= 1594, nxpk= 20, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1345,1059,
&end
#
# 78 MET HA 78 MET HB- 3.50 (# 1595:20 Unique 2.23, 2.71 A)
&rst
ixpk= 1595, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1264,1265,
&end
#
# 0 AMB 20-2:1596 0 AMB 20-1:1596 3.00 (# 1596:20 Double 0.00, 0.00 )
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1300,1228,
igr2=1302,1230,1231,
&end
#
# 105 VAL HN 105 VAL HB 4.20 (# 1598:20 Unique 3.72, 3.79 A)
&rst
ixpk= 1598, nxpk= 20, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 LYS HN 76 LYS HB- 4.00 (# 1599:20 Unique 2.99, 3.61 A)
&rst
ixpk= 1599, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1230,1231,
&end
#
# 76 LYS HA 76 LYS HB- 3.00 (# 1600:20 Unique 2.27, 2.61 A)
&rst
ixpk= 1600, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1230,1231,
&end
#
# 76 LYS HN 76 LYS HB+ 4.00 (# 1601:20 Unique 2.99, 3.61 A)
&rst
ixpk= 1601, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1230,1231,
&end
#
# 0 AMB 20-2:1602 0 AMB 20-1:1602 5.00 (# 1602:20 Double 0.00, 0.00 )
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1207, 714, 722,
igr2=1230,1231,1302,
&end
#
# 106 ASP HN 105 VAL HB 4.00 (# 1603:20 Unique 1.94, 2.15 A)
&rst
ixpk= 1603, nxpk= 20, iat=1674,1662, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 77 ASP HN 76 LYS HB- 4.00 (# 1604:20 Unique 2.35, 3.34 A)
&rst
ixpk= 1604, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1230,1231,
&end
#
# 48 TRP HN 47 LYS HB+ 5.00 (# 1605:20 Unique 3.92, 4.33 A)
&rst
ixpk= 1605, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 754, 755,
&end
#
# 47 LYS HN 47 LYS HB+ 3.00 (# 1606:20 Unique 2.14, 2.70 A)
&rst
ixpk= 1606, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 47 LYS HA 47 LYS HB+ 3.00 (# 1607:20 Unique 2.73, 2.85 A)
&rst
ixpk= 1607, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 47 LYS HN 47 LYS HB- 3.00 (# 1608:20 Unique 2.14, 2.70 A)
&rst
ixpk= 1608, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 47 LYS HA 47 LYS HB- 3.00 (# 1610:20 Unique 2.73, 2.85 A)
&rst
ixpk= 1610, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 754, 755,
&end
#
# 48 TRP HN 47 LYS HB- 4.00 (# 1611:20 Unique 3.92, 4.33 A)
&rst
ixpk= 1611, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 754, 755,
&end
#
# 4 VAL HN 4 VAL HB 3.50 (# 1613:20 Unique 2.71, 2.87 A)
&rst
ixpk= 1613, nxpk= 20, iat= 42, 46, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 TYR HN 92 VAL HB 6.00 (# 1615:20 Unique 3.43, 3.71 A)
&rst
ixpk= 1615, nxpk= 20, iat=1474,1462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 92 VAL HN 92 VAL HB 3.00 (# 1616:20 Unique 3.20, 3.55 A)
&rst
ixpk= 1616, nxpk= 20, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 GLU HN 110 GLN HG+ 5.00 (# 1618:20 Unique 3.79, 4.48 A)
&rst
ixpk= 1618, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1731,1732,
&end
#
# 110 GLN HN 110 GLN HG+ 4.00 (# 1619:20 Unique 4.00, 4.39 A)
&rst
ixpk= 1619, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1731,1732,
&end
#
# 110 GLN HE2- 110 GLN HG+ 4.00 (# 1622:20 Unique 2.28, 3.37 A)
&rst
ixpk= 1622, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1736,1737,
igr2=1731,1732,
&end
#
# 110 GLN HE2+ 110 GLN HG+ 4.00 (# 1623:20 Unique 2.28, 3.37 A)
&rst
ixpk= 1623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1736,1737,
igr2=1731,1732,
&end
#
# 51 LYS HN 50 LYS HB+ 4.00 (# 1624:20 Unique 3.14, 3.78 A)
&rst
ixpk= 1624, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 822, 823,
&end
#
# 50 LYS HN 50 LYS HB+ 3.00 (# 1625:20 Unique 2.40, 2.61 A)
&rst
ixpk= 1625, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 124 TYR HN 124 TYR HB+ 4.00 (# 1626:20 Unique 2.39, 3.11 A)
&rst
ixpk= 1626, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1959,1960,
&end
#
# 50 LYS HN 50 LYS HB- 3.00 (# 1628:20 Unique 2.40, 2.61 A)
&rst
ixpk= 1628, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 822, 823,
&end
#
# 124 TYR HN 124 TYR HB- 3.00 (# 1630:20 Unique 2.39, 3.11 A)
&rst
ixpk= 1630, nxpk= 20, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1959,1960,
&end
#
# 30 MET HN 30 MET HB+ 3.50 (# 1631:20 Unique 2.52, 3.09 A)
&rst
ixpk= 1631, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 474, 475,
&end
#
# 30 MET HN 30 MET HB- 3.50 (# 1632:20 Unique 2.52, 3.09 A)
&rst
ixpk= 1632, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 474, 475,
&end
#
# 45 MET HN 45 MET HB- 3.00 (# 1633:20 Unique 2.15, 2.87 A)
&rst
ixpk= 1633, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 730, 731,
&end
#
# 30 MET HN 30 MET HG+ 3.50 (# 1634:20 Unique 1.92, 2.81 A)
&rst
ixpk= 1634, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 477, 478,
&end
#
# 46 GLY HN 45 MET HB+ 4.00 (# 1635:20 Unique 2.96, 3.72 A)
&rst
ixpk= 1635, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 730, 731,
&end
#
# 44 PHE HA 45 MET HB+ 5.50 (# 1636:20 Unique 4.14, 4.83 A)
&rst
ixpk= 1636, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 730, 731,
&end
#
# 125 LYS HN 124 TYR HB+ 3.50 (# 1637:20 Unique 1.60, 3.11 A)
&rst
ixpk= 1637, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1959,1960,
&end
#
# 45 MET HA 45 MET HB- 3.00 (# 1639:20 Unique 2.23, 2.49 A)
&rst
ixpk= 1639, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 730, 731,
&end
#
# 46 GLY HN 45 MET HB- 5.00 (# 1640:20 Unique 2.96, 3.72 A)
&rst
ixpk= 1640, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 730, 731,
&end
#
# 45 MET HA 45 MET HB+ 3.00 (# 1641:20 Unique 2.23, 2.49 A)
&rst
ixpk= 1641, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 730, 731,
&end
#
# 45 MET HN 45 MET HB+ 3.80 (# 1642:20 Unique 2.15, 2.87 A)
&rst
ixpk= 1642, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 730, 731,
&end
#
# 30 MET HN 30 MET HG- 3.50 (# 1643:20 Unique 1.92, 2.81 A)
&rst
ixpk= 1643, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 477, 478,
&end
#
# 51 LYS HN 51 LYS HB- 3.00 (# 1644:20 Unique 2.06, 2.88 A)
&rst
ixpk= 1644, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 844, 845,
&end
#
# 89 ASP HN 88 LYS HB+ 4.50 (# 1645:20 Unique 2.67, 3.52 A)
&rst
ixpk= 1645, nxpk= 20, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1404,1405,
&end
#
# 0 AMB 20-2:1646 88 LYS HB- 4.50 (# 1646:20 Single 0.00, 0.00 )
&rst
ixpk= 1646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1434,1422,
igr2=1404,1405,
&end
#
# 45 MET HN 45 MET HG+ 4.00 (# 1647:20 Unique 3.12, 3.34 A)
&rst
ixpk= 1647, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 46 GLY HN 45 MET HG+ 5.00 (# 1648:20 Unique 3.18, 4.09 A)
&rst
ixpk= 1648, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 733, 734,
&end
#
# 45 MET HA 45 MET HG+ 4.00 (# 1649:20 Unique 3.26, 3.77 A)
&rst
ixpk= 1649, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 44 PHE HA 45 MET HG+ 6.50 (# 1650:20 Unique 5.17, 5.43 A)
&rst
ixpk= 1650, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2= 733, 734,
&end
#
# 45 MET HN 45 MET HG- 4.00 (# 1651:20 Unique 3.12, 3.34 A)
&rst
ixpk= 1651, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 46 GLY HN 45 MET HG- 4.00 (# 1652:20 Unique 3.18, 4.09 A)
&rst
ixpk= 1652, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 45 MET HA 45 MET HG- 4.00 (# 1653:20 Unique 3.26, 3.77 A)
&rst
ixpk= 1653, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 733, 734,
&end
#
# 46 GLY HA- 45 MET HG- 5.00 (# 1654:20 Unique 3.03, 4.70 A)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746,
igr2= 733, 734,
&end
#
# 71 ASP HN 70 PRO HB+ 3.50 (# 1656:20 Unique 2.18, 3.15 A)
&rst
ixpk= 1656, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1150,1151,
&end
#
# 96 LYS HN 96 LYS HB+ 4.00 (# 1657:20 Unique 3.29, 3.82 A)
&rst
ixpk= 1657, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1523,1524,
&end
#
# 96 LYS HN 96 LYS HB- 4.00 (# 1659:20 Unique 3.29, 3.82 A)
&rst
ixpk= 1659, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1523,1524,
&end
#
# 49 LYS HN 49 LYS HB- 3.80 (# 1660:20 Unique 2.73, 3.17 A)
&rst
ixpk= 1660, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 800, 801,
&end
#
# 23 GLU HN 23 GLU HB+ 3.00 (# 1661:20 Unique 2.59, 3.25 A)
&rst
ixpk= 1661, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 361, 362,
&end
#
# 49 LYS HN 49 LYS HB+ 3.00 (# 1662:20 Unique 2.73, 3.17 A)
&rst
ixpk= 1662, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 800, 801,
&end
#
# 0 AMB 20-2:1664 0 AMB 20-1:1664 6.00 (# 1664:20 Double 0.00, 0.00 )
&rst
ixpk= 1664, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 528, 533, 281,
igr2=1123,1124, 270, 271,
&end
#
# 0 AMB 20-2:1666 0 AMB 20-1:1666 4.00 (# 1666:20 Double 0.00, 0.00 )
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1074, 772,
igr2=1063,1064,1606,1607,
&end
#
# 64 GLU HN 64 GLU HB+ 3.00 (# 1667:20 Unique 2.51, 2.89 A)
&rst
ixpk= 1667, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1063,1064,
&end
#
# 17 GLU HN 17 GLU HB- 5.00 (# 1671:20 Unique 2.76, 3.34 A)
&rst
ixpk= 1671, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 270, 271,
&end
#
# 65 VAL HN 64 GLU HB- 5.00 (# 1672:20 Unique 4.19, 4.31 A)
&rst
ixpk= 1672, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1063,1064,
&end
#
# 64 GLU HN 64 GLU HB- 3.00 (# 1673:20 Unique 2.51, 2.89 A)
&rst
ixpk= 1673, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1063,1064,
&end
#
# 101 GLU HN 101 GLU HB+ 3.00 (# 1675:20 Unique 2.55, 2.84 A)
&rst
ixpk= 1675, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1606,1607,
&end
#
# 100 ILE HA 101 GLU HB+ 4.00 (# 1676:20 Unique 4.19, 4.49 A)
&rst
ixpk= 1676, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1606,1607,
&end
#
# 68 MET HN 68 MET HG- 4.00 (# 1677:20 Unique 1.69, 4.06 A)
&rst
ixpk= 1677, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1123,1124,
&end
#
# 46 GLY HA- 101 GLU HB- 5.00 (# 1678:20 Unique 3.84, 5.21 A)
&rst
ixpk= 1678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746,
igr2=1606,1607,
&end
#
# 60 GLU HA 60 GLU HB+ 3.00 (# 1679:20 Unique 2.43, 2.77 A)
&rst
ixpk= 1679, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 996, 997,
&end
#
# 0 AMB 20-2:1680 0 AMB 20-1:1680 4.00 (# 1680:20 Double 0.00, 0.00 )
&rst
ixpk= 1680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1007, 873,
igr2= 996, 997, 981, 982,
&end
#
# 50 LYS HN 59 GLU HB+ 4.80 (# 1681:20 Unique 3.39, 4.20 A)
&rst
ixpk= 1681, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:1682 0 AMB 20-1:1682 5.00 (# 1682:20 Double 0.00, 0.00 )
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 992, 862,
igr2= 996, 997, 981, 982,
&end
#
# 18 ILE HN 17 GLU HB- 5.00 (# 1683:20 Unique 2.65, 3.36 A)
&rst
ixpk= 1683, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 270, 271,
&end
#
# 0 AMB 20-2:1684 59 GLU HB- 5.50 (# 1684:20 Single 0.00, 0.00 )
&rst
ixpk= 1684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 862, 992,
igr2= 981, 982,
&end
#
# 0 AMB 20-2:1685 0 AMB 20-1:1685 5.00 (# 1685:20 Double 0.00, 0.00 )
&rst
ixpk= 1685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 752, 745, 746,
igr2= 776, 777, 776, 777,
&end
#
# 48 TRP HN 48 TRP HB+ 3.00 (# 1686:20 Unique 2.33, 2.55 A)
&rst
ixpk= 1686, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 776, 777,
&end
#
# 0 AMB 20-2:1688 48 TRP HB- 5.00 (# 1688:20 Single 0.00, 0.00 )
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 752, 745, 746,
igr2= 776, 777,
&end
#
# 48 TRP HN 48 TRP HB- 3.00 (# 1689:20 Unique 2.33, 2.55 A)
&rst
ixpk= 1689, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 776, 777,
&end
#
# 48 TRP HA 48 TRP HB- 3.50 (# 1690:20 Unique 2.51, 2.78 A)
&rst
ixpk= 1690, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 776, 777,
&end
#
# 48 TRP HA 48 TRP HB+ 3.50 (# 1691:20 Unique 2.51, 2.78 A)
&rst
ixpk= 1691, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 776, 777,
&end
#
# 61 LYS HN 48 TRP HB+ 4.00 (# 1692:20 Unique 2.30, 3.41 A)
&rst
ixpk= 1692, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 61 LYS HN 48 TRP HB+ 4.00 (# 1693:20 Unique 2.30, 3.41 A)
&rst
ixpk= 1693, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 6 ARG HN 6 ARG HB- 3.00 (# 1694:20 Unique 2.38, 3.35 A)
&rst
ixpk= 1694, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 77, 78,
&end
#
# 21 ASP HN 20 VAL HB 4.50 (# 1698:20 Unique 1.80, 1.87 A)
&rst
ixpk= 1698, nxpk= 20, iat= 335, 323, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HN 20 VAL HB 4.00 (# 1699:20 Unique 3.56, 3.64 A)
&rst
ixpk= 1699, nxpk= 20, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 GLU HN 81 GLU HB+ 3.50 (# 1700:20 Unique 2.18, 2.88 A)
&rst
ixpk= 1700, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1318,1319,
&end
#
# 81 GLU HA 81 GLU HB+ 3.00 (# 1701:20 Unique 2.58, 2.81 A)
&rst
ixpk= 1701, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1318,1319,
&end
#
# 81 GLU HN 81 GLU HB- 4.00 (# 1702:20 Unique 2.18, 2.88 A)
&rst
ixpk= 1702, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1318,1319,
&end
#
# 81 GLU HA 81 GLU HB- 3.50 (# 1703:20 Unique 2.58, 2.81 A)
&rst
ixpk= 1703, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1318,1319,
&end
#
# 15 GLU HN 15 GLU HB+ 3.00 (# 1705:20 Unique 2.13, 2.63 A)
&rst
ixpk= 1705, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 241, 242,
&end
#
# 0 AMB 20-2:1706 0 AMB 20-1:1706 4.00 (# 1706:20 Double 0.00, 0.00 )
&rst
ixpk= 1706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 372, 252,
igr2= 425, 426, 241, 242,
&end
#
# 6 ARG HN 5 GLU HB+ 5.00 (# 1707:20 Unique 1.85, 2.71 A)
&rst
ixpk= 1707, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 62, 63,
&end
#
# 5 GLU HN 5 GLU HB+ 5.50 (# 1708:20 Unique 2.37, 3.06 A)
&rst
ixpk= 1708, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 62, 63,
&end
#
# 15 GLU HN 15 GLU HB- 3.00 (# 1709:20 Unique 2.13, 2.63 A)
&rst
ixpk= 1709, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 241, 242,
&end
#
# 113 ILE HN 113 ILE HG1+ 3.50 (# 1711:20 Unique 1.96, 3.10 A)
&rst
ixpk= 1711, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 5 GLU HN 5 GLU HB- 5.00 (# 1712:20 Unique 2.37, 3.06 A)
&rst
ixpk= 1712, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 62, 63,
&end
#
# 113 ILE HN 113 ILE HG1- 3.50 (# 1714:20 Unique 1.96, 3.10 A)
&rst
ixpk= 1714, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 117 LEU HN 116 TRP HB- 4.00 (# 1715:20 Unique 2.25, 3.28 A)
&rst
ixpk= 1715, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1811,1812,
&end
#
# 111 GLU HN 111 GLU HB+ 3.00 (# 1716:20 Unique 2.44, 3.04 A)
&rst
ixpk= 1716, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1745,1746,
&end
#
# 112 ALA HN 111 GLU HB+ 3.00 (# 1717:20 Unique 2.40, 2.91 A)
&rst
ixpk= 1717, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1745,1746,
&end
#
# 73 GLU HN 73 GLU HB- 3.50 (# 1718:20 Unique 2.51, 3.13 A)
&rst
ixpk= 1718, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1185,1186,
&end
#
# 13 ARG HN 13 ARG HB+ 3.50 (# 1719:20 Unique 2.70, 3.19 A)
&rst
ixpk= 1719, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 198, 199,
&end
#
# 116 TRP HN 116 TRP HB+ 3.00 (# 1721:20 Unique 2.12, 2.57 A)
&rst
ixpk= 1721, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1811,1812,
&end
#
# 116 TRP HN 116 TRP HB- 3.00 (# 1722:20 Unique 2.12, 2.57 A)
&rst
ixpk= 1722, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1811,1812,
&end
#
# 25 LYS HN 25 LYS HD+ 4.20 (# 1723:20 Unique 1.93, 3.17 A)
&rst
ixpk= 1723, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 394, 395,
&end
#
# 96 LYS HN 96 LYS HD+ 4.20 (# 1725:20 Unique 2.32, 3.47 A)
&rst
ixpk= 1725, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1529,1530,
&end
#
# 65 VAL HN 65 VAL HB 4.00 (# 1727:20 Unique 2.32, 2.50 A)
&rst
ixpk= 1727, nxpk= 20, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 CYS HN 74 CYS HB+ 3.80 (# 1728:20 Unique 2.45, 3.14 A)
&rst
ixpk= 1728, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1200,1201,
&end
#
# 74 CYS HA 74 CYS HB+ 3.00 (# 1729:20 Unique 2.38, 2.57 A)
&rst
ixpk= 1729, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1200,1201,
&end
#
# 74 CYS HA 74 CYS HB- 3.00 (# 1730:20 Unique 2.38, 2.57 A)
&rst
ixpk= 1730, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1200,1201,
&end
#
# 74 CYS HN 74 CYS HB- 4.50 (# 1731:20 Unique 2.45, 3.14 A)
&rst
ixpk= 1731, nxpk= 20, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1200,1201,
&end
#
# 0 AMB 20-2:1734 0 AMB 20-1:1734 5.00 (# 1734:20 Double 0.00, 0.00 )
&rst
ixpk= 1734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 796,1007,
igr2= 806, 807, 806, 807,
&end
#
# 44 PHE HN 65 VAL HB 4.50 (# 1736:20 Unique 1.70, 2.08 A)
&rst
ixpk= 1736, nxpk= 20, iat= 706,1078, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 GLU HN 8 GLU HB+ 4.00 (# 1737:20 Unique 2.60, 3.76 A)
&rst
ixpk= 1737, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 113, 114,
&end
#
# 8 GLU HN 8 GLU HB- 4.00 (# 1738:20 Unique 2.60, 3.76 A)
&rst
ixpk= 1738, nxpk= 20, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 113, 114,
&end
#
# 76 LYS HA 76 LYS HD+ 4.20 (# 1740:20 Unique 3.89, 4.51 A)
&rst
ixpk= 1740, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1236,1237,
&end
#
# 51 LYS HN 51 LYS HD+ 5.00 (# 1742:20 Unique 3.10, 3.91 A)
&rst
ixpk= 1742, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 850, 851,
&end
#
# 47 LYS HA 47 LYS HD- 3.00 (# 1744:20 Unique 1.85, 2.38 A)
&rst
ixpk= 1744, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 760, 761,
&end
#
# 0 AMB 20-2:1745 0 AMB 20-1:1745 4.00 (# 1745:20 Double 0.00, 0.00 )
&rst
ixpk= 1745, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1029,1355,
igr2= 760, 761,1017,1018,1017,1018,
&end
#
# 93 TYR HD 61 LYS HD+ 6.50 (# 1746:20 Unique 3.74, 6.04 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1482,1491,
igr2=1017,1018,
&end
#
# 26 GLU HN 26 GLU HB+ 3.00 (# 1751:20 Unique 2.32, 3.02 A)
&rst
ixpk= 1751, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 410, 411,
&end
#
# 27 GLU HN 26 GLU HB+ 3.50 (# 1752:20 Unique 2.10, 2.73 A)
&rst
ixpk= 1752, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 410, 411,
&end
#
# 110 GLN HN 110 GLN HB+ 3.00 (# 1753:20 Unique 2.15, 2.56 A)
&rst
ixpk= 1753, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 111 GLU HN 110 GLN HB+ 3.50 (# 1754:20 Unique 2.07, 2.75 A)
&rst
ixpk= 1754, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1728,1729,
&end
#
# 26 GLU HN 26 GLU HB- 3.80 (# 1755:20 Unique 2.32, 3.02 A)
&rst
ixpk= 1755, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 410, 411,
&end
#
# 111 GLU HN 110 GLN HB- 3.00 (# 1756:20 Unique 2.07, 2.75 A)
&rst
ixpk= 1756, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 110 GLN HN 110 GLN HB- 3.00 (# 1757:20 Unique 2.15, 2.56 A)
&rst
ixpk= 1757, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1728,1729,
&end
#
# 125 LYS HN 125 LYS HD+ 5.00 (# 1758:20 Unique 3.28, 4.36 A)
&rst
ixpk= 1758, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1986,1987,
&end
#
# 61 LYS HN 0 AMB 20-1:1759 5.00 (# 1759:20 Single 0.00, 0.00 )
&rst
ixpk= 1759, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 760, 761,1017,1018,
&end
#
# 48 TRP HZ3 61 LYS HD+ 6.00 (# 1761:20 Unique 5.00, 5.78 A)
&rst
ixpk= 1761, nxpk= 20, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1017,1018,
&end
#
# 7 ASP HN 6 ARG HG+ 4.40 (# 1763:20 Unique 1.97, 3.10 A)
&rst
ixpk= 1763, nxpk= 20, iat= 97, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 80, 81,
&end
#
# 6 ARG HN 6 ARG HG+ 5.00 (# 1764:20 Unique 1.83, 3.25 A)
&rst
ixpk= 1764, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 80, 81,
&end
#
# 32 TRP HN 32 TRP HB+ 3.50 (# 1765:20 Unique 2.19, 2.91 A)
&rst
ixpk= 1765, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 11 GLU HN 11 GLU HB- 3.50 (# 1766:20 Unique 2.27, 2.97 A)
&rst
ixpk= 1766, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 166, 167,
&end
#
# 41 GLU HN 41 GLU HB+ 4.00 (# 1768:20 Unique 2.21, 3.12 A)
&rst
ixpk= 1768, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 661, 662,
&end
#
# 41 GLU HN 41 GLU HB- 4.00 (# 1769:20 Unique 2.21, 3.12 A)
&rst
ixpk= 1769, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 661, 662,
&end
#
# 119 TRP HN 119 TRP HB+ 3.00 (# 1770:20 Unique 2.08, 2.62 A)
&rst
ixpk= 1770, nxpk= 20, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1875,1876,
&end
#
# 119 TRP HN 119 TRP HB- 3.00 (# 1771:20 Unique 2.08, 2.62 A)
&rst
ixpk= 1771, nxpk= 20, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1875,1876,
&end
#
# 58 ILE HN 58 ILE HG1- 4.00 (# 1772:20 Unique 2.68, 3.44 A)
&rst
ixpk= 1772, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 968, 969,
&end
#
# 84 ASP HA 85 ILE HG1+ 5.00 (# 1773:20 Unique 3.78, 4.32 A)
&rst
ixpk= 1773, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1377,1378,
&end
#
# 58 ILE HN 58 ILE HG1+ 4.00 (# 1774:20 Unique 2.68, 3.44 A)
&rst
ixpk= 1774, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 968, 969,
&end
#
# 36 LEU HN 36 LEU HG 4.20 (# 1775:20 Unique 4.34, 4.41 A)
&rst
ixpk= 1775, nxpk= 20, iat= 581, 588, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 40 LEU HN 40 LEU HG 4.00 (# 1776:20 Unique 3.83, 4.08 A)
&rst
ixpk= 1776, nxpk= 20, iat= 638, 645, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 LYS HN 75 LEU HG 5.50 (# 1777:20 Unique 4.46, 4.67 A)
&rst
ixpk= 1777, nxpk= 20, iat=1226,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HN 75 LEU HG 4.50 (# 1778:20 Unique 2.90, 3.06 A)
&rst
ixpk= 1778, nxpk= 20, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 CYS HN 75 LEU HG 6.20 (# 1779:20 Unique 3.68, 3.85 A)
&rst
ixpk= 1779, nxpk= 20, iat=1196,1214, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 85 ILE HN 85 ILE HG1- 3.00 (# 1780:20 Unique 1.84, 2.37 A)
&rst
ixpk= 1780, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1377,1378,
&end
#
# 0 AMB 20-2:1781 85 ILE HG1- 4.00 (# 1781:20 Single 0.00, 0.00 )
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1059,1386,1029,
igr2=1377,1378,
&end
#
# 63 VAL HA 85 ILE HG1- 3.50 (# 1782:20 Unique 1.94, 2.84 A)
&rst
ixpk= 1782, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1377,1378,
&end
#
# 85 ILE HN 85 ILE HG1+ 3.00 (# 1783:20 Unique 1.84, 2.37 A)
&rst
ixpk= 1783, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1377,1378,
&end
#
# 63 VAL HA 85 ILE HG1+ 3.50 (# 1784:20 Unique 1.94, 2.84 A)
&rst
ixpk= 1784, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1377,1378,
&end
#
# 0 AMB 20-2:1785 0 AMB 20-1:1785 5.00 (# 1785:20 Double 0.00, 0.00 )
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1059,1386,1029,
igr2=1377,1378,1377,1378,1377,1378,
&end
#
# 117 LEU HN 117 LEU HG 3.00 (# 1786:20 Unique 2.16, 2.55 A)
&rst
ixpk= 1786, nxpk= 20, iat=1831,1838, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:1787 117 LEU HG 5.00 (# 1787:20 Single 0.00, 0.00 )
&rst
ixpk= 1787, nxpk= 20, iat= -1,1838, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1850,1914,
&end
#
# 47 LYS HN 103 ILE HG1+ 5.00 (# 1788:20 Unique 2.38, 4.37 A)
&rst
ixpk= 1788, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1637,1638,
&end
#
# 116 TRP HE1 97 LEU MDY 6.00 (# 1789:20 Unique 4.00, 6.00 A)
&rst
ixpk= 1789, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 97 LEU HN 97 LEU MDY 4.00 (# 1790:20 Unique 1.86, 3.39 A)
&rst
ixpk= 1790, nxpk= 20, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 44 PHE HE 97 LEU MDY 5.00 (# 1791:20 Unique 3.20, 5.71 A)
&rst
ixpk= 1791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 716, 720,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 47 LYS HN 103 ILE HG1- 4.00 (# 1793:20 Unique 2.38, 4.37 A)
&rst
ixpk= 1793, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1637,1638,
&end
#
# 46 GLY HA- 103 ILE HG1- 5.00 (# 1794:20 Unique 2.89, 5.31 A)
&rst
ixpk= 1794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746,
igr2=1637,1638,
&end
#
# 0 AMB 20-2:1795 103 ILE HG1- 3.50 (# 1795:20 Single 0.00, 0.00 )
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1627,1646,
igr2=1637,1638,
&end
#
# 19 ILE HN 19 ILE HG1- 3.00 (# 1796:20 Unique 1.82, 2.66 A)
&rst
ixpk= 1796, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 310, 311,
&end
#
# 19 ILE HN 19 ILE HG1+ 3.00 (# 1797:20 Unique 1.82, 2.66 A)
&rst
ixpk= 1797, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 310, 311,
&end
#
# 0 AMB 20-2:1798 0 AMB 20-1:1798 3.50 (# 1798:20 Double 0.00, 0.00 )
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1627,1646,
igr2=1637,1638,1637,1638,
&end
#
# 46 GLY HA- 103 ILE HG1+ 5.00 (# 1799:20 Unique 2.89, 5.31 A)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746,
igr2=1637,1638,
&end
#
# 96 LYS HN 96 LYS HG+ 4.00 (# 1802:20 Unique 3.15, 4.15 A)
&rst
ixpk= 1802, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1526,1527,
&end
#
# 100 ILE HN 100 ILE HG1- 4.00 (# 1803:20 Unique 4.46, 4.71 A)
&rst
ixpk= 1803, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1593,1594,
&end
#
# 100 ILE HA 100 ILE HG1- 3.00 (# 1804:20 Unique 1.95, 2.62 A)
&rst
ixpk= 1804, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 100 ILE HN 100 ILE HG1+ 4.00 (# 1805:20 Unique 4.46, 4.71 A)
&rst
ixpk= 1805, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1593,1594,
&end
#
# 100 ILE HA 100 ILE HG1+ 3.00 (# 1806:20 Unique 1.95, 2.62 A)
&rst
ixpk= 1806, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1593,1594,
&end
#
# 40 LEU HN 40 LEU MDX 4.00 (# 1812:20 Unique 2.04, 3.86 A)
&rst
ixpk= 1812, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 116 TRP HE1 120 LEU MDY 4.00 (# 1815:20 Unique 2.34, 4.80 A)
&rst
ixpk= 1815, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 121 ALA HN 120 LEU MDY 4.00 (# 1816:20 Unique 2.39, 4.72 A)
&rst
ixpk= 1816, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 120 LEU HN 0 AMB 20-1:1817 4.00 (# 1817:20 Single 0.00, 0.00 )
&rst
ixpk= 1817, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1904,1905,1906,1908,1909,1910,1928,1929,
&end
#
# 40 LEU HN 40 LEU MDY 4.00 (# 1820:20 Unique 2.04, 3.86 A)
&rst
ixpk= 1820, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:1821 40 LEU MDY 3.60 (# 1821:20 Single 0.00, 0.00 )
&rst
ixpk= 1821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 657, 672,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:1823 0 AMB 20-1:1823 4.00 (# 1823:20 Double 0.00, 0.00 )
&rst
ixpk= 1823, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1345,1059,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 66 LEU HN 0 AMB 20-1:1824 4.00 (# 1824:20 Single 0.00, 0.00 )
&rst
ixpk= 1824, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 82 VAL HA 66 LEU MDY 5.00 (# 1825:20 Unique 2.10, 4.26 A)
&rst
ixpk= 1825, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 18 ILE HN 18 ILE HG1- 5.50 (# 1827:20 Unique 2.27, 3.33 A)
&rst
ixpk= 1827, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 36 LEU HN 36 LEU MDX 4.00 (# 1829:20 Unique 3.28, 5.03 A)
&rst
ixpk= 1829, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 117 LEU HN 117 LEU MDX 4.50 (# 1833:20 Unique 1.94, 4.26 A)
&rst
ixpk= 1833, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:1834 117 LEU MDX 4.50 (# 1834:20 Single 0.00, 0.00 )
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1850,1914,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 76 LYS HN 75 LEU MDY 6.00 (# 1835:20 Unique 5.07, 6.06 A)
&rst
ixpk= 1835, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 76 LYS HN 76 LYS HG+ 3.00 (# 1836:20 Unique 2.50, 3.53 A)
&rst
ixpk= 1836, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1233,1234,
&end
#
# 77 ASP HN 76 LYS HG+ 5.00 (# 1837:20 Unique 1.88, 3.95 A)
&rst
ixpk= 1837, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1233,1234,
&end
#
# 75 LEU HN 76 LYS HG+ 5.00 (# 1838:20 Unique 2.79, 4.36 A)
&rst
ixpk= 1838, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1233,1234,
&end
#
# 76 LYS HA 76 LYS HG+ 3.00 (# 1839:20 Unique 2.59, 3.32 A)
&rst
ixpk= 1839, nxpk= 20, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1233,1234,
&end
#
# 49 LYS HN 49 LYS HG+ 4.00 (# 1840:20 Unique 1.60, 2.62 A)
&rst
ixpk= 1840, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 803, 804,
&end
#
# 50 LYS HN 0 AMB 20-1:1841 6.00 (# 1841:20 Single 0.00, 0.00 )
&rst
ixpk= 1841, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr2= 803, 804, 757, 758,
&end
#
# 49 LYS HN 49 LYS HG- 3.00 (# 1842:20 Unique 1.60, 2.62 A)
&rst
ixpk= 1842, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 803, 804,
&end
#
# 60 GLU HA 49 LYS HG- 5.00 (# 1843:20 Unique 4.97, 5.62 A)
&rst
ixpk= 1843, nxpk= 20, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 803, 804,
&end
#
# 75 LEU HN 75 LEU MDY 4.50 (# 1844:20 Unique 3.49, 4.88 A)
&rst
ixpk= 1844, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 47 LYS HN 47 LYS HG+ 5.00 (# 1845:20 Unique 4.34, 4.53 A)
&rst
ixpk= 1845, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 757, 758,
&end
#
# 51 LYS HN 51 LYS HG+ 4.50 (# 1847:20 Unique 3.83, 4.38 A)
&rst
ixpk= 1847, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 847, 848,
&end
#
# 48 TRP HN 47 LYS HG+ 5.50 (# 1848:20 Unique 3.70, 4.64 A)
&rst
ixpk= 1848, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 757, 758,
&end
#
# 47 LYS HA 47 LYS HG+ 4.00 (# 1849:20 Unique 2.56, 3.12 A)
&rst
ixpk= 1849, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 757, 758,
&end
#
# 47 LYS HN 47 LYS HG- 5.00 (# 1850:20 Unique 4.34, 4.53 A)
&rst
ixpk= 1850, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 757, 758,
&end
#
# 47 LYS HA 47 LYS HG- 3.80 (# 1851:20 Unique 2.56, 3.12 A)
&rst
ixpk= 1851, nxpk= 20, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 757, 758,
&end
#
# 48 TRP HN 0 AMB 20-1:1853 5.00 (# 1853:20 Single 0.00, 0.00 )
&rst
ixpk= 1853, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1014,1015,1014,1015,
&end
#
# 62 THR HN 61 LYS HG- 5.00 (# 1854:20 Unique 3.49, 4.28 A)
&rst
ixpk= 1854, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1014,1015,
&end
#
# 61 LYS HN 0 AMB 20-1:1855 4.80 (# 1855:20 Single 0.00, 0.00 )
&rst
ixpk= 1855, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1014,1015,1014,1015,
&end
#
# 62 THR HN 61 LYS HG+ 4.00 (# 1856:20 Unique 3.49, 4.28 A)
&rst
ixpk= 1856, nxpk= 20, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1014,1015,
&end
#
# 25 LYS HN 25 LYS HG+ 3.50 (# 1857:20 Unique 1.82, 3.07 A)
&rst
ixpk= 1857, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 391, 392,
&end
#
# 25 LYS HN 25 LYS HG- 4.00 (# 1858:20 Unique 1.82, 3.07 A)
&rst
ixpk= 1858, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 391, 392,
&end
#
# 81 GLU HN 80 VAL MGY 4.00 (# 1859:20 Unique 2.89, 4.55 A)
&rst
ixpk= 1859, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 69 ALA HN 80 VAL MGY 4.50 (# 1860:20 Unique 3.66, 5.81 A)
&rst
ixpk= 1860, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 67 GLY HN 80 VAL MGY 4.00 (# 1861:20 Unique 3.36, 4.96 A)
&rst
ixpk= 1861, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL HA 80 VAL MGY 3.00 (# 1862:20 Unique 2.03, 3.55 A)
&rst
ixpk= 1862, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 125 LYS HN 125 LYS HG+ 4.00 (# 1863:20 Unique 2.41, 3.50 A)
&rst
ixpk= 1863, nxpk= 20, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1983,1984,
&end
#
# 126 PHE HN 125 LYS HG+ 5.00 (# 1864:20 Unique 2.13, 4.90 A)
&rst
ixpk= 1864, nxpk= 20, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1983,1984,
&end
#
# 80 VAL HN 80 VAL MGY 4.00 (# 1865:20 Unique 2.42, 3.61 A)
&rst
ixpk= 1865, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 42 PHE HD 80 VAL MGY 6.00 (# 1866:20 Unique 4.87, 7.89 A)
&rst
ixpk= 1866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 680, 688,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 50 LYS HN 0 AMB 20-1:1867 5.00 (# 1867:20 Single 0.00, 0.00 )
&rst
ixpk= 1867, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 825, 826, 825, 826,
&end
#
# 76 LYS HN 75 LEU MDX 6.00 (# 1869:20 Unique 5.07, 6.06 A)
&rst
ixpk= 1869, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:1870 75 LEU MDX 5.00 (# 1870:20 Single 0.00, 0.00 )
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 406,1157,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 30 MET HN 75 LEU MDX 5.00 (# 1871:20 Unique 4.91, 7.15 A)
&rst
ixpk= 1871, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HN 75 LEU MDX 4.00 (# 1873:20 Unique 3.49, 4.88 A)
&rst
ixpk= 1873, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 45 MET HN 105 VAL MGY 4.00 (# 1874:20 Unique 4.19, 6.36 A)
&rst
ixpk= 1874, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 106 ASP HN 105 VAL MGY 3.00 (# 1875:20 Unique 2.61, 4.12 A)
&rst
ixpk= 1875, nxpk= 20, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 44 PHE HN 105 VAL MGY 6.00 (# 1876:20 Unique 6.33, 8.45 A)
&rst
ixpk= 1876, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 105 VAL HN 105 VAL MGY 4.00 (# 1877:20 Unique 2.34, 3.31 A)
&rst
ixpk= 1877, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:1880 105 VAL MGY 4.00 (# 1880:20 Single 0.00, 0.00 )
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 708, 745, 746,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 93 TYR HN 82 VAL MGY 6.50 (# 1882:20 Unique 2.29, 4.73 A)
&rst
ixpk= 1882, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:1883 82 VAL MGY 4.00 (# 1883:20 Single 0.00, 0.00 )
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1329,1059,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL HA 82 VAL MGY 3.00 (# 1885:20 Unique 2.16, 3.41 A)
&rst
ixpk= 1885, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL HA 82 VAL MGY 6.00 (# 1886:20 Unique 3.79, 5.32 A)
&rst
ixpk= 1886, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 65 VAL HN 82 VAL MGY 5.00 (# 1887:20 Unique 2.63, 5.15 A)
&rst
ixpk= 1887, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 66 LEU HN 82 VAL MGY 5.00 (# 1888:20 Unique 2.77, 5.50 A)
&rst
ixpk= 1888, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 67 GLY HN 82 VAL MGY 6.00 (# 1889:20 Unique 4.19, 7.09 A)
&rst
ixpk= 1889, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:1890 82 VAL MGY 8.00 (# 1890:20 Single 0.00, 0.00 )
&rst
ixpk= 1890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1=1476,1300,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HN 83 ALA MB 7.00 (# 1891:20 Unique 4.53, 5.47 A)
&rst
ixpk= 1891, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1349,1350,1351,
&end
#
# 0 AMB 20-2:1892 83 ALA MB 3.00 (# 1892:20 Single 0.00, 0.00 )
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1345,1355,
igr2=1349,1350,1351,
&end
#
# 82 VAL HA 83 ALA MB 4.00 (# 1893:20 Unique 4.20, 4.84 A)
&rst
ixpk= 1893, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1349,1350,1351,
&end
#
# 63 VAL HA 83 ALA MB 5.00 (# 1894:20 Unique 5.14, 5.83 A)
&rst
ixpk= 1894, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1349,1350,1351,
&end
#
# 83 ALA HA 83 ALA MB 3.00 (# 1895:20 Unique 2.29, 2.63 A)
&rst
ixpk= 1895, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1349,1350,1351,
&end
#
# 0 AMB 20-2:1896 78 MET ME 4.00 (# 1896:20 Single 0.00, 0.00 )
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1260,1226,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:1897 78 MET ME 4.00 (# 1897:20 Single 0.00, 0.00 )
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1277, 460,
igr2=1271,1272,1273,
&end
#
# 74 CYS HA 78 MET ME 5.00 (# 1900:20 Unique 3.11, 4.62 A)
&rst
ixpk= 1900, nxpk= 20, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1271,1272,1273,
&end
#
# 78 MET HA 78 MET ME 3.00 (# 1901:20 Unique 1.89, 2.93 A)
&rst
ixpk= 1901, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:1902 94 THR MG2 4.00 (# 1902:20 Single 0.00, 0.00 )
&rst
ixpk= 1902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1314,1495,
igr2=1501,1502,1503,
&end
#
# 94 THR HA 94 THR MG2 3.00 (# 1906:20 Unique 2.02, 2.85 A)
&rst
ixpk= 1906, nxpk= 20, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1501,1502,1503,
&end
#
# 80 VAL HN 94 THR MG2 4.00 (# 1907:20 Unique 3.05, 4.10 A)
&rst
ixpk= 1907, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1501,1502,1503,
&end
#
# 82 VAL HN 94 THR MG2 5.00 (# 1908:20 Unique 4.21, 5.40 A)
&rst
ixpk= 1908, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1501,1502,1503,
&end
#
# 69 ALA HN 94 THR MG2 5.00 (# 1909:20 Unique 3.54, 4.24 A)
&rst
ixpk= 1909, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1501,1502,1503,
&end
#
# 40 LEU HN 39 THR MG2 4.00 (# 1911:20 Unique 2.83, 3.94 A)
&rst
ixpk= 1911, nxpk= 20, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 630, 631, 632,
&end
#
# 112 ALA HN 39 THR MG2 4.00 (# 1912:20 Unique 3.65, 4.41 A)
&rst
ixpk= 1912, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 630, 631, 632,
&end
#
# 63 VAL HN 63 VAL MGY 4.00 (# 1914:20 Unique 2.19, 3.56 A)
&rst
ixpk= 1914, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HA 63 VAL MGY 3.50 (# 1915:20 Unique 1.97, 3.45 A)
&rst
ixpk= 1915, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:1916 63 VAL MGY 5.00 (# 1916:20 Single 0.00, 0.00 )
&rst
ixpk= 1916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 772,1074,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:1917 63 VAL MGY 4.00 (# 1917:20 Single 0.00, 0.00 )
&rst
ixpk= 1917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1345,1059,1355,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 85 ILE HN 63 VAL MGY 5.00 (# 1918:20 Unique 2.80, 4.96 A)
&rst
ixpk= 1918, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 48 TRP HE3 63 VAL MGY 3.00 (# 1920:20 Unique 1.84, 3.62 A)
&rst
ixpk= 1920, nxpk= 20, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 117 LEU HN 117 LEU MDY 4.00 (# 1921:20 Unique 1.94, 4.26 A)
&rst
ixpk= 1921, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:1922 117 LEU MDY 5.00 (# 1922:20 Single 0.00, 0.00 )
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1850,1914,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:1923 66 LEU MDX 4.00 (# 1923:20 Single 0.00, 0.00 )
&rst
ixpk= 1923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1345,1059,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 66 LEU HN 66 LEU MDX 4.00 (# 1924:20 Unique 1.94, 4.01 A)
&rst
ixpk= 1924, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 63 VAL HN 62 THR MG2 4.00 (# 1926:20 Unique 2.54, 3.72 A)
&rst
ixpk= 1926, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:1927 62 THR MG2 4.00 (# 1927:20 Single 0.00, 0.00 )
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 752, 745, 746,
igr2=1035,1036,1037,
&end
#
# 62 THR HA 62 THR MG2 3.00 (# 1928:20 Unique 2.34, 2.97 A)
&rst
ixpk= 1928, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:1929 62 THR MG2 5.00 (# 1929:20 Single 0.00, 0.00 )
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 772,1074,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:1930 62 THR MG2 4.00 (# 1930:20 Single 0.00, 0.00 )
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1029,1386,
igr2=1035,1036,1037,
&end
#
# 65 VAL HN 66 LEU MDX 6.00 (# 1931:20 Unique 4.57, 6.45 A)
&rst
ixpk= 1931, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 65 VAL HN 65 VAL MGY 4.00 (# 1932:20 Unique 1.92, 3.82 A)
&rst
ixpk= 1932, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 66 LEU HN 65 VAL MGY 4.00 (# 1933:20 Unique 2.23, 4.12 A)
&rst
ixpk= 1933, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 44 PHE HN 65 VAL MGY 4.50 (# 1934:20 Unique 1.67, 3.95 A)
&rst
ixpk= 1934, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 81 GLU HN 65 VAL MGY 6.00 (# 1935:20 Unique 3.62, 5.70 A)
&rst
ixpk= 1935, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 42 PHE HD 65 VAL MGY 4.00 (# 1936:20 Unique 1.96, 6.75 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 680, 688,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 67 GLY HN 65 VAL MGY 3.00 (# 1937:20 Unique 1.83, 3.80 A)
&rst
ixpk= 1937, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 82 VAL HA 65 VAL MGY 5.00 (# 1939:20 Unique 3.28, 5.30 A)
&rst
ixpk= 1939, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 10 ARG HN 9 THR MG2 4.20 (# 1940:20 Unique 2.45, 3.79 A)
&rst
ixpk= 1940, nxpk= 20, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 130, 131, 132,
&end
#
# 9 THR HN 9 THR MG2 4.00 (# 1942:20 Unique 2.56, 3.45 A)
&rst
ixpk= 1942, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 130, 131, 132,
&end
#
# 110 GLN HE2- 97 LEU MDX 7.00 (# 1943:20 Unique 5.73, 9.32 A)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1736,1737,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 44 PHE HE 97 LEU MDX 4.00 (# 1944:20 Unique 3.20, 5.71 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 716, 720,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 119 TRP HE1 120 LEU MDX 5.00 (# 1945:20 Unique 3.46, 5.94 A)
&rst
ixpk= 1945, nxpk= 20, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 121 ALA HN 120 LEU MDX 5.00 (# 1946:20 Unique 2.39, 4.72 A)
&rst
ixpk= 1946, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 119 TRP HD1 120 LEU MDX 4.10 (# 1947:20 Unique 3.91, 5.44 A)
&rst
ixpk= 1947, nxpk= 20, iat=1879, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 48 TRP HE1 95 ALA MB 6.50 (# 1950:20 Unique 4.99, 5.57 A)
&rst
ixpk= 1950, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1513,1514,1515,
&end
#
# 96 LYS HN 95 ALA MB 5.00 (# 1951:20 Unique 1.82, 2.47 A)
&rst
ixpk= 1951, nxpk= 20, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1513,1514,1515,
&end
#
# 94 THR HA 95 ALA MB 6.00 (# 1953:20 Unique 4.39, 5.02 A)
&rst
ixpk= 1953, nxpk= 20, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1513,1514,1515,
&end
#
# 58 ILE HN 57 THR MG2 5.50 (# 1955:20 Unique 2.84, 4.11 A)
&rst
ixpk= 1955, nxpk= 20, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 950, 951, 952,
&end
#
# 120 LEU HN 120 LEU MDX 4.00 (# 1956:20 Unique 3.70, 5.14 A)
&rst
ixpk= 1956, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 17 GLU HN 16 THR MG2 6.00 (# 1958:20 Unique 4.55, 5.19 A)
&rst
ixpk= 1958, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 258, 259, 260,
&end
#
# 16 THR HN 16 THR MG2 3.00 (# 1959:20 Unique 2.06, 3.08 A)
&rst
ixpk= 1959, nxpk= 20, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 258, 259, 260,
&end
#
# 0 AMB 20-2:1960 92 VAL MGY 5.00 (# 1960:20 Single 0.00, 0.00 )
&rst
ixpk= 1960, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1495,1314,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 93 TYR HN 92 VAL MGY 6.00 (# 1961:20 Unique 2.31, 4.33 A)
&rst
ixpk= 1961, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 82 VAL HN 92 VAL MGY 3.00 (# 1962:20 Unique 2.94, 5.40 A)
&rst
ixpk= 1962, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 83 ALA HA 92 VAL MGY 4.00 (# 1963:20 Unique 2.27, 4.71 A)
&rst
ixpk= 1963, nxpk= 20, iat=1347, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 0 AMB 20-2:1964 92 VAL MGY 6.00 (# 1964:20 Single 0.00, 0.00 )
&rst
ixpk= 1964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1316,1476,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 0 AMB 20-2:1965 109 THR MG2 4.00 (# 1965:20 Single 0.00, 0.00 )
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1674,1741,
igr2=1716,1717,1718,
&end
#
# 110 GLN HN 109 THR MG2 4.00 (# 1966:20 Unique 2.57, 3.68 A)
&rst
ixpk= 1966, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 0 AMB 20-2:1967 4 VAL MGY 5.50 (# 1967:20 Single 0.00, 0.00 )
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 58,1871,1914,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 122 ARG HN 4 VAL MGY 5.00 (# 1968:20 Unique 2.74, 4.67 A)
&rst
ixpk= 1968, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HN 4 VAL MGY 4.00 (# 1969:20 Unique 1.94, 3.75 A)
&rst
ixpk= 1969, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 21 ASP HN 20 VAL MGY 3.00 (# 1970:20 Unique 1.82, 3.82 A)
&rst
ixpk= 1970, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 17 GLU HN 20 VAL MGY 7.00 (# 1971:20 Unique 2.72, 5.44 A)
&rst
ixpk= 1971, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HN 20 VAL MGY 4.50 (# 1972:20 Unique 2.61, 4.20 A)
&rst
ixpk= 1972, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 44 PHE HE 102 ALA MB 3.00 (# 1973:20 Unique 2.39, 5.53 A)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 716, 720,
igr2=1621,1622,1623,
&end
#
# 46 GLY HA- 102 ALA MB 5.00 (# 1974:20 Unique 4.43, 5.38 A)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 745, 746,
igr2=1621,1622,1623,
&end
#
# 92 VAL HN 92 VAL MGX 3.00 (# 1975:20 Unique 2.20, 3.71 A)
&rst
ixpk= 1975, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 102 ALA HN 102 ALA MB 3.00 (# 1976:20 Unique 2.26, 2.98 A)
&rst
ixpk= 1976, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:1977 102 ALA MB 3.50 (# 1977:20 Single 0.00, 0.00 )
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1627,1646,
igr2=1621,1622,1623,
&end
#
# 44 PHE HD 102 ALA MB 4.00 (# 1978:20 Unique 2.66, 5.85 A)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 714, 722,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:1980 65 VAL MGX 5.00 (# 1980:20 Single 0.00, 0.00 )
&rst
ixpk= 1980, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1329,1059,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 65 VAL HN 65 VAL MGX 3.00 (# 1982:20 Unique 1.92, 3.82 A)
&rst
ixpk= 1982, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 46 GLY HN 65 VAL MGX 4.00 (# 1983:20 Unique 3.93, 6.26 A)
&rst
ixpk= 1983, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 66 LEU HN 65 VAL MGX 5.00 (# 1984:20 Unique 2.23, 4.12 A)
&rst
ixpk= 1984, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 44 PHE HN 65 VAL MGX 4.50 (# 1985:20 Unique 1.67, 3.95 A)
&rst
ixpk= 1985, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:1986 65 VAL MGX 4.00 (# 1986:20 Single 0.00, 0.00 )
&rst
ixpk= 1986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 680, 688, 714, 722,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 0 AMB 20-2:1987 65 VAL MGX 3.00 (# 1987:20 Single 0.00, 0.00 )
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 682, 686, 716, 720,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 45 MET HA 65 VAL MGX 4.00 (# 1989:20 Unique 3.74, 5.69 A)
&rst
ixpk= 1989, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 46 GLY HA- 65 VAL MGX 4.00 (# 1990:20 Unique 3.70, 6.96 A)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 745, 746,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 28 ARG HN 22 ALA MB 3.00 (# 1992:20 Unique 3.32, 4.30 A)
&rst
ixpk= 1992, nxpk= 20, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 31 GLY HN 22 ALA MB 4.00 (# 1993:20 Unique 3.05, 3.58 A)
&rst
ixpk= 1993, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 351, 352, 353,
&end
#
# 22 ALA HN 22 ALA MB 3.00 (# 1994:20 Unique 2.07, 2.88 A)
&rst
ixpk= 1994, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 23 GLU HN 22 ALA MB 3.00 (# 1995:20 Unique 3.74, 4.19 A)
&rst
ixpk= 1995, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 351, 352, 353,
&end
#
# 0 AMB 20-2:1996 20 VAL MGX 5.00 (# 1996:20 Single 0.00, 0.00 )
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 347, 252,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 21 ASP HN 20 VAL MGX 3.00 (# 1997:20 Unique 1.82, 3.82 A)
&rst
ixpk= 1997, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 20 VAL HN 20 VAL MGX 3.00 (# 1998:20 Unique 2.61, 4.20 A)
&rst
ixpk= 1998, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 4 VAL HN 2 ALA MB 4.00 (# 1999:20 Unique 2.68, 4.24 A)
&rst
ixpk= 1999, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:2000 2 ALA MB 4.00 (# 2000:20 Single 0.00, 0.00 )
&rst
ixpk= 2000, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 31, 21,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:2001 4 VAL MGX 5.00 (# 2001:20 Single 0.00, 0.00 )
&rst
ixpk= 2001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 58,1871,1914,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HN 4 VAL MGX 3.00 (# 2002:20 Unique 1.94, 3.75 A)
&rst
ixpk= 2002, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 118 TYR HE 4 VAL MGX 4.00 (# 2003:20 Unique 3.81, 7.32 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1860,1865,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 82 VAL HA 82 VAL MGX 4.00 (# 2005:20 Unique 2.16, 3.41 A)
&rst
ixpk= 2005, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2006 30 MET ME 5.00 (# 2006:20 Single 0.00, 0.00 )
&rst
ixpk= 2006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1226, 539,
igr2= 481, 482, 483,
&end
#
# 33 TYR HN 30 MET ME 6.00 (# 2007:20 Unique 4.88, 5.96 A)
&rst
ixpk= 2007, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 481, 482, 483,
&end
#
# 30 MET HN 30 MET ME 4.00 (# 2009:20 Unique 2.31, 3.27 A)
&rst
ixpk= 2009, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 481, 482, 483,
&end
#
# 0 AMB 20-2:2010 30 MET ME 5.00 (# 2010:20 Single 0.00, 0.00 )
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1196, 547, 556,
igr2= 481, 482, 483,
&end
#
# 75 LEU HN 30 MET ME 5.00 (# 2011:20 Unique 1.96, 5.06 A)
&rst
ixpk= 2011, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 481, 482, 483,
&end
#
# 0 AMB 20-2:2012 30 MET ME 5.00 (# 2012:20 Single 0.00, 0.00 )
&rst
ixpk= 2012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 549, 554, 528, 533,
igr2= 481, 482, 483,
&end
#
# 0 AMB 20-2:2013 82 VAL MGX 3.00 (# 2013:20 Single 0.00, 0.00 )
&rst
ixpk= 2013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1329,1059,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2014 82 VAL MGX 5.00 (# 2014:20 Single 0.00, 0.00 )
&rst
ixpk= 2014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1314,1495,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HD 82 VAL MGX 7.00 (# 2015:20 Unique 1.97, 6.26 A)
&rst
ixpk= 2015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1482,1491,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HN 82 VAL MGX 6.00 (# 2017:20 Unique 2.29, 4.73 A)
&rst
ixpk= 2017, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2018 82 VAL MGX 4.00 (# 2018:20 Single 0.00, 0.00 )
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1347,1497,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2019 82 VAL MGX 6.50 (# 2019:20 Single 0.00, 0.00 )
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1316,1476,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 19 ILE HN 19 ILE QG2 4.00 (# 2022:20 Unique 2.69, 3.95 A)
&rst
ixpk= 2022, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 306, 307, 308,
&end
#
# 0 AMB 20-2:2023 19 ILE QG2 5.00 (# 2023:20 Single 0.00, 0.00 )
&rst
ixpk= 2023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 347, 372,
igr2= 306, 307, 308,
&end
#
# 32 TRP HN 19 ILE QG2 4.00 (# 2024:20 Unique 1.93, 3.21 A)
&rst
ixpk= 2024, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 306, 307, 308,
&end
#
# 18 ILE HN 19 ILE QG2 6.50 (# 2025:20 Unique 4.89, 6.23 A)
&rst
ixpk= 2025, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 306, 307, 308,
&end
#
# 20 VAL HN 19 ILE QG2 5.00 (# 2026:20 Unique 4.53, 5.02 A)
&rst
ixpk= 2026, nxpk= 20, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 306, 307, 308,
&end
#
# 32 TRP HE1 19 ILE QG2 5.00 (# 2027:20 Unique 2.64, 4.14 A)
&rst
ixpk= 2027, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 306, 307, 308,
&end
#
# 121 ALA HN 121 ALA MB 3.00 (# 2030:20 Unique 2.26, 2.89 A)
&rst
ixpk= 2030, nxpk= 20, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 123 GLY HN 121 ALA MB 5.00 (# 2031:20 Unique 4.59, 5.17 A)
&rst
ixpk= 2031, nxpk= 20, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1918,1919,1920,
&end
#
# 14 ILE HN 14 ILE QG2 4.00 (# 2033:20 Unique 3.14, 4.10 A)
&rst
ixpk= 2033, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 224, 225, 226,
&end
#
# 15 GLU HN 14 ILE QG2 3.00 (# 2034:20 Unique 2.16, 3.46 A)
&rst
ixpk= 2034, nxpk= 20, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 224, 225, 226,
&end
#
# 19 ILE HN 14 ILE QG2 4.00 (# 2035:20 Unique 3.91, 5.91 A)
&rst
ixpk= 2035, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 224, 225, 226,
&end
#
# 18 ILE HN 14 ILE QG2 7.00 (# 2038:20 Unique 4.01, 5.44 A)
&rst
ixpk= 2038, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 224, 225, 226,
&end
#
# 32 TRP HE1 14 ILE QG2 5.00 (# 2039:20 Unique 2.17, 4.33 A)
&rst
ixpk= 2039, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 224, 225, 226,
&end
#
# 29 ALA HN 29 ALA MB 3.00 (# 2040:20 Unique 2.07, 2.88 A)
&rst
ixpk= 2040, nxpk= 20, iat= 460, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 464, 465, 466,
&end
#
# 32 TRP HN 29 ALA MB 5.00 (# 2041:20 Unique 5.63, 6.05 A)
&rst
ixpk= 2041, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:2043 29 ALA MB 4.00 (# 2043:20 Single 0.00, 0.00 )
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 436, 406,
igr2= 464, 465, 466,
&end
#
# 0 AMB 20-2:2044 105 VAL MGX 5.00 (# 2044:20 Single 0.00, 0.00 )
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1627,1646,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 106 ASP HN 105 VAL MGX 4.00 (# 2045:20 Unique 2.61, 4.12 A)
&rst
ixpk= 2045, nxpk= 20, iat=1674, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 110 GLN HN 105 VAL MGX 4.00 (# 2046:20 Unique 2.60, 4.40 A)
&rst
ixpk= 2046, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 105 VAL HN 105 VAL MGX 3.00 (# 2047:20 Unique 2.34, 3.31 A)
&rst
ixpk= 2047, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 112 ALA HN 112 ALA MB 3.00 (# 2048:20 Unique 2.06, 2.88 A)
&rst
ixpk= 2048, nxpk= 20, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1760,1761,1762,
&end
#
# 80 VAL HN 80 VAL MGX 3.00 (# 2052:20 Unique 2.42, 3.61 A)
&rst
ixpk= 2052, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL HA 80 VAL MGX 4.00 (# 2053:20 Unique 2.03, 3.55 A)
&rst
ixpk= 2053, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 81 GLU HN 80 VAL MGX 5.00 (# 2054:20 Unique 2.89, 4.55 A)
&rst
ixpk= 2054, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 114 ALA HN 114 ALA MB 3.00 (# 2057:20 Unique 2.07, 2.88 A)
&rst
ixpk= 2057, nxpk= 20, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1789,1790,1791,
&end
#
# 113 ILE HN 114 ALA MB 5.00 (# 2058:20 Unique 4.69, 5.65 A)
&rst
ixpk= 2058, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1789,1790,1791,
&end
#
# 64 GLU HN 85 ILE QG2 5.20 (# 2059:20 Unique 2.47, 3.82 A)
&rst
ixpk= 2059, nxpk= 20, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1373,1374,1375,
&end
#
# 63 VAL HA 85 ILE QG2 5.00 (# 2060:20 Unique 2.89, 3.98 A)
&rst
ixpk= 2060, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1373,1374,1375,
&end
#
# 81 GLU HN 69 ALA MB 5.00 (# 2061:20 Unique 3.59, 5.35 A)
&rst
ixpk= 2061, nxpk= 20, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1137,1138,1139,
&end
#
# 69 ALA HN 69 ALA MB 3.00 (# 2062:20 Unique 2.08, 2.92 A)
&rst
ixpk= 2062, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1137,1138,1139,
&end
#
# 79 TYR HN 69 ALA MB 5.00 (# 2063:20 Unique 3.24, 5.76 A)
&rst
ixpk= 2063, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1137,1138,1139,
&end
#
# 80 VAL HA 69 ALA MB 4.00 (# 2065:20 Unique 3.07, 4.81 A)
&rst
ixpk= 2065, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:2066 58 ILE QG2 5.50 (# 2066:20 Single 0.00, 0.00 )
&rst
ixpk= 2066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 977, 862,
igr2= 964, 965, 966,
&end
#
# 50 LYS HN 58 ILE QG2 4.00 (# 2067:20 Unique 2.73, 4.17 A)
&rst
ixpk= 2067, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 964, 965, 966,
&end
#
# 0 AMB 20-2:2069 63 VAL MGX 4.00 (# 2069:20 Single 0.00, 0.00 )
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 772,1074,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HN 63 VAL MGX 3.00 (# 2070:20 Unique 2.19, 3.56 A)
&rst
ixpk= 2070, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2071 63 VAL MGX 3.00 (# 2071:20 Single 0.00, 0.00 )
&rst
ixpk= 2071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1345,1059,1355,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HA 63 VAL MGX 3.00 (# 2072:20 Unique 1.97, 3.45 A)
&rst
ixpk= 2072, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 93 TYR HD 63 VAL MGX 7.00 (# 2073:20 Unique 2.74, 6.63 A)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1482,1491,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL HA 63 VAL MGX 5.00 (# 2074:20 Unique 4.15, 5.97 A)
&rst
ixpk= 2074, nxpk= 20, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 80 VAL HN 69 ALA MB 5.00 (# 2075:20 Unique 3.71, 5.70 A)
&rst
ixpk= 2075, nxpk= 20, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1137,1138,1139,
&end
#
# 61 LYS HN 58 ILE QG2 6.00 (# 2076:20 Unique 5.42, 6.47 A)
&rst
ixpk= 2076, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 964, 965, 966,
&end
#
# 117 LEU HN 113 ILE QG2 5.00 (# 2077:20 Unique 4.00, 5.01 A)
&rst
ixpk= 2077, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1772,1773,1774,
&end
#
# 114 ALA HN 113 ILE QG2 4.00 (# 2078:20 Unique 2.66, 3.81 A)
&rst
ixpk= 2078, nxpk= 20, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1772,1773,1774,
&end
#
# 0 AMB 20-2:2079 113 ILE QG2 4.00 (# 2079:20 Single 0.00, 0.00 )
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1583,1766,
igr2=1772,1773,1774,
&end
#
# 104 ASP HN 103 ILE QG2 3.00 (# 2080:20 Unique 1.92, 3.49 A)
&rst
ixpk= 2080, nxpk= 20, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:2082 103 ILE QG2 5.50 (# 2082:20 Single 0.00, 0.00 )
&rst
ixpk= 2082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 745, 746, 752,
igr2=1633,1634,1635,
&end
#
# 0 AMB 20-2:2083 103 ILE QG2 5.20 (# 2083:20 Single 0.00, 0.00 )
&rst
ixpk= 2083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 750,1617,
igr2=1633,1634,1635,
&end
#
# 101 GLU HN 100 ILE QG2 3.00 (# 2084:20 Unique 2.41, 3.52 A)
&rst
ixpk= 2084, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1589,1590,1591,
&end
#
# 100 ILE HN 100 ILE QG2 4.00 (# 2085:20 Unique 2.62, 3.79 A)
&rst
ixpk= 2085, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1589,1590,1591,
&end
#
# 44 PHE HE 100 ILE QG2 4.00 (# 2087:20 Unique 3.08, 4.97 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 716, 720,
igr2=1589,1590,1591,
&end
#
# 100 ILE HA 100 ILE QG2 3.00 (# 2088:20 Unique 3.35, 3.78 A)
&rst
ixpk= 2088, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1589,1590,1591,
&end
#
# 0 AMB 20-2:2094 68 MET ME 5.00 (# 2094:20 Single 0.00, 0.00 )
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 581,1260, 539,
igr2=1127,1128,1129,
&end
#
# 37 ASP HN 68 MET ME 5.00 (# 2095:20 Unique 3.08, 5.15 A)
&rst
ixpk= 2095, nxpk= 20, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1127,1128,1129,
&end
#
# 69 ALA HN 68 MET ME 4.00 (# 2096:20 Unique 2.98, 4.54 A)
&rst
ixpk= 2096, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1127,1128,1129,
&end
#
# 79 TYR HN 68 MET ME 4.00 (# 2097:20 Unique 1.80, 3.14 A)
&rst
ixpk= 2097, nxpk= 20, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1127,1128,1129,
&end
#
# 78 MET HA 68 MET ME 4.00 (# 2099:20 Unique 2.34, 3.79 A)
&rst
ixpk= 2099, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1127,1128,1129,
&end
#
# 14 ILE HN 14 ILE QD1 4.00 (# 2101:20 Unique 3.66, 5.08 A)
&rst
ixpk= 2101, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 231, 232, 233,
&end
#
# 32 TRP HD1 14 ILE QD1 7.00 (# 2104:20 Unique 6.17, 7.62 A)
&rst
ixpk= 2104, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 231, 232, 233,
&end
#
# 102 ALA HN 113 ILE QD1 5.00 (# 2108:20 Unique 3.48, 4.73 A)
&rst
ixpk= 2108, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1779,1780,1781,
&end
#
# 113 ILE HN 113 ILE QD1 4.00 (# 2109:20 Unique 2.49, 3.51 A)
&rst
ixpk= 2109, nxpk= 20, iat=1766, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1779,1780,1781,
&end
#
# 32 TRP HN 18 ILE QG2 5.50 (# 2112:20 Unique 3.07, 3.92 A)
&rst
ixpk= 2112, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 287, 288, 289,
&end
#
# 18 ILE HN 18 ILE QG2 6.00 (# 2113:20 Unique 4.15, 4.53 A)
&rst
ixpk= 2113, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 287, 288, 289,
&end
#
# 19 ILE HN 18 ILE QG2 6.00 (# 2114:20 Unique 2.49, 3.81 A)
&rst
ixpk= 2114, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 287, 288, 289,
&end
#
# 46 GLY HN 103 ILE QD1 4.00 (# 2115:20 Unique 3.53, 5.38 A)
&rst
ixpk= 2115, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1640,1641,1642,
&end
#
# 103 ILE HN 103 ILE QD1 4.00 (# 2116:20 Unique 2.23, 3.59 A)
&rst
ixpk= 2116, nxpk= 20, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1640,1641,1642,
&end
#
# 45 MET HA 103 ILE QD1 6.00 (# 2117:20 Unique 4.69, 6.89 A)
&rst
ixpk= 2117, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1640,1641,1642,
&end
#
# 0 AMB 20-2:2118 103 ILE QD1 4.00 (# 2118:20 Single 0.00, 0.00 )
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 745, 746, 752,
igr2=1640,1641,1642,
&end
#
# 47 LYS HN 103 ILE QD1 3.50 (# 2119:20 Unique 1.99, 2.70 A)
&rst
ixpk= 2119, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1640,1641,1642,
&end
#
# 19 ILE HN 18 ILE QD1 6.00 (# 2120:20 Unique 4.32, 5.46 A)
&rst
ixpk= 2120, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 294, 295, 296,
&end
#
# 18 ILE HN 18 ILE QD1 6.00 (# 2122:20 Unique 4.16, 4.81 A)
&rst
ixpk= 2122, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 294, 295, 296,
&end
#
# 19 ILE HN 19 ILE QD1 3.70 (# 2123:20 Unique 1.89, 3.12 A)
&rst
ixpk= 2123, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 313, 314, 315,
&end
#
# 32 TRP HE1 19 ILE QD1 3.50 (# 2126:20 Unique 1.93, 2.99 A)
&rst
ixpk= 2126, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 313, 314, 315,
&end
#
# 59 GLU HN 58 ILE QD1 4.00 (# 2128:20 Unique 3.31, 4.76 A)
&rst
ixpk= 2128, nxpk= 20, iat= 977, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 971, 972, 973,
&end
#
# 100 ILE HN 100 ILE QD1 5.00 (# 2129:20 Unique 4.14, 5.64 A)
&rst
ixpk= 2129, nxpk= 20, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1596,1597,1598,
&end
#
# 48 TRP HA 100 ILE QD1 4.00 (# 2130:20 Unique 1.89, 3.83 A)
&rst
ixpk= 2130, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1596,1597,1598,
&end
#
# 101 GLU HN 100 ILE QD1 5.00 (# 2131:20 Unique 2.18, 4.23 A)
&rst
ixpk= 2131, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1596,1597,1598,
&end
#
# 100 ILE HA 100 ILE QD1 3.00 (# 2132:20 Unique 2.34, 3.97 A)
&rst
ixpk= 2132, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1596,1597,1598,
&end
#
# 112 ALA MB 39 THR HB 4.00 (# 2133:20 Unique 3.06, 3.83 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1760,1761,1762,
&end
#
# 83 ALA MB 92 VAL HA 4.00 (# 2134:20 Unique 3.10, 3.97 A)
&rst
ixpk= 2134, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1349,1350,1351,
&end
#
# 92 VAL HB 92 VAL HA 3.00 (# 2135:20 Unique 2.23, 2.39 A)
&rst
ixpk= 2135, nxpk= 20, iat=1462,1460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2136 92 VAL HA 3.00 (# 2136:20 Single 0.00, 0.00 )
&rst
ixpk= 2136, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 93 TYR HB- 92 VAL HA 7.00 (# 2137:20 Unique 4.87, 5.26 A)
&rst
ixpk= 2137, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1478,1479,
&end
#
# 83 ALA HA 92 VAL HA 2.80 (# 2138:20 Unique 1.87, 1.99 A)
&rst
ixpk= 2138, nxpk= 20, iat=1347,1460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 VAL HN 92 VAL HA 3.50 (# 2139:20 Unique 2.93, 2.94 A)
&rst
ixpk= 2139, nxpk= 20, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 93 TYR HN 92 VAL HA 4.80 (# 2140:20 Unique 2.16, 2.18 A)
&rst
ixpk= 2140, nxpk= 20, iat=1474,1460, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 0 AMB 20-2:2141 92 VAL HA 5.00 (# 2141:20 Single 0.00, 0.00 )
&rst
ixpk= 2141, nxpk= 20, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1329,1059,
&end
#
# 90 ASP HB+ 90 ASP HA 3.00 (# 2143:20 Unique 2.47, 2.77 A)
&rst
ixpk= 2143, nxpk= 20, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1438,1439,
&end
#
# 91 ASP HN 90 ASP HA 3.80 (# 2145:20 Unique 3.31, 3.38 A)
&rst
ixpk= 2145, nxpk= 20, iat=1446,1436, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 90 ASP HN 90 ASP HA 3.00 (# 2146:20 Unique 2.83, 2.88 A)
&rst
ixpk= 2146, nxpk= 20, iat=1434,1436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 93 TYR HN 83 ALA HA 5.00 (# 2147:20 Unique 2.88, 3.25 A)
&rst
ixpk= 2147, nxpk= 20, iat=1474,1347, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2148 83 ALA HA 2.80 (# 2148:20 Single 0.00, 0.00 )
&rst
ixpk= 2148, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1355,1345,
&end
#
# 70 PRO HB+ 70 PRO HD+ 4.50 (# 2149:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1150,1151,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:2150 100 ILE QD1 5.00 (# 2150:20 Single 0.00, 0.00 )
&rst
ixpk= 2150, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 796,1007,
igr2=1596,1597,1598,
&end
#
# 100 ILE HB 100 ILE QD1 4.00 (# 2152:20 Unique 2.06, 3.20 A)
&rst
ixpk= 2152, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1596,1597,1598,
&end
#
# 35 TYR HN 18 ILE QG2 7.00 (# 2153:20 Unique 4.30, 5.28 A)
&rst
ixpk= 2153, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 287, 288, 289,
&end
#
# 32 TRP HZ2 18 ILE QG2 7.00 (# 2154:20 Unique 4.09, 5.40 A)
&rst
ixpk= 2154, nxpk= 20, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 287, 288, 289,
&end
#
# 79 TYR HN 78 MET HA 2.80 (# 2155:20 Unique 2.14, 2.18 A)
&rst
ixpk= 2155, nxpk= 20, iat=1277,1262, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2156 78 MET HA 4.00 (# 2156:20 Single 0.00, 0.00 )
&rst
ixpk= 2156, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1200,1201,1281,1282,
&end
#
# 78 MET ME 78 MET HA 3.50 (# 2157:20 Unique 1.89, 2.93 A)
&rst
ixpk= 2157, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1271,1272,1273,
&end
#
# 78 MET HB- 78 MET HA 3.50 (# 2158:20 Unique 2.23, 2.71 A)
&rst
ixpk= 2158, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1264,1265,
&end
#
# 8 GLU HN 7 ASP HA 3.50 (# 2159:20 Unique 2.44, 2.81 A)
&rst
ixpk= 2159, nxpk= 20, iat= 109, 99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2161 7 ASP HA 3.00 (# 2161:20 Single 0.00, 0.00 )
&rst
ixpk= 2161, nxpk= 20, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 101, 102, 101, 102, 116, 117,
&end
#
# 61 LYS HN 60 GLU HA 2.80 (# 2163:20 Unique 2.14, 2.17 A)
&rst
ixpk= 2163, nxpk= 20, iat=1007, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LYS HN 60 GLU HA 3.80 (# 2164:20 Unique 2.82, 3.12 A)
&rst
ixpk= 2164, nxpk= 20, iat= 818, 994, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 60 GLU HN 60 GLU HA 3.50 (# 2165:20 Unique 2.84, 2.86 A)
&rst
ixpk= 2165, nxpk= 20, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 GLU HB+ 60 GLU HA 3.00 (# 2166:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 996, 997,
&end
#
# 0 AMB 20-2:2167 0 AMB 20-1:2167 5.00 (# 2167:20 Double 0.00, 0.00 )
&rst
ixpk= 2167, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2002,2003,1478,1479,
igr2=1228,1476,
&end
#
# 93 TYR HB- 93 TYR HA 5.00 (# 2168:20 Unique 2.23, 2.63 A)
&rst
ixpk= 2168, nxpk= 20, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1478,1479,
&end
#
# 76 LYS HB+ 76 LYS HA 3.00 (# 2169:20 Unique 2.27, 2.61 A)
&rst
ixpk= 2169, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1230,1231,
&end
#
# 76 LYS HB- 76 LYS HA 3.00 (# 2170:20 Unique 2.27, 2.61 A)
&rst
ixpk= 2170, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1230,1231,
&end
#
# 76 LYS HG+ 76 LYS HA 3.00 (# 2171:20 Unique 2.59, 3.32 A)
&rst
ixpk= 2171, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1233,1234,
&end
#
# 93 TYR HD 93 TYR HA 5.50 (# 2172:20 Unique 2.30, 3.72 A)
&rst
ixpk= 2172, nxpk= 20, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1482,1491,
&end
#
# 93 TYR HN 93 TYR HA 4.50 (# 2174:20 Unique 2.94, 2.95 A)
&rst
ixpk= 2174, nxpk= 20, iat=1474,1476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 LYS HN 76 LYS HA 3.50 (# 2175:20 Unique 2.80, 2.88 A)
&rst
ixpk= 2175, nxpk= 20, iat=1226,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 THR HN 93 TYR HA 4.50 (# 2176:20 Unique 2.21, 2.45 A)
&rst
ixpk= 2176, nxpk= 20, iat=1495,1476, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ASP HB- 84 ASP HA 3.00 (# 2177:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2177, nxpk= 20, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1359,1360,
&end
#
# 85 ILE HN 84 ASP HA 2.80 (# 2178:20 Unique 2.18, 2.20 A)
&rst
ixpk= 2178, nxpk= 20, iat=1367,1357, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 GLU HN 84 ASP HA 4.00 (# 2179:20 Unique 4.17, 4.43 A)
&rst
ixpk= 2179, nxpk= 20, iat=1059,1357, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2180 57 THR HB 5.00 (# 2180:20 Single 0.00, 0.00 )
&rst
ixpk= 2180, nxpk= 20, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 946, 923,
&end
#
# 81 GLU HN 80 VAL HA 2.80 (# 2181:20 Unique 2.19, 2.27 A)
&rst
ixpk= 2181, nxpk= 20, iat=1314,1300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 ALA HN 80 VAL HA 3.00 (# 2182:20 Unique 1.89, 2.72 A)
&rst
ixpk= 2182, nxpk= 20, iat=1133,1300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 VAL MGY 80 VAL HA 3.00 (# 2183:20 Unique 2.03, 3.55 A)
&rst
ixpk= 2183, nxpk= 20, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 80 VAL HB 80 VAL HA 3.00 (# 2184:20 Unique 2.26, 2.35 A)
&rst
ixpk= 2184, nxpk= 20, iat=1302,1300, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 PHE HN 43 PRO HA 5.00 (# 2186:20 Unique 4.51, 4.64 A)
&rst
ixpk= 2186, nxpk= 20, iat= 672, 702, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 94 THR HN 94 THR HA 3.50 (# 2187:20 Unique 2.93, 2.95 A)
&rst
ixpk= 2187, nxpk= 20, iat=1495,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 VAL HN 94 THR HA 3.80 (# 2188:20 Unique 2.97, 3.20 A)
&rst
ixpk= 2188, nxpk= 20, iat=1329,1497, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 95 ALA HN 94 THR HA 4.00 (# 2189:20 Unique 2.14, 2.15 A)
&rst
ixpk= 2189, nxpk= 20, iat=1509,1497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 81 GLU HA 94 THR HA 3.00 (# 2191:20 Unique 2.15, 2.52 A)
&rst
ixpk= 2191, nxpk= 20, iat=1316,1497, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 ILE HG1- 19 ILE QD1 3.00 (# 2192:20 Unique 2.21, 2.62 A)
&rst
ixpk= 2192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 310, 311,
igr2= 313, 314, 315,
&end
#
# 43 PRO HB- 43 PRO HD+ 4.00 (# 2193:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 43 PRO HA 43 PRO HD- 4.50 (# 2194:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2194, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 693, 694,
&end
#
# 25 LYS HN 24 ASP HA 3.00 (# 2195:20 Unique 2.30, 2.36 A)
&rst
ixpk= 2195, nxpk= 20, iat= 384, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASP HN 24 ASP HA 3.00 (# 2196:20 Unique 2.89, 2.89 A)
&rst
ixpk= 2196, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 ASP HB+ 24 ASP HA 3.00 (# 2197:20 Unique 2.36, 2.83 A)
&rst
ixpk= 2197, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 376, 377,
&end
#
# 24 ASP HB- 24 ASP HA 3.00 (# 2198:20 Unique 2.36, 2.83 A)
&rst
ixpk= 2198, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 376, 377,
&end
#
# 0 AMB 20-2:2199 24 ASP HA 5.00 (# 2199:20 Single 0.00, 0.00 )
&rst
ixpk= 2199, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 361, 362, 425, 426,
&end
#
# 0 AMB 20-2:2200 24 ASP HA 5.00 (# 2200:20 Single 0.00, 0.00 )
&rst
ixpk= 2200, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 361, 362, 388, 389,
&end
#
# 115 ASP HN 112 ALA HA 4.00 (# 2204:20 Unique 3.54, 3.89 A)
&rst
ixpk= 2204, nxpk= 20, iat=1795,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ALA MB 112 ALA HA 3.00 (# 2205:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2205, nxpk= 20, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1760,1761,1762,
&end
#
# 0 AMB 20-2:2206 0 AMB 20-1:2206 5.00 (# 2206:20 Double 0.00, 0.00 )
&rst
ixpk= 2206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,1373,
1374,1375,
igr2=1758,1424,
&end
#
# 0 AMB 20-2:2207 0 AMB 20-1:2207 6.00 (# 2207:20 Double 0.00, 0.00 )
&rst
ixpk= 2207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
igr1=1776,1777,1464,1465,1466,1468,1469,1470,1464,1465,
1466,1468,1469,1470,
igr2=1758,1424,
&end
#
# 124 TYR HB+ 124 TYR HA 3.00 (# 2208:20 Unique 2.27, 2.50 A)
&rst
ixpk= 2208, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1959,1960,
&end
#
# 0 AMB 20-2:2209 2 ALA MB 4.00 (# 2209:20 Single 0.00, 0.00 )
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 33, 6,
igr2= 25, 26, 27,
&end
#
# 3 SER HA 3 SER HB- 3.00 (# 2210:20 Unique 2.32, 2.62 A)
&rst
ixpk= 2210, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 35, 36,
&end
#
# 0 AMB 20-2:2211 0 AMB 20-1:2211 7.00 (# 2211:20 Double 0.00, 0.00 )
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 981, 982, 844, 845,
igr2= 866, 867, 866, 867,
&end
#
# 4 VAL HB 4 VAL HA 3.00 (# 2212:20 Unique 2.44, 2.87 A)
&rst
ixpk= 2212, nxpk= 20, iat= 46, 44, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 LYS HB+ 25 LYS HA 3.00 (# 2213:20 Unique 2.36, 2.45 A)
&rst
ixpk= 2213, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 388, 389,
&end
#
# 0 AMB 20-2:2215 20 VAL MGX 5.00 (# 2215:20 Single 0.00, 0.00 )
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 268, 337,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 93 TYR HN 92 VAL MGX 6.00 (# 2220:20 Unique 2.31, 4.33 A)
&rst
ixpk= 2220, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 82 VAL HN 92 VAL MGX 5.00 (# 2221:20 Unique 2.94, 5.40 A)
&rst
ixpk= 2221, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 0 AMB 20-2:2222 20 VAL MGY 5.00 (# 2222:20 Single 0.00, 0.00 )
&rst
ixpk= 2222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 268, 337,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 0 AMB 20-2:2223 20 VAL MGY 5.00 (# 2223:20 Single 0.00, 0.00 )
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 347, 252,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 84 ASP HA 63 VAL MGY 4.50 (# 2224:20 Unique 1.75, 4.20 A)
&rst
ixpk= 2224, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2226 105 VAL MGX 5.00 (# 2226:20 Single 0.00, 0.00 )
&rst
ixpk= 2226, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1629,1688,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:2228 80 VAL MGX 5.00 (# 2228:20 Single 0.00, 0.00 )
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1094,1095,1593,1594,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 82 VAL HB 80 VAL MGX 5.00 (# 2229:20 Unique 3.07, 6.04 A)
&rst
ixpk= 2229, nxpk= 20, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 79 TYR HA 80 VAL MGX 4.00 (# 2230:20 Unique 3.08, 4.69 A)
&rst
ixpk= 2230, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 95 ALA HN 80 VAL MGX 6.00 (# 2231:20 Unique 2.71, 4.84 A)
&rst
ixpk= 2231, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 66 LEU HN 82 VAL MGX 6.00 (# 2232:20 Unique 2.77, 5.50 A)
&rst
ixpk= 2232, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:2233 105 VAL MGY 4.00 (# 2233:20 Single 0.00, 0.00 )
&rst
ixpk= 2233, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1627,1646,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:2234 22 ALA MB 3.00 (# 2234:20 Single 0.00, 0.00 )
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 425, 426, 425, 426,
igr2= 351, 352, 353,
&end
#
# 102 ALA HA 102 ALA MB 3.00 (# 2235:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2235, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1621,1622,1623,
&end
#
# 32 TRP HB+ 29 ALA HA 3.00 (# 2236:20 Unique 2.57, 3.43 A)
&rst
ixpk= 2236, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 498, 499,
&end
#
# 92 VAL HA 83 ALA HA 2.80 (# 2237:20 Unique 1.87, 1.99 A)
&rst
ixpk= 2237, nxpk= 20, iat=1460,1347, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 95 ALA HN 95 ALA MB 5.50 (# 2238:20 Unique 3.14, 3.69 A)
&rst
ixpk= 2238, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1513,1514,1515,
&end
#
# 112 ALA HA 112 ALA MB 3.00 (# 2240:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2240, nxpk= 20, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1760,1761,1762,
&end
#
# 114 ALA HN 114 ALA HA 3.50 (# 2241:20 Unique 2.74, 2.77 A)
&rst
ixpk= 2241, nxpk= 20, iat=1785,1787, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ILE HN 85 ILE QG2 4.00 (# 2242:20 Unique 2.69, 3.41 A)
&rst
ixpk= 2242, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1373,1374,1375,
&end
#
# 0 AMB 20-2:2243 85 ILE QG2 4.00 (# 2243:20 Single 0.00, 0.00 )
&rst
ixpk= 2243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1388,1389,1092,
igr2=1373,1374,1375,
&end
#
# 0 AMB 20-2:2244 85 ILE QD1 4.00 (# 2244:20 Single 0.00, 0.00 )
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 737, 738, 739, 730, 731,
igr2=1380,1381,1382,
&end
#
# 36 LEU HN 36 LEU HA 3.50 (# 2245:20 Unique 2.79, 2.82 A)
&rst
ixpk= 2245, nxpk= 20, iat= 581, 583, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU MDX 75 LEU HB- 4.00 (# 2246:20 Unique 2.25, 3.28 A)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1216,1217,1218,1220,1221,1222,
igr2=1211,1212,
&end
#
# 117 LEU HA 120 LEU HB+ 4.00 (# 2247:20 Unique 2.22, 3.68 A)
&rst
ixpk= 2247, nxpk= 20, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1899,1900,
&end
#
# 0 AMB 20-2:2248 40 LEU HG 4.70 (# 2248:20 Single 0.00, 0.00 )
&rst
ixpk= 2248, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 657,1766,
&end
#
# 33 TYR HN 78 MET ME 4.00 (# 2249:20 Unique 1.86, 3.27 A)
&rst
ixpk= 2249, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1271,1272,1273,
&end
#
# 27 GLU HA 30 MET HB+ 4.00 (# 2250:20 Unique 2.20, 3.27 A)
&rst
ixpk= 2250, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 474, 475,
&end
#
# 27 GLU HA 30 MET HB- 4.70 (# 2251:20 Unique 2.20, 3.27 A)
&rst
ixpk= 2251, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 474, 475,
&end
#
# 10 ARG HN 9 THR HA 4.00 (# 2253:20 Unique 3.24, 3.30 A)
&rst
ixpk= 2253, nxpk= 20, iat= 138, 126, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 GLU HB- 14 ILE HA 6.00 (# 2254:20 Unique 5.57, 5.85 A)
&rst
ixpk= 2254, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 241, 242,
&end
#
# 0 AMB 20-2:2255 14 ILE HA 4.50 (# 2255:20 Single 0.00, 0.00 )
&rst
ixpk= 2255, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 222, 273, 274,
&end
#
# 14 ILE HN 14 ILE HA 3.50 (# 2256:20 Unique 2.69, 2.70 A)
&rst
ixpk= 2256, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 ILE HN 14 ILE HG1- 4.50 (# 2257:20 Unique 2.61, 3.78 A)
&rst
ixpk= 2257, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 228, 229,
&end
#
# 0 AMB 20-2:2258 27 GLU HA 4.00 (# 2258:20 Single 0.00, 0.00 )
&rst
ixpk= 2258, nxpk= 20, iat= -1, 423, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 436, 406,
&end
#
# 18 ILE HN 18 ILE HA 5.00 (# 2259:20 Unique 2.92, 2.93 A)
&rst
ixpk= 2259, nxpk= 20, iat= 281, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE HN 18 ILE HA 5.00 (# 2260:20 Unique 3.42, 3.53 A)
&rst
ixpk= 2260, nxpk= 20, iat= 300, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 GLU HN 18 ILE HA 6.00 (# 2261:20 Unique 4.44, 4.50 A)
&rst
ixpk= 2261, nxpk= 20, iat= 266, 283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 ILE HG1- 18 ILE HA 5.50 (# 2262:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2262, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 18 ILE QD1 18 ILE HA 6.00 (# 2263:20 Unique 2.32, 4.42 A)
&rst
ixpk= 2263, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 294, 295, 296,
&end
#
# 18 ILE HA 18 ILE HG1+ 5.50 (# 2264:20 Unique 2.37, 2.75 A)
&rst
ixpk= 2264, nxpk= 20, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 18 ILE QG2 19 ILE HA 6.00 (# 2266:20 Unique 3.22, 4.42 A)
&rst
ixpk= 2266, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 287, 288, 289,
&end
#
# 21 ASP HN 21 ASP HB- 3.50 (# 2267:20 Unique 2.35, 2.76 A)
&rst
ixpk= 2267, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 339, 340,
&end
#
# 25 LYS HN 25 LYS HB+ 3.80 (# 2268:20 Unique 2.46, 3.09 A)
&rst
ixpk= 2268, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 388, 389,
&end
#
# 96 LYS HG+ 96 LYS HE+ 3.80 (# 2269:20 Unique 2.14, 3.37 A)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1526,1527,
igr2=1532,1533,
&end
#
# 0 AMB 20-2:2270 0 AMB 20-1:2270 3.00 (# 2270:20 Double 0.00, 0.00 )
&rst
ixpk= 2270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1529,1530,1523,1524,
igr2=1532,1533,1532,1533,
&end
#
# 27 GLU HN 26 GLU HA 4.00 (# 2271:20 Unique 3.57, 3.57 A)
&rst
ixpk= 2271, nxpk= 20, iat= 421, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 LEU HN 39 THR HB 3.00 (# 2274:20 Unique 2.05, 2.51 A)
&rst
ixpk= 2274, nxpk= 20, iat= 638, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 39 THR HN 39 THR HB 3.00 (# 2275:20 Unique 2.30, 2.38 A)
&rst
ixpk= 2275, nxpk= 20, iat= 624, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 PHE HA 43 PRO HA 2.80 (# 2276:20 Unique 1.96, 2.05 A)
&rst
ixpk= 2276, nxpk= 20, iat= 674, 702, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2279 47 LYS HB- 5.00 (# 2279:20 Single 0.00, 0.00 )
&rst
ixpk= 2279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 809, 810, 763, 764,
igr2= 754, 755,
&end
#
# 0 AMB 20-2:2280 52 SER HA 5.00 (# 2280:20 Single 0.00, 0.00 )
&rst
ixpk= 2280, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 862, 977,
&end
#
# 63 VAL HN 62 THR HA 2.80 (# 2281:20 Unique 2.14, 2.15 A)
&rst
ixpk= 2281, nxpk= 20, iat=1043,1031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 TRP HN 62 THR HA 4.00 (# 2282:20 Unique 3.43, 3.56 A)
&rst
ixpk= 2282, nxpk= 20, iat= 772,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 47 LYS HA 62 THR HA 3.00 (# 2283:20 Unique 2.68, 2.82 A)
&rst
ixpk= 2283, nxpk= 20, iat= 752,1031, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 THR MG2 62 THR HA 3.00 (# 2284:20 Unique 2.34, 2.97 A)
&rst
ixpk= 2284, nxpk= 20, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1035,1036,1037,
&end
#
# 73 GLU HN 73 GLU HG+ 4.00 (# 2285:20 Unique 2.68, 4.13 A)
&rst
ixpk= 2285, nxpk= 20, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1188,1189,
&end
#
# 94 THR HN 81 GLU HA 5.00 (# 2286:20 Unique 4.40, 4.81 A)
&rst
ixpk= 2286, nxpk= 20, iat=1495,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 VAL HN 81 GLU HA 2.80 (# 2287:20 Unique 2.14, 2.16 A)
&rst
ixpk= 2287, nxpk= 20, iat=1329,1316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 ASP HN 84 ASP HB- 4.00 (# 2288:20 Unique 2.17, 3.33 A)
&rst
ixpk= 2288, nxpk= 20, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1359,1360,
&end
#
# 0 AMB 20-2:2289 0 AMB 20-1:2289 3.00 (# 2289:20 Double 0.00, 0.00 )
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1674,1698,
igr2=1678,1679,1678,1679,
&end
#
# 0 AMB 20-2:2290 106 ASP HB- 3.50 (# 2290:20 Single 0.00, 0.00 )
&rst
ixpk= 2290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1674,1698,
igr2=1678,1679,
&end
#
# 89 ASP HB- 89 ASP HA 3.50 (# 2291:20 Unique 2.34, 2.76 A)
&rst
ixpk= 2291, nxpk= 20, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1426,1427,
&end
#
# 21 ASP HB- 21 ASP HA 3.00 (# 2292:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2292, nxpk= 20, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 339, 340,
&end
#
# 21 ASP HB+ 21 ASP HA 3.00 (# 2293:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2293, nxpk= 20, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 339, 340,
&end
#
# 92 VAL HN 91 ASP HB- 4.00 (# 2294:20 Unique 2.82, 3.61 A)
&rst
ixpk= 2294, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1450,1451,
&end
#
# 0 AMB 20-2:2295 94 THR HB 6.00 (# 2295:20 Single 0.00, 0.00 )
&rst
ixpk= 2295, nxpk= 20, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1316,1476,
&end
#
# 95 ALA HN 94 THR HB 6.00 (# 2296:20 Unique 3.92, 4.03 A)
&rst
ixpk= 2296, nxpk= 20, iat=1509,1499, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 95 ALA HN 94 THR MG2 6.00 (# 2297:20 Unique 3.06, 4.00 A)
&rst
ixpk= 2297, nxpk= 20, iat=1509, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1501,1502,1503,
&end
#
# 101 GLU HN 101 GLU HG+ 4.80 (# 2300:20 Unique 4.19, 4.62 A)
&rst
ixpk= 2300, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1609,1610,
&end
#
# 120 LEU HN 119 TRP HB+ 4.50 (# 2301:20 Unique 3.05, 3.85 A)
&rst
ixpk= 2301, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1875,1876,
&end
#
# 120 LEU HN 119 TRP HB- 4.50 (# 2302:20 Unique 3.05, 3.85 A)
&rst
ixpk= 2302, nxpk= 20, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1875,1876,
&end
#
# 66 LEU MDX 43 PRO HA 6.00 (# 2303:20 Unique 4.39, 6.69 A)
&rst
ixpk= 2303, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1099,1100,1101,1103,1104,1105,
&end
#
# 102 ALA HA 46 GLY HA- 4.00 (# 2304:20 Unique 2.17, 2.94 A)
&rst
ixpk= 2304, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 745, 746,
&end
#
# 107 ASP HB- 107 ASP HA 3.00 (# 2305:20 Unique 2.41, 2.78 A)
&rst
ixpk= 2305, nxpk= 20, iat= -1,1688, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1690,1691,
&end
#
# 107 ASP HB- 106 ASP HA 5.00 (# 2306:20 Unique 4.55, 5.49 A)
&rst
ixpk= 2306, nxpk= 20, iat= -1,1676, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1690,1691,
&end
#
# 62 THR HB 62 THR MG2 3.00 (# 2307:20 Unique 2.24, 2.64 A)
&rst
ixpk= 2307, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1035,1036,1037,
&end
#
# 30 MET HA 78 MET ME 6.00 (# 2309:20 Unique 4.71, 5.81 A)
&rst
ixpk= 2309, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1271,1272,1273,
&end
#
# 0 AMB 20-2:2310 109 THR HA 5.50 (# 2310:20 Single 0.00, 0.00 )
&rst
ixpk= 2310, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1662, 661, 662,1728,1729,
&end
#
# 40 LEU HG 109 THR HA 4.00 (# 2311:20 Unique 2.77, 3.34 A)
&rst
ixpk= 2311, nxpk= 20, iat= 645,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 38 ASP HA 38 ASP HB- 3.00 (# 2312:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2312, nxpk= 20, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 616, 617,
&end
#
# 42 PHE HD 40 LEU HB+ 5.00 (# 2313:20 Unique 2.73, 5.05 A)
&rst
ixpk= 2313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 680, 688,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:2314 40 LEU HB- 4.00 (# 2314:20 Single 0.00, 0.00 )
&rst
ixpk= 2314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 672, 657,
igr2= 642, 643,
&end
#
# 42 PHE HD 40 LEU HB- 5.00 (# 2315:20 Unique 2.73, 5.05 A)
&rst
ixpk= 2315, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 680, 688,
igr2= 642, 643,
&end
#
# 118 TYR HA 118 TYR HB+ 3.00 (# 2316:20 Unique 2.33, 2.68 A)
&rst
ixpk= 2316, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1854,1855,
&end
#
# 118 TYR HA 118 TYR HB- 3.50 (# 2319:20 Unique 2.33, 2.68 A)
&rst
ixpk= 2319, nxpk= 20, iat=1852, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1854,1855,
&end
#
# 108 ASP HA 108 ASP HB+ 3.50 (# 2320:20 Unique 2.32, 2.81 A)
&rst
ixpk= 2320, nxpk= 20, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1702,1703,
&end
#
# 17 GLU HB- 18 ILE QD1 6.50 (# 2321:20 Unique 4.01, 5.80 A)
&rst
ixpk= 2321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 270, 271,
igr2= 294, 295, 296,
&end
#
# 114 ALA HN 113 ILE QD1 5.50 (# 2323:20 Unique 4.00, 4.95 A)
&rst
ixpk= 2323, nxpk= 20, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1779,1780,1781,
&end
#
# 85 ILE HA 85 ILE QD1 4.00 (# 2325:20 Unique 4.61, 5.08 A)
&rst
ixpk= 2325, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1380,1381,1382,
&end
#
# 15 GLU HA 19 ILE QD1 3.50 (# 2326:20 Unique 1.84, 2.77 A)
&rst
ixpk= 2326, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 313, 314, 315,
&end
#
# 0 AMB 20-2:2327 19 ILE QD1 5.00 (# 2327:20 Single 0.00, 0.00 )
&rst
ixpk= 2327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 285, 224, 225, 226,
igr2= 313, 314, 315,
&end
#
# 125 LYS HA 125 LYS HB+ 3.00 (# 2330:20 Unique 2.37, 2.69 A)
&rst
ixpk= 2330, nxpk= 20, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1980,1981,
&end
#
# 125 LYS HA 125 LYS HB- 3.00 (# 2331:20 Unique 2.37, 2.69 A)
&rst
ixpk= 2331, nxpk= 20, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1980,1981,
&end
#
# 125 LYS HA 125 LYS HG+ 4.00 (# 2332:20 Unique 2.57, 3.31 A)
&rst
ixpk= 2332, nxpk= 20, iat=1978, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1983,1984,
&end
#
# 125 LYS HB+ 125 LYS HG+ 3.00 (# 2333:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1980,1981,
igr2=1983,1984,
&end
#
# 0 AMB 20-2:2334 0 AMB 20-1:2334 3.00 (# 2334:20 Double 0.00, 0.00 )
&rst
ixpk= 2334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1980,1981,1986,1987,
igr2=1983,1984,1983,1984,
&end
#
# 124 TYR HA 124 TYR HB+ 3.00 (# 2335:20 Unique 2.27, 2.50 A)
&rst
ixpk= 2335, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1959,1960,
&end
#
# 124 TYR HA 124 TYR HB- 3.00 (# 2336:20 Unique 2.27, 2.50 A)
&rst
ixpk= 2336, nxpk= 20, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1959,1960,
&end
#
# 122 ARG HN 121 ALA MB 3.00 (# 2337:20 Unique 2.35, 3.41 A)
&rst
ixpk= 2337, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1918,1919,1920,
&end
#
# 109 THR HA 112 ALA MB 4.00 (# 2338:20 Unique 2.69, 3.81 A)
&rst
ixpk= 2338, nxpk= 20, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1760,1761,1762,
&end
#
# 75 LEU HG 75 LEU HB+ 3.00 (# 2339:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2339, nxpk= 20, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1211,1212,
&end
#
# 98 SER HB+ 120 LEU MDY 4.00 (# 2340:20 Unique 2.92, 5.40 A)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1564,1565,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 120 LEU HB- 120 LEU MDY 3.00 (# 2341:20 Unique 1.92, 3.27 A)
&rst
ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1899,1900,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 92 VAL HA 83 ALA MB 4.00 (# 2342:20 Unique 3.10, 3.97 A)
&rst
ixpk= 2342, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1349,1350,1351,
&end
#
# 117 LEU HN 116 TRP HB+ 4.00 (# 2343:20 Unique 2.25, 3.28 A)
&rst
ixpk= 2343, nxpk= 20, iat=1831, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1811,1812,
&end
#
# 78 MET HG- 116 TRP HB- 5.50 (# 2345:20 Unique 2.86, 4.79 A)
&rst
ixpk= 2345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1267,1268,
igr2=1811,1812,
&end
#
# 113 ILE HA 113 ILE HG1- 3.50 (# 2346:20 Unique 2.16, 2.73 A)
&rst
ixpk= 2346, nxpk= 20, iat=1768, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 111 GLU HA 111 GLU HG+ 3.00 (# 2347:20 Unique 2.51, 3.16 A)
&rst
ixpk= 2347, nxpk= 20, iat=1743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1748,1749,
&end
#
# 4 VAL HA 5 GLU HG+ 6.00 (# 2348:20 Unique 4.59, 5.75 A)
&rst
ixpk= 2348, nxpk= 20, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 65, 66,
&end
#
# 113 ILE HB 110 GLN HA 3.00 (# 2349:20 Unique 2.85, 2.97 A)
&rst
ixpk= 2349, nxpk= 20, iat=1770,1726, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 GLU HB+ 108 ASP HA 3.00 (# 2350:20 Unique 2.84, 3.66 A)
&rst
ixpk= 2350, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1745,1746,
&end
#
# 108 ASP HB- 108 ASP HA 3.00 (# 2351:20 Unique 2.32, 2.81 A)
&rst
ixpk= 2351, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1702,1703,
&end
#
# 109 THR HN 108 ASP HB+ 3.50 (# 2352:20 Unique 2.52, 2.89 A)
&rst
ixpk= 2352, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1702,1703,
&end
#
# 47 LYS HG+ 103 ILE QD1 4.50 (# 2353:20 Unique 2.18, 4.28 A)
&rst
ixpk= 2353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 757, 758,
igr2=1640,1641,1642,
&end
#
# 104 ASP HA 103 ILE QG2 4.00 (# 2354:20 Unique 3.80, 4.79 A)
&rst
ixpk= 2354, nxpk= 20, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1633,1634,1635,
&end
#
# 47 LYS HN 101 GLU HB+ 3.50 (# 2355:20 Unique 1.82, 3.03 A)
&rst
ixpk= 2355, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1606,1607,
&end
#
# 0 AMB 20-2:2357 0 AMB 20-1:2357 4.00 (# 2357:20 Double 0.00, 0.00 )
&rst
ixpk= 2357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 357, 750,
igr2= 364, 365,1609,1610,
&end
#
# 0 AMB 20-2:2358 0 AMB 20-1:2358 4.00 (# 2358:20 Double 0.00, 0.00 )
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1564,1565,1564,1565,
&end
#
# 0 AMB 20-2:2359 0 AMB 20-1:2359 4.00 (# 2359:20 Double 0.00, 0.00 )
&rst
ixpk= 2359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
1309,1310,
igr2=1564,1565,1564,1565,
&end
#
# 97 LEU HN 97 LEU HA 4.00 (# 2360:20 Unique 2.68, 2.71 A)
&rst
ixpk= 2360, nxpk= 20, iat=1541,1543, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 LEU HN 97 LEU HB+ 3.50 (# 2361:20 Unique 2.20, 2.98 A)
&rst
ixpk= 2361, nxpk= 20, iat=1541, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,
&end
#
# 97 LEU HA 97 LEU HB+ 3.50 (# 2362:20 Unique 2.44, 2.78 A)
&rst
ixpk= 2362, nxpk= 20, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1545,1546,
&end
#
# 75 LEU MDX 75 LEU HB+ 3.80 (# 2363:20 Unique 2.25, 3.28 A)
&rst
ixpk= 2363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1216,1217,1218,1220,1221,1222,
igr2=1211,1212,
&end
#
# 0 AMB 20-2:2365 97 LEU HA 7.00 (# 2365:20 Single 0.00, 0.00 )
&rst
ixpk= 2365, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1596,1597,1598,1513,1514,1515,
&end
#
# 96 LYS HG- 96 LYS HA 3.60 (# 2366:20 Unique 2.43, 3.28 A)
&rst
ixpk= 2366, nxpk= 20, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1526,1527,
&end
#
# 47 LYS HB+ 47 LYS HE+ 3.00 (# 2371:20 Unique 2.79, 4.20 A)
&rst
ixpk= 2371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 754, 755,
igr2= 763, 764,
&end
#
# 103 ILE QD1 47 LYS HE+ 3.00 (# 2372:20 Unique 2.38, 3.93 A)
&rst
ixpk= 2372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1640,1641,1642,
igr2= 763, 764,
&end
#
# 0 AMB 20-2:2375 0 AMB 20-1:2375 4.00 (# 2375:20 Double 0.00, 0.00 )
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 733, 734, 169, 170,
igr2=1035,1036,1037, 130, 131, 132,
&end
#
# 0 AMB 20-2:2376 62 THR MG2 6.00 (# 2376:20 Single 0.00, 0.00 )
&rst
ixpk= 2376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 733, 734, 776, 777,
igr2=1035,1036,1037,
&end
#
# 94 THR HA 94 THR HB 3.50 (# 2378:20 Unique 2.92, 2.96 A)
&rst
ixpk= 2378, nxpk= 20, iat=1497,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2379 76 LYS HA 6.00 (# 2379:20 Single 0.00, 0.00 )
&rst
ixpk= 2379, nxpk= 20, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1196,1290,
&end
#
# 29 ALA HA 30 MET ME 5.00 (# 2380:20 Unique 3.99, 5.02 A)
&rst
ixpk= 2380, nxpk= 20, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 481, 482, 483,
&end
#
# 65 VAL HA 82 VAL MGX 4.50 (# 2381:20 Unique 1.52, 3.98 A)
&rst
ixpk= 2381, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 51 LYS HN 50 LYS HB- 4.50 (# 2384:20 Unique 3.14, 3.78 A)
&rst
ixpk= 2384, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 822, 823,
&end
#
# 72 ASP HN 70 PRO HB+ 3.80 (# 2385:20 Unique 2.20, 3.11 A)
&rst
ixpk= 2385, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1150,1151,
&end
#
# 33 TYR HN 32 TRP HB+ 3.50 (# 2389:20 Unique 2.24, 2.77 A)
&rst
ixpk= 2389, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 33 TYR HN 32 TRP HB- 3.50 (# 2390:20 Unique 2.24, 2.77 A)
&rst
ixpk= 2390, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 63 VAL HB 63 VAL MGX 4.00 (# 2391:20 Unique 2.22, 2.63 A)
&rst
ixpk= 2391, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 114 ALA HN 111 GLU HA 4.50 (# 2392:20 Unique 3.85, 3.91 A)
&rst
ixpk= 2392, nxpk= 20, iat=1785,1743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HB- 11 GLU HA 5.00 (# 2394:20 Unique 4.20, 4.51 A)
&rst
ixpk= 2394, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 241, 242,
&end
#
# 14 ILE HN 11 GLU HA 5.50 (# 2396:20 Unique 4.74, 5.00 A)
&rst
ixpk= 2396, nxpk= 20, iat= 218, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 CYS HN 71 ASP HA 4.00 (# 2397:20 Unique 2.82, 3.52 A)
&rst
ixpk= 2397, nxpk= 20, iat=1196,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 GLU HA 11 GLU HB- 4.50 (# 2398:20 Unique 2.63, 3.84 A)
&rst
ixpk= 2398, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 166, 167,
&end
#
# 14 ILE HA 18 ILE QD1 5.00 (# 2399:20 Unique 2.63, 3.83 A)
&rst
ixpk= 2399, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:2400 29 ALA HA 5.00 (# 2400:20 Single 0.00, 0.00 )
&rst
ixpk= 2400, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 496, 408, 489, 490,2002,2003, 423,
&end
#
# 63 VAL MGX 62 THR HA 4.00 (# 2401:20 Unique 3.50, 4.92 A)
&rst
ixpk= 2401, nxpk= 20, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 62 THR HN 62 THR HA 4.00 (# 2402:20 Unique 2.80, 2.82 A)
&rst
ixpk= 2402, nxpk= 20, iat=1029,1031, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 THR MG2 54 LYS HB- 6.50 (# 2404:20 Unique 3.31, 5.13 A)
&rst
ixpk= 2404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
igr1= 925, 926, 927,
igr2= 901, 902,
&end
#
# 3 SER HN 3 SER HA 3.50 (# 2405:20 Unique 2.79, 2.84 A)
&rst
ixpk= 2405, nxpk= 20, iat= 31, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 SER HN 3 SER HB- 4.00 (# 2406:20 Unique 2.75, 3.56 A)
&rst
ixpk= 2406, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 35, 36,
&end
#
# 6 ARG HN 6 ARG HD+ 4.00 (# 2411:20 Unique 1.84, 3.39 A)
&rst
ixpk= 2411, nxpk= 20, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 83, 84,
&end
#
# 8 GLU HN 8 GLU HA 3.00 (# 2412:20 Unique 2.28, 2.41 A)
&rst
ixpk= 2412, nxpk= 20, iat= 109, 111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 ILE QD1 15 GLU HA 3.00 (# 2414:20 Unique 1.84, 2.77 A)
&rst
ixpk= 2414, nxpk= 20, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 313, 314, 315,
&end
#
# 0 AMB 20-2:2415 11 GLU HA 4.00 (# 2415:20 Single 0.00, 0.00 )
&rst
ixpk= 2415, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 224, 225, 226, 142, 143,
&end
#
# 9 THR HN 8 GLU HB+ 4.50 (# 2416:20 Unique 3.41, 3.97 A)
&rst
ixpk= 2416, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 113, 114,
&end
#
# 9 THR HN 8 GLU HB- 5.00 (# 2417:20 Unique 3.41, 3.97 A)
&rst
ixpk= 2417, nxpk= 20, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 113, 114,
&end
#
# 0 AMB 20-2:2419 9 THR HA 5.00 (# 2419:20 Single 0.00, 0.00 )
&rst
ixpk= 2419, nxpk= 20, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 83, 84, 181, 182,
&end
#
# 9 THR HA 9 THR MG2 3.00 (# 2420:20 Unique 3.52, 3.85 A)
&rst
ixpk= 2420, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:2422 0 AMB 20-1:2422 6.00 (# 2422:20 Double 0.00, 0.00 )
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 266, 124,
igr2= 196, 140,
&end
#
# 15 GLU HN 14 ILE HA 4.50 (# 2423:20 Unique 3.48, 3.49 A)
&rst
ixpk= 2423, nxpk= 20, iat= 237, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 ILE HN 14 ILE HA 5.00 (# 2424:20 Unique 4.61, 5.20 A)
&rst
ixpk= 2424, nxpk= 20, iat= 300, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 ILE HN 14 ILE HA 5.00 (# 2425:20 Unique 2.90, 3.39 A)
&rst
ixpk= 2425, nxpk= 20, iat= 281, 220, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 ILE QD1 14 ILE HA 4.00 (# 2426:20 Unique 3.89, 4.40 A)
&rst
ixpk= 2426, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 231, 232, 233,
&end
#
# 18 ILE QD1 14 ILE HG1- 5.50 (# 2427:20 Unique 1.95, 3.08 A)
&rst
ixpk= 2427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295, 296,
igr2= 228, 229,
&end
#
# 14 ILE HA 14 ILE QD1 4.00 (# 2431:20 Unique 3.89, 4.40 A)
&rst
ixpk= 2431, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 231, 232, 233,
&end
#
# 10 ARG HB- 14 ILE QD1 5.00 (# 2432:20 Unique 2.74, 5.15 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 142, 143,
igr2= 231, 232, 233,
&end
#
# 15 GLU HA 14 ILE QG2 4.00 (# 2433:20 Unique 3.10, 3.88 A)
&rst
ixpk= 2433, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 224, 225, 226,
&end
#
# 14 ILE HA 14 ILE QG2 4.00 (# 2434:20 Unique 2.75, 3.65 A)
&rst
ixpk= 2434, nxpk= 20, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 224, 225, 226,
&end
#
# 0 AMB 20-2:2435 0 AMB 20-1:2435 5.00 (# 2435:20 Double 0.00, 0.00 )
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 252, 372,
igr2= 239, 423,
&end
#
# 57 THR HN 57 THR HB 5.00 (# 2438:20 Unique 2.29, 2.65 A)
&rst
ixpk= 2438, nxpk= 20, iat= 944, 948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 GLU HN 16 THR HB 6.00 (# 2439:20 Unique 4.51, 4.54 A)
&rst
ixpk= 2439, nxpk= 20, iat= 266, 256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 THR MG2 16 THR HB 3.00 (# 2440:20 Unique 2.36, 2.64 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 258, 259, 260,
&end
#
# 0 AMB 20-2:2441 16 THR HB 5.50 (# 2441:20 Single 0.00, 0.00 )
&rst
ixpk= 2441, nxpk= 20, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 40 LEU HN 39 THR HA 4.00 (# 2444:20 Unique 3.48, 3.55 A)
&rst
ixpk= 2444, nxpk= 20, iat= 638, 626, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2445 18 ILE HB 7.00 (# 2445:20 Single 0.00, 0.00 )
&rst
ixpk= 2445, nxpk= 20, iat= -1, 285, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 222, 304,
&end
#
# 18 ILE HN 18 ILE HG1+ 5.00 (# 2446:20 Unique 2.27, 3.33 A)
&rst
ixpk= 2446, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 291, 292,
&end
#
# 36 LEU HN 18 ILE QG2 7.00 (# 2448:20 Unique 4.90, 5.73 A)
&rst
ixpk= 2448, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 287, 288, 289,
&end
#
# 0 AMB 20-2:2449 18 ILE QD1 7.00 (# 2449:20 Single 0.00, 0.00 )
&rst
ixpk= 2449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 218, 581,
igr2= 294, 295, 296,
&end
#
# 0 AMB 20-2:2450 18 ILE QD1 7.00 (# 2450:20 Single 0.00, 0.00 )
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 564, 565,1799,1800,
igr2= 294, 295, 296,
&end
#
# 14 ILE HB 18 ILE QD1 6.00 (# 2451:20 Unique 4.06, 5.22 A)
&rst
ixpk= 2451, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 294, 295, 296,
&end
#
# 14 ILE QD1 18 ILE QD1 6.00 (# 2452:20 Unique 2.14, 4.14 A)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 231, 232, 233,
igr2= 294, 295, 296,
&end
#
# 19 ILE QD1 19 ILE HA 4.00 (# 2453:20 Unique 3.78, 4.60 A)
&rst
ixpk= 2453, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 313, 314, 315,
&end
#
# 0 AMB 20-2:2454 19 ILE HA 4.00 (# 2454:20 Single 0.00, 0.00 )
&rst
ixpk= 2454, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 325, 326, 327, 329, 330, 331, 325, 326, 327, 329,
330, 331,
&end
#
# 32 TRP HD1 19 ILE QG2 3.50 (# 2455:20 Unique 1.85, 2.81 A)
&rst
ixpk= 2455, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 306, 307, 308,
&end
#
# 19 ILE HA 19 ILE QG2 3.00 (# 2456:20 Unique 2.03, 2.87 A)
&rst
ixpk= 2456, nxpk= 20, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 306, 307, 308,
&end
#
# 78 MET ME 29 ALA MB 3.00 (# 2459:20 Unique 1.96, 4.11 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1271,1272,1273,
igr2= 464, 465, 466,
&end
#
# 30 MET HN 29 ALA MB 3.00 (# 2460:20 Unique 2.75, 3.57 A)
&rst
ixpk= 2460, nxpk= 20, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 464, 465, 466,
&end
#
# 28 ARG HA 19 ILE QD1 5.50 (# 2461:20 Unique 3.64, 4.97 A)
&rst
ixpk= 2461, nxpk= 20, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 313, 314, 315,
&end
#
# 18 ILE QG2 19 ILE QD1 6.00 (# 2462:20 Unique 2.08, 5.04 A)
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 287, 288, 289,
igr2= 313, 314, 315,
&end
#
# 19 ILE HN 20 VAL MGY 6.00 (# 2464:20 Unique 3.64, 5.80 A)
&rst
ixpk= 2464, nxpk= 20, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 92 VAL HA 92 VAL MGY 3.00 (# 2465:20 Unique 2.13, 3.52 A)
&rst
ixpk= 2465, nxpk= 20, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 31 GLY HA- 22 ALA MB 5.00 (# 2468:20 Unique 3.00, 4.46 A)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 489, 490,
igr2= 351, 352, 353,
&end
#
# 126 PHE HB- 25 LYS HG+ 7.00 (# 2473:20 Unique 6.13, 7.31 A)
&rst
ixpk= 2473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2002,2003,
igr2= 391, 392,
&end
#
# 26 GLU HA 25 LYS HG- 5.30 (# 2474:20 Unique 3.57, 4.62 A)
&rst
ixpk= 2474, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 391, 392,
&end
#
# 29 ALA HN 28 ARG HA 4.00 (# 2475:20 Unique 3.56, 3.57 A)
&rst
ixpk= 2475, nxpk= 20, iat= 460, 438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 GLY HN 28 ARG HA 4.50 (# 2476:20 Unique 3.61, 3.79 A)
&rst
ixpk= 2476, nxpk= 20, iat= 487, 438, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 MET ME 29 ALA HA 6.50 (# 2477:20 Unique 3.99, 5.02 A)
&rst
ixpk= 2477, nxpk= 20, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 481, 482, 483,
&end
#
# 0 AMB 20-2:2478 32 TRP HA 5.00 (# 2478:20 Single 0.00, 0.00 )
&rst
ixpk= 2478, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 590, 591, 592, 594, 595, 596,1267,1268,
&end
#
# 18 ILE QD1 32 TRP HA 6.50 (# 2479:20 Unique 3.50, 4.86 A)
&rst
ixpk= 2479, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr1= 294, 295, 296,
&end
#
# 36 LEU HB- 33 TYR HA 3.80 (# 2480:20 Unique 1.89, 2.46 A)
&rst
ixpk= 2480, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 585, 586,
&end
#
# 0 AMB 20-2:2481 35 TYR HA 6.00 (# 2481:20 Single 0.00, 0.00 )
&rst
ixpk= 2481, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 18 ILE QG2 35 TYR HA 7.00 (# 2482:20 Unique 5.24, 6.84 A)
&rst
ixpk= 2482, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 287, 288, 289,
&end
#
# 18 ILE QG2 35 TYR HB+ 6.00 (# 2483:20 Unique 2.49, 4.65 A)
&rst
ixpk= 2483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 287, 288, 289,
igr2= 564, 565,
&end
#
# 0 AMB 20-2:2484 117 LEU HA 4.00 (# 2484:20 Single 0.00, 0.00 )
&rst
ixpk= 2484, nxpk= 20, iat= -1,1833, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
&end
#
# 40 LEU HN 36 LEU HA 4.50 (# 2485:20 Unique 3.49, 3.92 A)
&rst
ixpk= 2485, nxpk= 20, iat= 638, 583, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 LEU MDX 36 LEU HB- 4.00 (# 2486:20 Unique 1.94, 3.22 A)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 590, 591, 592, 594, 595, 596,
igr2= 585, 586,
&end
#
# 0 AMB 20-2:2487 36 LEU HG 3.50 (# 2487:20 Single 0.00, 0.00 )
&rst
ixpk= 2487, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 585, 586,1760,1761,1762,
&end
#
# 36 LEU HA 36 LEU HG 3.00 (# 2488:20 Unique 2.33, 2.68 A)
&rst
ixpk= 2488, nxpk= 20, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2489 37 ASP HA 4.00 (# 2489:20 Single 0.00, 0.00 )
&rst
ixpk= 2489, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 612, 624,
&end
#
# 40 LEU MDX 37 ASP HA 5.00 (# 2490:20 Unique 2.49, 4.69 A)
&rst
ixpk= 2490, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 39 THR HB 39 THR HA 3.50 (# 2492:20 Unique 3.00, 3.01 A)
&rst
ixpk= 2492, nxpk= 20, iat= 628, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ASP HB- 39 THR HA 5.00 (# 2493:20 Unique 4.09, 4.96 A)
&rst
ixpk= 2493, nxpk= 20, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 616, 617,
&end
#
# 112 ALA MB 39 THR HA 6.00 (# 2494:20 Unique 5.36, 6.24 A)
&rst
ixpk= 2494, nxpk= 20, iat= -1, 626, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1760,1761,1762,
&end
#
# 39 THR HA 39 THR HB 3.50 (# 2496:20 Unique 3.00, 3.01 A)
&rst
ixpk= 2496, nxpk= 20, iat= 626, 628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 THR HA 39 THR MG2 3.00 (# 2497:20 Unique 2.44, 3.23 A)
&rst
ixpk= 2497, nxpk= 20, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 630, 631, 632,
&end
#
# 41 GLU HG+ 40 LEU HA 5.50 (# 2500:20 Unique 3.62, 5.04 A)
&rst
ixpk= 2500, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 664, 665,
&end
#
# 0 AMB 20-2:2501 40 LEU HA 5.00 (# 2501:20 Single 0.00, 0.00 )
&rst
ixpk= 2501, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 661, 662,1662,
&end
#
# 0 AMB 20-2:2502 40 LEU MDX 5.00 (# 2502:20 Single 0.00, 0.00 )
&rst
ixpk= 2502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1766, 657,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 39 THR HB 40 LEU MDY 5.50 (# 2503:20 Unique 2.84, 4.99 A)
&rst
ixpk= 2503, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 39 THR HB 40 LEU MDX 5.50 (# 2504:20 Unique 2.84, 4.99 A)
&rst
ixpk= 2504, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 108 ASP HB- 40 LEU MDX 7.00 (# 2505:20 Unique 4.55, 8.16 A)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1702,1703,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 76 LYS HE+ 75 LEU MDY 6.00 (# 2507:20 Unique 4.77, 8.06 A)
&rst
ixpk= 2507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1239,1240,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 43 PRO HA 42 PHE HB+ 4.00 (# 2511:20 Unique 2.60, 3.40 A)
&rst
ixpk= 2511, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 676, 677,
&end
#
# 42 PHE HA 42 PHE HB+ 3.00 (# 2512:20 Unique 2.26, 2.51 A)
&rst
ixpk= 2512, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 676, 677,
&end
#
# 42 PHE HA 42 PHE HB- 3.00 (# 2513:20 Unique 2.26, 2.51 A)
&rst
ixpk= 2513, nxpk= 20, iat= 674, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 676, 677,
&end
#
# 16 THR HB 16 THR HA 3.00 (# 2514:20 Unique 2.33, 2.35 A)
&rst
ixpk= 2514, nxpk= 20, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2516 44 PHE HA 6.00 (# 2516:20 Single 0.00, 0.00 )
&rst
ixpk= 2516, nxpk= 20, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 733, 734,1650,1651, 676, 677,
&end
#
# 33 TYR HD 68 MET ME 4.00 (# 2517:20 Unique 1.81, 4.08 A)
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 526, 535,
igr2=1127,1128,1129,
&end
#
# 45 MET ME 46 GLY HA+ 4.50 (# 2520:20 Unique 2.34, 3.92 A)
&rst
ixpk= 2520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 737, 738, 739,
igr2= 745, 746,
&end
#
# 48 TRP HB- 47 LYS HA 5.00 (# 2521:20 Unique 4.38, 4.65 A)
&rst
ixpk= 2521, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 776, 777,
&end
#
# 117 LEU MDY 99 ASP HA 5.00 (# 2523:20 Unique 1.96, 4.12 A)
&rst
ixpk= 2523, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1840,1841,1842,1844,1845,1846,
&end
#
# 50 LYS HG+ 99 ASP HA 9.00 (# 2524:20 Unique 8.49, 9.44 A)
&rst
ixpk= 2524, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 825, 826,
&end
#
# 48 TRP HE1 50 LYS HE+ 5.00 (# 2525:20 Unique 2.73, 4.02 A)
&rst
ixpk= 2525, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 831, 832,
&end
#
# 100 ILE HG1- 48 TRP HA 3.50 (# 2526:20 Unique 1.84, 2.79 A)
&rst
ixpk= 2526, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1593,1594,
&end
#
# 49 LYS HB- 48 TRP HA 6.00 (# 2527:20 Unique 4.82, 5.31 A)
&rst
ixpk= 2527, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 800, 801,
&end
#
# 99 ASP HB+ 48 TRP HA 6.00 (# 2528:20 Unique 4.09, 5.24 A)
&rst
ixpk= 2528, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1575,1576,
&end
#
# 48 TRP HE1 48 TRP HA 5.00 (# 2529:20 Unique 4.74, 4.79 A)
&rst
ixpk= 2529, nxpk= 20, iat= 782, 774, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 LYS HN 48 TRP HB- 4.00 (# 2530:20 Unique 2.30, 3.41 A)
&rst
ixpk= 2530, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 60 GLU HA 49 LYS HA 3.00 (# 2531:20 Unique 2.44, 2.69 A)
&rst
ixpk= 2531, nxpk= 20, iat= 994, 798, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 49 LYS HN 49 LYS HB+ 4.00 (# 2532:20 Unique 2.73, 3.17 A)
&rst
ixpk= 2532, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 800, 801,
&end
#
# 49 LYS HE+ 49 LYS HB- 4.50 (# 2534:20 Unique 2.01, 3.77 A)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 809, 810,
igr2= 800, 801,
&end
#
# 49 LYS HA 49 LYS HG- 4.00 (# 2535:20 Unique 3.02, 3.61 A)
&rst
ixpk= 2535, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 803, 804,
&end
#
# 0 AMB 20-2:2536 0 AMB 20-1:2536 5.50 (# 2536:20 Double 0.00, 0.00 )
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 798, 921,
igr2= 803, 804, 904, 905,
&end
#
# 50 LYS HA 50 LYS HD- 5.00 (# 2537:20 Unique 3.70, 4.35 A)
&rst
ixpk= 2537, nxpk= 20, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 828, 829,
&end
#
# 61 LYS HE- 50 LYS HD+ 5.00 (# 2538:20 Unique 2.56, 4.65 A)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1020,1021,
igr2= 828, 829,
&end
#
# 61 LYS HE- 50 LYS HD- 5.00 (# 2539:20 Unique 2.56, 4.65 A)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1020,1021,
igr2= 828, 829,
&end
#
# 4 VAL HN 3 SER HB- 5.00 (# 2540:20 Unique 4.29, 4.49 A)
&rst
ixpk= 2540, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 35, 36,
&end
#
# 57 THR HN 56 SER HA 4.80 (# 2542:20 Unique 2.82, 3.16 A)
&rst
ixpk= 2542, nxpk= 20, iat= 944, 935, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 0 AMB 20-2:2543 56 SER HA 4.00 (# 2543:20 Single 0.00, 0.00 )
&rst
ixpk= 2543, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 844, 845, 850, 851,
&end
#
# 0 AMB 20-2:2544 58 ILE HB 5.50 (# 2544:20 Single 0.00, 0.00 )
&rst
ixpk= 2544, nxpk= 20, iat= -1, 962, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 842,
&end
#
# 59 GLU HG- 59 GLU HA 3.00 (# 2546:20 Unique 2.24, 2.99 A)
&rst
ixpk= 2546, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 984, 985,
&end
#
# 59 GLU HG+ 59 GLU HA 3.00 (# 2547:20 Unique 2.24, 2.99 A)
&rst
ixpk= 2547, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 984, 985,
&end
#
# 0 AMB 20-2:2548 59 GLU HA 4.00 (# 2548:20 Single 0.00, 0.00 )
&rst
ixpk= 2548, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 964, 965, 966, 822, 823,
&end
#
# 49 LYS HA 60 GLU HA 3.00 (# 2549:20 Unique 2.44, 2.69 A)
&rst
ixpk= 2549, nxpk= 20, iat= 798, 994, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 62 THR HB 62 THR HA 3.50 (# 2551:20 Unique 2.96, 3.00 A)
&rst
ixpk= 2551, nxpk= 20, iat=1033,1031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 MET HA 62 THR MG2 6.00 (# 2552:20 Unique 5.10, 6.19 A)
&rst
ixpk= 2552, nxpk= 20, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1035,1036,1037,
&end
#
# 0 AMB 20-2:2554 63 VAL MGX 6.00 (# 2554:20 Single 0.00, 0.00 )
&rst
ixpk= 2554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1007,1090, 796,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 62 THR HA 63 VAL MGX 4.00 (# 2555:20 Unique 3.50, 4.92 A)
&rst
ixpk= 2555, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HA 63 VAL MGX 4.00 (# 2556:20 Unique 1.97, 3.45 A)
&rst
ixpk= 2556, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2560 0 AMB 20-1:2560 4.00 (# 2560:20 Double 0.00, 0.00 )
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 803, 804,1349,1350,1351, 757, 758,
igr2=1606,1607,1063,1064,
&end
#
# 65 VAL HA 65 VAL HB 3.50 (# 2562:20 Unique 2.27, 2.94 A)
&rst
ixpk= 2562, nxpk= 20, iat=1076,1078, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2563 65 VAL MGX 6.00 (# 2563:20 Single 0.00, 0.00 )
&rst
ixpk= 2563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
igr1=1111,1112, 745, 746,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 80 VAL HA 65 VAL MGY 6.00 (# 2565:20 Unique 4.10, 5.89 A)
&rst
ixpk= 2565, nxpk= 20, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 63 VAL MGY 65 VAL MGY 6.00 (# 2566:20 Unique 2.89, 8.02 A)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1080,1081,1082,1084,1085,1086,
&end
#
# 43 PRO HA 66 LEU HA 4.00 (# 2569:20 Unique 3.03, 3.48 A)
&rst
ixpk= 2569, nxpk= 20, iat= 702,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 LEU HN 66 LEU HB- 3.50 (# 2570:20 Unique 2.22, 2.96 A)
&rst
ixpk= 2570, nxpk= 20, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1094,1095,
&end
#
# 81 GLU HB+ 66 LEU HB- 4.00 (# 2571:20 Unique 2.11, 3.49 A)
&rst
ixpk= 2571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1318,1319,
igr2=1094,1095,
&end
#
# 81 GLU HB+ 66 LEU HB+ 3.00 (# 2572:20 Unique 2.11, 3.49 A)
&rst
ixpk= 2572, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1318,1319,
igr2=1094,1095,
&end
#
# 66 LEU HB+ 66 LEU MDX 3.00 (# 2573:20 Unique 2.06, 3.37 A)
&rst
ixpk= 2573, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1094,1095,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 64 GLU HB- 66 LEU MDX 4.00 (# 2574:20 Unique 3.35, 5.97 A)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1063,1064,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 68 MET ME 69 ALA MB 5.00 (# 2575:20 Unique 4.86, 6.69 A)
&rst
ixpk= 2575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1127,1128,1129,
igr2=1137,1138,1139,
&end
#
# 70 PRO HD+ 70 PRO HA 4.50 (# 2576:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 71 ASP HA 70 PRO HA 5.00 (# 2577:20 Unique 4.30, 4.31 A)
&rst
ixpk= 2577, nxpk= 20, iat=1159,1153, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 73 GLU HN 71 ASP HA 4.00 (# 2578:20 Unique 3.30, 3.41 A)
&rst
ixpk= 2578, nxpk= 20, iat=1181,1159, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 CYS HB+ 71 ASP HA 5.00 (# 2579:20 Unique 2.52, 4.71 A)
&rst
ixpk= 2579, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1200,1201,
&end
#
# 73 GLU HN 72 ASP HA 3.50 (# 2580:20 Unique 2.82, 3.03 A)
&rst
ixpk= 2580, nxpk= 20, iat=1181,1171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU MDX 72 ASP HA 3.00 (# 2581:20 Unique 2.81, 4.44 A)
&rst
ixpk= 2581, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 0 AMB 20-2:2584 51 LYS HA 3.00 (# 2584:20 Single 0.00, 0.00 )
&rst
ixpk= 2584, nxpk= 20, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 844, 845, 850, 851,
&end
#
# 75 LEU HB- 74 CYS HA 6.50 (# 2585:20 Unique 4.68, 5.41 A)
&rst
ixpk= 2585, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1211,1212,
&end
#
# 0 AMB 20-2:2586 74 CYS HA 6.00 (# 2586:20 Single 0.00, 0.00 )
&rst
ixpk= 2586, nxpk= 20, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 481, 482, 483,1120,1121,
&end
#
# 0 AMB 20-2:2589 126 PHE HB- 5.00 (# 2589:20 Single 0.00, 0.00 )
&rst
ixpk= 2589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1980,1981,1211,1212,
igr2=2002,2003,
&end
#
# 44 PHE HA 45 MET HB- 5.50 (# 2590:20 Unique 4.14, 4.83 A)
&rst
ixpk= 2590, nxpk= 20, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 730, 731,
&end
#
# 121 ALA MB 121 ALA HA 3.00 (# 2592:20 Unique 2.31, 2.63 A)
&rst
ixpk= 2592, nxpk= 20, iat= -1,1916, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1918,1919,1920,
&end
#
# 0 AMB 20-2:2594 126 PHE HB- 6.00 (# 2594:20 Single 0.00, 0.00 )
&rst
ixpk= 2594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1980,1981,1986,1987,
igr2=2002,2003,
&end
#
# 0 AMB 20-2:2595 126 PHE HB- 5.00 (# 2595:20 Single 0.00, 0.00 )
&rst
ixpk= 2595, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=1959,1960, 464, 465, 466,
igr2=2002,2003,
&end
#
# 41 GLU HN 109 THR MG2 3.00 (# 2597:20 Unique 1.98, 3.56 A)
&rst
ixpk= 2597, nxpk= 20, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1716,1717,1718,
&end
#
# 109 THR HN 109 THR MG2 4.00 (# 2599:20 Unique 4.32, 4.51 A)
&rst
ixpk= 2599, nxpk= 20, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1716,1717,1718,
&end
#
# 109 THR HB 109 THR MG2 3.00 (# 2600:20 Unique 2.23, 2.64 A)
&rst
ixpk= 2600, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1716,1717,1718,
&end
#
# 109 THR HA 109 THR MG2 3.00 (# 2601:20 Unique 2.47, 3.20 A)
&rst
ixpk= 2601, nxpk= 20, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1716,1717,1718,
&end
#
# 40 LEU HG 109 THR MG2 4.10 (# 2602:20 Unique 1.97, 3.14 A)
&rst
ixpk= 2602, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1716,1717,1718,
&end
#
# 112 ALA MB 109 THR MG2 4.00 (# 2603:20 Unique 4.16, 6.13 A)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1760,1761,1762,
igr2=1716,1717,1718,
&end
#
# 33 TYR HA 33 TYR HB+ 3.00 (# 2604:20 Unique 2.32, 2.69 A)
&rst
ixpk= 2604, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 522, 523,
&end
#
# 63 VAL MGY 83 ALA HA 6.00 (# 2606:20 Unique 3.20, 5.91 A)
&rst
ixpk= 2606, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:2607 85 ILE HB 5.00 (# 2607:20 Single 0.00, 0.00 )
&rst
ixpk= 2607, nxpk= 20, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1386,1345,
&end
#
# 0 AMB 20-2:2610 18 ILE QD1 5.50 (# 2610:20 Single 0.00, 0.00 )
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 224, 225, 226, 285,
igr2= 294, 295, 296,
&end
#
# 36 LEU HN 32 TRP HA 4.50 (# 2611:20 Unique 3.73, 4.05 A)
&rst
ixpk= 2611, nxpk= 20, iat= 581, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 TYR HB- 31 GLY HA+ 5.00 (# 2613:20 Unique 2.58, 4.22 A)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 543, 544,
igr2= 489, 490,
&end
#
# 19 ILE HB 19 ILE QG2 3.00 (# 2615:20 Unique 2.27, 2.63 A)
&rst
ixpk= 2615, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 306, 307, 308,
&end
#
# 18 ILE HB 18 ILE HG1+ 5.50 (# 2617:20 Unique 2.31, 2.71 A)
&rst
ixpk= 2617, nxpk= 20, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 62 THR HA 103 ILE QD1 6.00 (# 2618:20 Unique 4.08, 5.51 A)
&rst
ixpk= 2618, nxpk= 20, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1640,1641,1642,
&end
#
# 62 THR HB 85 ILE QD1 4.00 (# 2619:20 Unique 3.19, 4.26 A)
&rst
ixpk= 2619, nxpk= 20, iat=1033, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1380,1381,1382,
&end
#
# 45 MET HG+ 45 MET HA 4.00 (# 2621:20 Unique 3.26, 3.77 A)
&rst
ixpk= 2621, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 733, 734,
&end
#
# 0 AMB 20-2:2622 50 LYS HA 3.00 (# 2622:20 Single 0.00, 0.00 )
&rst
ixpk= 2622, nxpk= 20, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 825, 826, 825, 826,
&end
#
# 51 LYS HA 58 ILE HG1- 4.80 (# 2623:20 Unique 2.27, 4.15 A)
&rst
ixpk= 2623, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 968, 969,
&end
#
# 51 LYS HA 58 ILE HG1+ 4.00 (# 2624:20 Unique 2.27, 4.15 A)
&rst
ixpk= 2624, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 968, 969,
&end
#
# 18 ILE QD1 18 ILE HG1+ 5.50 (# 2626:20 Unique 2.23, 2.62 A)
&rst
ixpk= 2626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295, 296,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:2627 0 AMB 20-1:2627 3.00 (# 2627:20 Double 0.00, 0.00 )
&rst
ixpk= 2627, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
1845,1846,
igr2= 585, 586,1835,1836,
&end
#
# 36 LEU HB- 36 LEU HG 3.50 (# 2629:20 Unique 2.45, 2.81 A)
&rst
ixpk= 2629, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 585, 586,
&end
#
# 33 TYR HA 36 LEU MDX 5.00 (# 2630:20 Unique 2.27, 4.23 A)
&rst
ixpk= 2630, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 68 MET HA 80 VAL MGY 4.00 (# 2632:20 Unique 2.04, 4.20 A)
&rst
ixpk= 2632, nxpk= 20, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 10 ARG HE 10 ARG HD+ 3.50 (# 2636:20 Unique 2.28, 2.75 A)
&rst
ixpk= 2636, nxpk= 20, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 148, 149,
&end
#
# 102 ALA MB 113 ILE QD1 3.00 (# 2637:20 Unique 1.99, 3.47 A)
&rst
ixpk= 2637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1621,1622,1623,
igr2=1779,1780,1781,
&end
#
# 0 AMB 20-2:2638 30 MET HA 3.50 (# 2638:20 Single 0.00, 0.00 )
&rst
ixpk= 2638, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 470, 487,
&end
#
# 33 TYR HN 30 MET HA 5.00 (# 2639:20 Unique 3.93, 4.18 A)
&rst
ixpk= 2639, nxpk= 20, iat= 518, 472, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 LEU MDY 30 MET HB+ 7.50 (# 2640:20 Unique 6.42, 8.63 A)
&rst
ixpk= 2640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.35, r4=11.85,
igr1=1216,1217,1218,1220,1221,1222,
igr2= 474, 475,
&end
#
# 37 ASP HA 37 ASP HB- 3.00 (# 2641:20 Unique 2.24, 2.66 A)
&rst
ixpk= 2641, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 604, 605,
&end
#
# 113 ILE QD1 113 ILE HA 4.00 (# 2642:20 Unique 3.76, 4.49 A)
&rst
ixpk= 2642, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1779,1780,1781,
&end
#
# 43 PRO HD- 43 PRO HB+ 4.50 (# 2643:20 Unique 2.98, 3.70 A)
&rst
ixpk= 2643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 699, 700,
&end
#
# 43 PRO HA 43 PRO HB+ 3.00 (# 2644:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2644, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 699, 700,
&end
#
# 43 PRO HA 43 PRO HB- 3.00 (# 2645:20 Unique 2.30, 2.51 A)
&rst
ixpk= 2645, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 699, 700,
&end
#
# 43 PRO HA 43 PRO HD+ 4.50 (# 2647:20 Unique 3.60, 3.85 A)
&rst
ixpk= 2647, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 693, 694,
&end
#
# 105 VAL MGY 44 PHE HB- 3.00 (# 2648:20 Unique 2.37, 5.33 A)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1664,1665,1666,1668,1669,1670,
igr2= 710, 711,
&end
#
# 0 AMB 20-2:2649 45 MET HB- 6.00 (# 2649:20 Single 0.00, 0.00 )
&rst
ixpk= 2649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1035,1036,1037,1377,1378,
igr2= 730, 731,
&end
#
# 46 GLY HA+ 45 MET HG+ 5.50 (# 2651:20 Unique 3.03, 4.70 A)
&rst
ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 745, 746,
igr2= 733, 734,
&end
#
# 62 THR HA 47 LYS HA 3.00 (# 2652:20 Unique 2.68, 2.82 A)
&rst
ixpk= 2652, nxpk= 20, iat=1031, 752, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 47 LYS HG+ 47 LYS HB+ 3.00 (# 2653:20 Unique 2.30, 2.56 A)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 757, 758,
igr2= 754, 755,
&end
#
# 101 GLU HN 48 TRP HA 4.00 (# 2654:20 Unique 3.28, 3.44 A)
&rst
ixpk= 2654, nxpk= 20, iat=1602, 774, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2660 0 AMB 20-1:2660 3.00 (# 2660:20 Double 0.00, 0.00 )
&rst
ixpk= 2660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 825, 826, 825, 826,
igr2= 828, 829, 828, 829,
&end
#
# 50 LYS HG+ 50 LYS HD- 3.00 (# 2661:20 Unique 2.23, 2.62 A)
&rst
ixpk= 2661, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 825, 826,
igr2= 828, 829,
&end
#
# 0 AMB 20-2:2662 0 AMB 20-1:2662 4.00 (# 2662:20 Double 0.00, 0.00 )
&rst
ixpk= 2662, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 798, 979,
igr2= 999,1000, 999,1000,
&end
#
# 49 LYS HA 60 GLU HG- 4.70 (# 2663:20 Unique 3.14, 3.68 A)
&rst
ixpk= 2663, nxpk= 20, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 999,1000,
&end
#
# 82 VAL MGX 63 VAL HB 4.00 (# 2668:20 Unique 1.81, 3.13 A)
&rst
ixpk= 2668, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 81 GLU HA 94 THR MG2 4.00 (# 2669:20 Unique 2.44, 3.69 A)
&rst
ixpk= 2669, nxpk= 20, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1501,1502,1503,
&end
#
# 0 AMB 20-2:2670 33 TYR HA 3.00 (# 2670:20 Single 0.00, 0.00 )
&rst
ixpk= 2670, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 518, 600,
&end
#
# 34 TYR HN 33 TYR HA 4.00 (# 2671:20 Unique 3.56, 3.57 A)
&rst
ixpk= 2671, nxpk= 20, iat= 539, 520, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 42 PHE HD 67 GLY HA- 4.50 (# 2673:20 Unique 1.96, 3.65 A)
&rst
ixpk= 2673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 680, 688,
igr2=1111,1112,
&end
#
# 81 GLU HA 69 ALA HA 6.00 (# 2674:20 Unique 5.13, 5.42 A)
&rst
ixpk= 2674, nxpk= 20, iat=1316,1135, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 TYR HA 69 ALA MB 6.00 (# 2677:20 Unique 4.18, 6.50 A)
&rst
ixpk= 2677, nxpk= 20, iat=1279, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1137,1138,1139,
&end
#
# 0 AMB 20-2:2679 75 LEU MDX 5.50 (# 2679:20 Single 0.00, 0.00 )
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1188,1189,1230,1231,1147,1148,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 24 ASP HB- 75 LEU MDY 8.00 (# 2680:20 Unique 7.34, 9.77 A)
&rst
ixpk= 2680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
igr1= 376, 377,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 75 LEU HN 76 LYS HB- 6.00 (# 2681:20 Unique 4.05, 5.13 A)
&rst
ixpk= 2681, nxpk= 20, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1230,1231,
&end
#
# 77 ASP HN 78 MET ME 5.00 (# 2682:20 Unique 4.11, 5.26 A)
&rst
ixpk= 2682, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1271,1272,1273,
&end
#
# 80 VAL MGX 80 VAL HA 4.00 (# 2683:20 Unique 2.03, 3.55 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 82 VAL HN 81 GLU HB- 5.00 (# 2684:20 Unique 3.60, 4.13 A)
&rst
ixpk= 2684, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1318,1319,
&end
#
# 0 AMB 20-2:2685 0 AMB 20-1:2685 4.00 (# 2685:20 Double 0.00, 0.00 )
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
igr2=1321,1322,1321,1322,
&end
#
# 0 AMB 20-2:2688 84 ASP HB- 4.50 (# 2688:20 Single 0.00, 0.00 )
&rst
ixpk= 2688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1407,1408,1014,1015,1349,1350,1351,
igr2=1359,1360,
&end
#
# 85 ILE HB 85 ILE HG1+ 3.50 (# 2689:20 Unique 2.47, 2.76 A)
&rst
ixpk= 2689, nxpk= 20, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1377,1378,
&end
#
# 83 ALA MB 92 VAL MGX 4.00 (# 2690:20 Unique 1.92, 5.30 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1349,1350,1351,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 100 ILE HG1- 100 ILE QG2 4.00 (# 2694:20 Unique 2.37, 3.41 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1593,1594,
igr2=1589,1590,1591,
&end
#
# 105 VAL MGX 105 VAL HB 3.00 (# 2699:20 Unique 2.27, 2.63 A)
&rst
ixpk= 2699, nxpk= 20, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 109 THR HN 109 THR HA 4.00 (# 2700:20 Unique 2.77, 2.79 A)
&rst
ixpk= 2700, nxpk= 20, iat=1710,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 GLU HN 109 THR HA 4.00 (# 2701:20 Unique 3.39, 3.85 A)
&rst
ixpk= 2701, nxpk= 20, iat= 657,1712, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 GLU HB- 23 GLU HA 3.00 (# 2703:20 Unique 2.39, 2.73 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 361, 362,
&end
#
# 68 MET HA 68 MET ME 4.00 (# 2704:20 Unique 3.41, 4.52 A)
&rst
ixpk= 2704, nxpk= 20, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1127,1128,1129,
&end
#
# 81 GLU HB+ 92 VAL MGY 3.00 (# 2707:20 Unique 2.40, 5.63 A)
&rst
ixpk= 2707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1318,1319,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 116 TRP HZ2 120 LEU MDY 5.00 (# 2708:20 Unique 1.99, 3.78 A)
&rst
ixpk= 2708, nxpk= 20, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 122 ARG HN 122 ARG HB+ 3.00 (# 2709:20 Unique 2.07, 2.64 A)
&rst
ixpk= 2709, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1928,1929,
&end
#
# 116 TRP HZ2 120 LEU MDX 4.50 (# 2710:20 Unique 1.99, 3.78 A)
&rst
ixpk= 2710, nxpk= 20, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 0 AMB 20-2:2715 0 AMB 20-1:2715 6.00 (# 2715:20 Double 0.00, 0.00 )
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 960, 875, 254,
igr2= 981, 982, 981, 982, 270, 271,
&end
#
# 0 AMB 20-2:2716 59 GLU HB- 5.00 (# 2716:20 Single 0.00, 0.00 )
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 960, 875,
igr2= 981, 982,
&end
#
# 4 VAL HB 3 SER HA 6.20 (# 2721:20 Unique 5.11, 5.37 A)
&rst
ixpk= 2721, nxpk= 20, iat= 46, 33, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 3 SER HN 3 SER HB+ 4.00 (# 2722:20 Unique 2.75, 3.56 A)
&rst
ixpk= 2722, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 35, 36,
&end
#
# 6 ARG HG+ 6 ARG HA 4.00 (# 2724:20 Unique 3.47, 3.86 A)
&rst
ixpk= 2724, nxpk= 20, iat= -1, 75, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 80, 81,
&end
#
# 6 ARG HG+ 6 ARG HB- 3.00 (# 2727:20 Unique 2.26, 2.63 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 80, 81,
igr2= 77, 78,
&end
#
# 8 GLU HA 8 GLU HB- 3.00 (# 2729:20 Unique 2.35, 2.69 A)
&rst
ixpk= 2729, nxpk= 20, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 113, 114,
&end
#
# 10 ARG HB- 10 ARG HA 3.50 (# 2731:20 Unique 2.31, 2.77 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 142, 143,
&end
#
# 10 ARG HA 10 ARG HB+ 3.50 (# 2733:20 Unique 2.31, 2.77 A)
&rst
ixpk= 2733, nxpk= 20, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 142, 143,
&end
#
# 11 GLU HN 11 GLU HG+ 3.80 (# 2734:20 Unique 1.97, 3.12 A)
&rst
ixpk= 2734, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 169, 170,
&end
#
# 10 ARG HG- 11 GLU HG- 6.00 (# 2736:20 Unique 3.73, 6.32 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 145, 146,
igr2= 169, 170,
&end
#
# 12 HIS HB- 12 HIS HA 3.00 (# 2739:20 Unique 2.30, 2.74 A)
&rst
ixpk= 2739, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 181, 182,
&end
#
# 12 HIS HB+ 12 HIS HA 3.00 (# 2740:20 Unique 2.30, 2.74 A)
&rst
ixpk= 2740, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 181, 182,
&end
#
# 16 THR MG2 12 HIS HA 4.00 (# 2741:20 Unique 3.31, 4.36 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 258, 259, 260,
&end
#
# 15 GLU HB- 12 HIS HA 4.00 (# 2742:20 Unique 2.48, 3.29 A)
&rst
ixpk= 2742, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 241, 242,
&end
#
# 15 GLU HG+ 12 HIS HA 5.00 (# 2743:20 Unique 3.42, 4.24 A)
&rst
ixpk= 2743, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 244, 245,
&end
#
# 15 GLU HB+ 12 HIS HA 4.50 (# 2744:20 Unique 2.48, 3.29 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 241, 242,
&end
#
# 12 HIS HA 12 HIS HB+ 3.50 (# 2749:20 Unique 2.30, 2.74 A)
&rst
ixpk= 2749, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 181, 182,
&end
#
# 12 HIS HA 12 HIS HB- 3.50 (# 2750:20 Unique 2.30, 2.74 A)
&rst
ixpk= 2750, nxpk= 20, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 181, 182,
&end
#
# 0 AMB 20-2:2751 0 AMB 20-1:2751 5.00 (# 2751:20 Double 0.00, 0.00 )
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 111, 126,
igr2= 181, 182, 181, 182,
&end
#
# 0 AMB 20-2:2752 12 HIS HB- 6.00 (# 2752:20 Single 0.00, 0.00 )
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 111, 126,
igr2= 181, 182,
&end
#
# 14 ILE HN 10 ARG HA 4.00 (# 2753:20 Unique 2.30, 2.53 A)
&rst
ixpk= 2753, nxpk= 20, iat= 218, 140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 ARG HD+ 13 ARG HA 4.00 (# 2755:20 Unique 2.03, 4.03 A)
&rst
ixpk= 2755, nxpk= 20, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 204, 205,
&end
#
# 13 ARG HB- 0 AMB 20-1:2756 3.00 (# 2756:20 Single 0.00, 0.00 )
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 198, 199,
igr2= 196, 140,
&end
#
# 0 AMB 20-2:2757 0 AMB 20-1:2757 5.00 (# 2757:20 Double 0.00, 0.00 )
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 222, 273, 274,
igr2= 140, 196,
&end
#
# 10 ARG HB+ 10 ARG HA 3.00 (# 2758:20 Unique 2.31, 2.77 A)
&rst
ixpk= 2758, nxpk= 20, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 142, 143,
&end
#
# 13 ARG HG- 13 ARG HA 4.00 (# 2759:20 Unique 2.48, 3.18 A)
&rst
ixpk= 2759, nxpk= 20, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 201, 202,
&end
#
# 14 ILE HN 13 ARG HB- 3.00 (# 2760:20 Unique 1.83, 2.50 A)
&rst
ixpk= 2760, nxpk= 20, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 198, 199,
&end
#
# 0 AMB 20-2:2761 0 AMB 20-1:2761 3.00 (# 2761:20 Double 0.00, 0.00 )
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 883, 884, 204, 205,
igr2= 877, 878, 198, 199,
&end
#
# 0 AMB 20-2:2762 0 AMB 20-1:2762 3.00 (# 2762:20 Double 0.00, 0.00 )
&rst
ixpk= 2762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 883, 884, 204, 205, 148, 149,
igr2= 877, 878, 198, 199, 145, 146,
&end
#
# 13 ARG HG+ 13 ARG HB+ 3.20 (# 2763:20 Unique 2.23, 2.68 A)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 201, 202,
igr2= 198, 199,
&end
#
# 13 ARG HA 13 ARG HG+ 4.00 (# 2764:20 Unique 2.48, 3.18 A)
&rst
ixpk= 2764, nxpk= 20, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 201, 202,
&end
#
# 18 ILE HG1- 14 ILE HA 5.50 (# 2765:20 Unique 1.97, 3.35 A)
&rst
ixpk= 2765, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 18 ILE HG1+ 14 ILE HA 5.50 (# 2766:20 Unique 1.97, 3.35 A)
&rst
ixpk= 2766, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 15 GLU HB- 14 ILE HB 5.00 (# 2767:20 Unique 4.76, 5.43 A)
&rst
ixpk= 2767, nxpk= 20, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 241, 242,
&end
#
# 100 ILE QD1 100 ILE HB 4.00 (# 2768:20 Unique 2.06, 3.20 A)
&rst
ixpk= 2768, nxpk= 20, iat= -1,1587, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1596,1597,1598,
&end
#
# 19 ILE QG2 14 ILE QG2 4.00 (# 2772:20 Unique 4.86, 7.74 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 306, 307, 308,
igr2= 224, 225, 226,
&end
#
# 0 AMB 20-2:2773 14 ILE QG2 3.00 (# 2773:20 Single 0.00, 0.00 )
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 313, 314, 315, 142, 143,
igr2= 224, 225, 226,
&end
#
# 10 ARG HN 8 GLU HA 4.00 (# 2774:20 Unique 3.02, 3.17 A)
&rst
ixpk= 2774, nxpk= 20, iat= 138, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 0 AMB 20-2:2775 0 AMB 20-1:2775 3.00 (# 2775:20 Double 0.00, 0.00 )
&rst
ixpk= 2775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 237, 470,
igr2= 239, 423,
&end
#
# 18 ILE HN 15 GLU HA 5.50 (# 2776:20 Unique 3.81, 4.03 A)
&rst
ixpk= 2776, nxpk= 20, iat= 281, 239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HN 15 GLU HA 4.50 (# 2777:20 Unique 3.67, 3.98 A)
&rst
ixpk= 2777, nxpk= 20, iat= 319, 239, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 GLU HA 15 GLU HG- 3.00 (# 2779:20 Unique 2.80, 3.30 A)
&rst
ixpk= 2779, nxpk= 20, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 244, 245,
&end
#
# 16 THR MG2 15 GLU HG- 3.00 (# 2780:20 Unique 1.98, 3.19 A)
&rst
ixpk= 2780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 258, 259, 260,
igr2= 244, 245,
&end
#
# 18 ILE HG1+ 17 GLU HB+ 6.00 (# 2781:20 Unique 2.84, 4.19 A)
&rst
ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 291, 292,
igr2= 270, 271,
&end
#
# 18 ILE HG1+ 17 GLU HB- 6.00 (# 2782:20 Unique 2.84, 4.19 A)
&rst
ixpk= 2782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 291, 292,
igr2= 270, 271,
&end
#
# 18 ILE QD1 17 GLU HB+ 7.00 (# 2783:20 Unique 4.01, 5.80 A)
&rst
ixpk= 2783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 294, 295, 296,
igr2= 270, 271,
&end
#
# 18 ILE QD1 17 GLU HB- 7.00 (# 2784:20 Unique 4.01, 5.80 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 294, 295, 296,
igr2= 270, 271,
&end
#
# 17 GLU HN 17 GLU HG+ 6.00 (# 2785:20 Unique 2.90, 3.52 A)
&rst
ixpk= 2785, nxpk= 20, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 273, 274,
&end
#
# 18 ILE HG1+ 18 ILE QD1 5.00 (# 2786:20 Unique 2.23, 2.62 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 291, 292,
igr2= 294, 295, 296,
&end
#
# 18 ILE QG2 18 ILE QD1 5.00 (# 2787:20 Unique 1.94, 3.59 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 287, 288, 289,
igr2= 294, 295, 296,
&end
#
# 22 ALA HN 19 ILE HA 5.00 (# 2789:20 Unique 3.81, 3.99 A)
&rst
ixpk= 2789, nxpk= 20, iat= 347, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 ILE HG1- 19 ILE HA 4.00 (# 2790:20 Unique 3.16, 3.76 A)
&rst
ixpk= 2790, nxpk= 20, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 310, 311,
&end
#
# 19 ILE HA 19 ILE HB 3.00 (# 2791:20 Unique 2.53, 2.66 A)
&rst
ixpk= 2791, nxpk= 20, iat= 302, 304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 GLU HA 26 GLU HG+ 3.00 (# 2792:20 Unique 2.20, 2.84 A)
&rst
ixpk= 2792, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 413, 414,
&end
#
# 19 ILE QD1 19 ILE HB 3.00 (# 2793:20 Unique 2.20, 3.54 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 313, 314, 315,
&end
#
# 18 ILE QG2 19 ILE HB 7.00 (# 2794:20 Unique 4.54, 5.95 A)
&rst
ixpk= 2794, nxpk= 20, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 287, 288, 289,
&end
#
# 19 ILE HN 20 VAL HA 5.00 (# 2795:20 Unique 4.08, 4.42 A)
&rst
ixpk= 2795, nxpk= 20, iat= 300, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 0 AMB 20-2:2797 0 AMB 20-1:2797 4.00 (# 2797:20 Double 0.00, 0.00 )
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=1840,1841,1842,1844,1845,1846,1304,1305,1306,1308,
1309,1310, 306, 307, 308,
igr2=1564,1565, 321,
&end
#
# 0 AMB 20-2:2798 98 SER HB- 4.00 (# 2798:20 Single 0.00, 0.00 )
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,
igr2=1564,1565,
&end
#
# 22 ALA HN 20 VAL MGX 6.00 (# 2799:20 Unique 3.47, 5.71 A)
&rst
ixpk= 2799, nxpk= 20, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 16 THR HA 20 VAL MGX 4.00 (# 2800:20 Unique 1.97, 4.29 A)
&rst
ixpk= 2800, nxpk= 20, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 21 ASP HB+ 20 VAL MGX 4.00 (# 2801:20 Unique 2.31, 5.54 A)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 339, 340,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 18 ILE HN 20 VAL MGY 7.00 (# 2802:20 Unique 3.38, 5.97 A)
&rst
ixpk= 2802, nxpk= 20, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 325, 326, 327, 329, 330, 331,
&end
#
# 0 AMB 20-2:2803 0 AMB 20-1:2803 5.50 (# 2803:20 Double 0.00, 0.00 )
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1047, 241, 242,
igr2=1464,1465,1466,1468,1469,1470, 325, 326, 327, 329,
330, 331,
&end
#
# 21 ASP HN 22 ALA MB 5.50 (# 2804:20 Unique 3.80, 4.89 A)
&rst
ixpk= 2804, nxpk= 20, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 351, 352, 353,
&end
#
# 23 GLU HN 23 GLU HB- 3.50 (# 2805:20 Unique 2.59, 3.25 A)
&rst
ixpk= 2805, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 361, 362,
&end
#
# 24 ASP HN 23 GLU HB+ 4.00 (# 2806:20 Unique 3.31, 3.83 A)
&rst
ixpk= 2806, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 361, 362,
&end
#
# 24 ASP HN 23 GLU HB- 3.00 (# 2807:20 Unique 3.31, 3.83 A)
&rst
ixpk= 2807, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 361, 362,
&end
#
# 23 GLU HA 23 GLU HB+ 3.00 (# 2808:20 Unique 2.39, 2.73 A)
&rst
ixpk= 2808, nxpk= 20, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 361, 362,
&end
#
# 24 ASP HN 24 ASP HB+ 3.50 (# 2809:20 Unique 2.13, 2.79 A)
&rst
ixpk= 2809, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 376, 377,
&end
#
# 25 LYS HN 25 LYS HA 3.50 (# 2810:20 Unique 2.73, 2.76 A)
&rst
ixpk= 2810, nxpk= 20, iat= 384, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 PHE HB- 25 LYS HA 4.00 (# 2811:20 Unique 2.61, 4.41 A)
&rst
ixpk= 2811, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2002,2003,
&end
#
# 0 AMB 20-2:2812 25 LYS HA 4.50 (# 2812:20 Single 0.00, 0.00 )
&rst
ixpk= 2812, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 391, 392,1986,1987,
&end
#
# 25 LYS HA 25 LYS HG- 4.50 (# 2813:20 Unique 3.57, 3.91 A)
&rst
ixpk= 2813, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 391, 392,
&end
#
# 26 GLU HG+ 26 GLU HA 3.00 (# 2814:20 Unique 2.20, 2.84 A)
&rst
ixpk= 2814, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 413, 414,
&end
#
# 26 GLU HB+ 26 GLU HA 3.00 (# 2815:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2815, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 410, 411,
&end
#
# 26 GLU HB- 26 GLU HA 3.00 (# 2816:20 Unique 2.43, 2.77 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 410, 411,
&end
#
# 0 AMB 20-2:2817 26 GLU HA 3.00 (# 2817:20 Single 0.00, 0.00 )
&rst
ixpk= 2817, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1216,1217,1218,1220,1221,1222, 464, 465, 466,
&end
#
# 75 LEU MDX 26 GLU HA 3.00 (# 2818:20 Unique 2.66, 4.89 A)
&rst
ixpk= 2818, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1216,1217,1218,1220,1221,1222,
&end
#
# 22 ALA HA 27 GLU HG- 4.50 (# 2820:20 Unique 3.16, 3.86 A)
&rst
ixpk= 2820, nxpk= 20, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 428, 429,
&end
#
# 0 AMB 20-2:2821 27 GLU HG- 3.00 (# 2821:20 Single 0.00, 0.00 )
&rst
ixpk= 2821, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 425, 426, 410, 411,
igr2= 428, 429,
&end
#
# 0 AMB 20-2:2822 28 ARG HA 5.50 (# 2822:20 Single 0.00, 0.00 )
&rst
ixpk= 2822, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 372, 347,
&end
#
# 32 TRP HN 28 ARG HA 4.80 (# 2823:20 Unique 4.02, 4.20 A)
&rst
ixpk= 2823, nxpk= 20, iat= 494, 438, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 0 AMB 20-2:2826 28 ARG HA 5.00 (# 2826:20 Single 0.00, 0.00 )
&rst
ixpk= 2826, nxpk= 20, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 464, 465, 466,1267,1268,
&end
#
# 30 MET ME 29 ALA MB 3.00 (# 2828:20 Unique 2.20, 3.64 A)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 481, 482, 483,
igr2= 464, 465, 466,
&end
#
# 34 TYR HN 30 MET HA 4.50 (# 2829:20 Unique 3.62, 3.90 A)
&rst
ixpk= 2829, nxpk= 20, iat= 539, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 MET HG+ 30 MET HA 3.00 (# 2830:20 Unique 3.12, 3.48 A)
&rst
ixpk= 2830, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 477, 478,
&end
#
# 0 AMB 20-2:2831 30 MET HA 4.00 (# 2831:20 Single 0.00, 0.00 )
&rst
ixpk= 2831, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 477, 478,1161,1162,
&end
#
# 30 MET HB- 30 MET HA 3.50 (# 2832:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2832, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 474, 475,
&end
#
# 30 MET HA 30 MET HB+ 3.50 (# 2833:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2833, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 474, 475,
&end
#
# 0 AMB 20-2:2834 30 MET HB- 5.00 (# 2834:20 Single 0.00, 0.00 )
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 464, 465, 466,1216,1217,1218,1220,1221,1222,
igr2= 474, 475,
&end
#
# 30 MET HA 30 MET HG+ 4.00 (# 2835:20 Unique 3.12, 3.48 A)
&rst
ixpk= 2835, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 477, 478,
&end
#
# 30 MET HA 30 MET HG- 4.00 (# 2836:20 Unique 3.12, 3.48 A)
&rst
ixpk= 2836, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 477, 478,
&end
#
# 27 GLU HA 30 MET HG+ 4.00 (# 2837:20 Unique 2.18, 2.45 A)
&rst
ixpk= 2837, nxpk= 20, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 477, 478,
&end
#
# 31 GLY HN 31 GLY HA+ 3.00 (# 2839:20 Unique 2.29, 2.55 A)
&rst
ixpk= 2839, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 489, 490,
&end
#
# 32 TRP HN 31 GLY HA+ 3.50 (# 2840:20 Unique 2.52, 3.09 A)
&rst
ixpk= 2840, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 32 TRP HN 31 GLY HA- 3.50 (# 2841:20 Unique 2.52, 3.09 A)
&rst
ixpk= 2841, nxpk= 20, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 489, 490,
&end
#
# 31 GLY HN 31 GLY HA- 3.00 (# 2842:20 Unique 2.29, 2.55 A)
&rst
ixpk= 2842, nxpk= 20, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 489, 490,
&end
#
# 22 ALA MB 31 GLY HA+ 5.00 (# 2843:20 Unique 3.00, 4.46 A)
&rst
ixpk= 2843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 351, 352, 353,
igr2= 489, 490,
&end
#
# 22 ALA MB 31 GLY HA- 5.00 (# 2844:20 Unique 3.00, 4.46 A)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 351, 352, 353,
igr2= 489, 490,
&end
#
# 19 ILE QG2 31 GLY HA+ 4.50 (# 2845:20 Unique 1.92, 4.00 A)
&rst
ixpk= 2845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 306, 307, 308,
igr2= 489, 490,
&end
#
# 19 ILE QG2 31 GLY HA- 4.50 (# 2846:20 Unique 1.92, 4.00 A)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 306, 307, 308,
igr2= 489, 490,
&end
#
# 18 ILE QG2 31 GLY HA+ 7.00 (# 2847:20 Unique 3.53, 5.14 A)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 287, 288, 289,
igr2= 489, 490,
&end
#
# 35 TYR HN 32 TRP HA 4.50 (# 2848:20 Unique 3.82, 3.95 A)
&rst
ixpk= 2848, nxpk= 20, iat= 560, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 LEU MDX 32 TRP HA 5.00 (# 2852:20 Unique 3.64, 6.40 A)
&rst
ixpk= 2852, nxpk= 20, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 590, 591, 592, 594, 595, 596,
&end
#
# 32 TRP HA 32 TRP HB+ 3.50 (# 2854:20 Unique 2.58, 2.82 A)
&rst
ixpk= 2854, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 32 TRP HA 32 TRP HB- 3.50 (# 2855:20 Unique 2.58, 2.82 A)
&rst
ixpk= 2855, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 498, 499,
&end
#
# 33 TYR HD 33 TYR HA 4.00 (# 2856:20 Unique 2.14, 3.48 A)
&rst
ixpk= 2856, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 526, 535,
&end
#
# 33 TYR HD 33 TYR HB- 3.50 (# 2857:20 Unique 2.33, 3.07 A)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 526, 535,
igr2= 522, 523,
&end
#
# 33 TYR HD 33 TYR HB+ 3.50 (# 2858:20 Unique 2.33, 3.07 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 526, 535,
igr2= 522, 523,
&end
#
# 30 MET HA 33 TYR HB- 4.00 (# 2859:20 Unique 2.87, 3.81 A)
&rst
ixpk= 2859, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 522, 523,
&end
#
# 33 TYR HA 33 TYR HB- 3.50 (# 2860:20 Unique 2.32, 2.69 A)
&rst
ixpk= 2860, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 522, 523,
&end
#
# 78 MET ME 33 TYR HB- 4.00 (# 2861:20 Unique 1.82, 3.55 A)
&rst
ixpk= 2861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1271,1272,1273,
igr2= 522, 523,
&end
#
# 78 MET ME 33 TYR HB+ 4.00 (# 2862:20 Unique 1.82, 3.55 A)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1271,1272,1273,
igr2= 522, 523,
&end
#
# 30 MET ME 33 TYR HB+ 6.00 (# 2863:20 Unique 3.79, 5.15 A)
&rst
ixpk= 2863, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 481, 482, 483,
igr2= 522, 523,
&end
#
# 30 MET ME 33 TYR HB- 6.00 (# 2864:20 Unique 3.79, 5.15 A)
&rst
ixpk= 2864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 481, 482, 483,
igr2= 522, 523,
&end
#
# 30 MET HA 33 TYR HB+ 4.80 (# 2865:20 Unique 2.87, 3.81 A)
&rst
ixpk= 2865, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 522, 523,
&end
#
# 34 TYR HN 33 TYR HB- 3.50 (# 2866:20 Unique 2.27, 3.09 A)
&rst
ixpk= 2866, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 522, 523,
&end
#
# 33 TYR HN 33 TYR HB- 3.00 (# 2867:20 Unique 2.29, 2.54 A)
&rst
ixpk= 2867, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 522, 523,
&end
#
# 34 TYR HD 34 TYR HA 4.00 (# 2868:20 Unique 2.59, 3.37 A)
&rst
ixpk= 2868, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 547, 556,
&end
#
# 34 TYR HN 34 TYR HA 3.50 (# 2869:20 Unique 2.68, 2.71 A)
&rst
ixpk= 2869, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2870 34 TYR HA 5.50 (# 2870:20 Single 0.00, 0.00 )
&rst
ixpk= 2870, nxpk= 20, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 549, 554, 568, 577,
&end
#
# 0 AMB 20-2:2871 35 TYR HA 4.00 (# 2871:20 Single 0.00, 0.00 )
&rst
ixpk= 2871, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 624, 612,
&end
#
# 0 AMB 20-2:2872 35 TYR HA 6.00 (# 2872:20 Single 0.00, 0.00 )
&rst
ixpk= 2872, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 604, 605, 588,
&end
#
# 18 ILE HG1+ 35 TYR HA 7.00 (# 2873:20 Unique 6.16, 7.54 A)
&rst
ixpk= 2873, nxpk= 20, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 291, 292,
&end
#
# 35 TYR HA 35 TYR HB- 3.20 (# 2874:20 Unique 2.24, 2.66 A)
&rst
ixpk= 2874, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 564, 565,
&end
#
# 32 TRP HA 35 TYR HB+ 5.00 (# 2875:20 Unique 3.19, 4.34 A)
&rst
ixpk= 2875, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 564, 565,
&end
#
# 32 TRP HA 35 TYR HB- 5.00 (# 2876:20 Unique 3.19, 4.34 A)
&rst
ixpk= 2876, nxpk= 20, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 564, 565,
&end
#
# 35 TYR HN 35 TYR HB- 3.50 (# 2877:20 Unique 2.12, 3.00 A)
&rst
ixpk= 2877, nxpk= 20, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 564, 565,
&end
#
# 36 LEU HN 35 TYR HB+ 4.00 (# 2878:20 Unique 2.68, 3.58 A)
&rst
ixpk= 2878, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 564, 565,
&end
#
# 36 LEU HG 36 LEU HB- 3.50 (# 2879:20 Unique 2.45, 2.81 A)
&rst
ixpk= 2879, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 585, 586,
&end
#
# 36 LEU HG 36 LEU HB+ 3.50 (# 2880:20 Unique 2.45, 2.81 A)
&rst
ixpk= 2880, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 585, 586,
&end
#
# 112 ALA HN 36 LEU HG 6.00 (# 2881:20 Unique 6.15, 7.25 A)
&rst
ixpk= 2881, nxpk= 20, iat=1756, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 0 AMB 20-2:2883 36 LEU HG 6.00 (# 2883:20 Single 0.00, 0.00 )
&rst
ixpk= 2883, nxpk= 20, iat= -1, 588, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 676, 677, 498, 499, 564, 565,
&end
#
# 116 TRP HB+ 36 LEU MDX 5.00 (# 2884:20 Unique 2.74, 5.26 A)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1811,1812,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 116 TRP HB- 36 LEU MDX 5.00 (# 2885:20 Unique 2.74, 5.26 A)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1811,1812,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 78 MET HG+ 36 LEU MDX 5.00 (# 2886:20 Unique 1.94, 4.21 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1267,1268,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 117 LEU HG 117 LEU MDY 3.00 (# 2887:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2887, nxpk= 20, iat=1838, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 117 LEU HB+ 117 LEU MDY 3.00 (# 2888:20 Unique 2.08, 3.26 A)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1835,1836,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 108 ASP HB+ 39 THR MG2 4.00 (# 2890:20 Unique 1.95, 3.61 A)
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1702,1703,
igr2= 630, 631, 632,
&end
#
# 40 LEU HN 37 ASP HA 4.00 (# 2891:20 Unique 3.05, 3.52 A)
&rst
ixpk= 2891, nxpk= 20, iat= 638, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 39 THR MG2 108 ASP HA 4.50 (# 2894:20 Unique 3.13, 3.83 A)
&rst
ixpk= 2894, nxpk= 20, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 630, 631, 632,
&end
#
# 68 MET HB- 37 ASP HA 6.00 (# 2895:20 Unique 4.10, 5.12 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1120,1121,
&end
#
# 38 ASP HB+ 38 ASP HA 3.00 (# 2896:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2896, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 616, 617,
&end
#
# 38 ASP HB- 38 ASP HA 3.00 (# 2897:20 Unique 2.38, 2.75 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1, 614, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 616, 617,
&end
#
# 35 TYR HA 38 ASP HB- 3.50 (# 2898:20 Unique 2.35, 3.08 A)
&rst
ixpk= 2898, nxpk= 20, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 616, 617,
&end
#
# 0 AMB 20-2:2899 38 ASP HB- 3.00 (# 2899:20 Single 0.00, 0.00 )
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 612, 624,
igr2= 616, 617,
&end
#
# 0 AMB 20-2:2900 39 THR HB 5.50 (# 2900:20 Single 0.00, 0.00 )
&rst
ixpk= 2900, nxpk= 20, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 562, 602,
&end
#
# 0 AMB 20-2:2901 39 THR HB 6.00 (# 2901:20 Single 0.00, 0.00 )
&rst
ixpk= 2901, nxpk= 20, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 645,1127,1128,1129, 661, 662,
&end
#
# 0 AMB 20-2:2902 117 LEU MDY 4.00 (# 2902:20 Single 0.00, 0.00 )
&rst
ixpk= 2902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1583,1571,
igr2=1840,1841,1842,1844,1845,1846,
&end
#
# 0 AMB 20-2:2903 0 AMB 20-1:2903 6.00 (# 2903:20 Double 0.00, 0.00 )
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
igr1=1809,1619,1424,
igr2= 590, 591, 592, 594, 595, 596,1840,1841,1842,1844,
1845,1846,1049,1050,1051,1053,1054,1055,
&end
#
# 39 THR HB 39 THR MG2 3.00 (# 2904:20 Unique 2.26, 2.64 A)
&rst
ixpk= 2904, nxpk= 20, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 630, 631, 632,
&end
#
# 41 GLU HN 40 LEU HA 3.00 (# 2905:20 Unique 2.25, 2.38 A)
&rst
ixpk= 2905, nxpk= 20, iat= 657, 640, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 LEU MDY 40 LEU HA 3.00 (# 2908:20 Unique 1.96, 3.81 A)
&rst
ixpk= 2908, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 113 ILE QD1 40 LEU HA 5.00 (# 2909:20 Unique 3.52, 5.41 A)
&rst
ixpk= 2909, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1779,1780,1781,
&end
#
# 40 LEU HB- 40 LEU HA 3.00 (# 2910:20 Unique 2.57, 2.82 A)
&rst
ixpk= 2910, nxpk= 20, iat= -1, 640, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 642, 643,
&end
#
# 40 LEU HG 40 LEU HB+ 3.00 (# 2911:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2911, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 642, 643,
&end
#
# 40 LEU HG 40 LEU HB- 3.00 (# 2912:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2912, nxpk= 20, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 642, 643,
&end
#
# 0 AMB 20-2:2913 40 LEU MDX 6.00 (# 2913:20 Single 0.00, 0.00 )
&rst
ixpk= 2913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1714, 520,
igr2= 647, 648, 649, 651, 652, 653,
&end
#
# 40 LEU HB+ 40 LEU HG 3.00 (# 2914:20 Unique 2.22, 2.69 A)
&rst
ixpk= 2914, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 642, 643,
&end
#
# 0 AMB 20-2:2915 40 LEU HG 3.00 (# 2915:20 Single 0.00, 0.00 )
&rst
ixpk= 2915, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 647, 648, 649, 651, 652, 653,1776,1777,
&end
#
# 40 LEU MDX 40 LEU HG 3.00 (# 2916:20 Unique 2.21, 2.63 A)
&rst
ixpk= 2916, nxpk= 20, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 647, 648, 649, 651, 652, 653,
&end
#
# 0 AMB 20-2:2917 41 GLU HA 3.00 (# 2917:20 Single 0.00, 0.00 )
&rst
ixpk= 2917, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 657, 672,
&end
#
# 40 LEU HA 41 GLU HA 5.00 (# 2920:20 Unique 4.32, 4.41 A)
&rst
ixpk= 2920, nxpk= 20, iat= 640, 659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 GLU HG+ 41 GLU HA 4.00 (# 2921:20 Unique 3.55, 3.75 A)
&rst
ixpk= 2921, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 664, 665,
&end
#
# 41 GLU HB+ 41 GLU HA 3.00 (# 2922:20 Unique 2.26, 2.45 A)
&rst
ixpk= 2922, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 661, 662,
&end
#
# 41 GLU HB- 41 GLU HA 3.00 (# 2923:20 Unique 2.26, 2.45 A)
&rst
ixpk= 2923, nxpk= 20, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 661, 662,
&end
#
# 41 GLU HG+ 41 GLU HB- 3.00 (# 2924:20 Unique 2.21, 2.70 A)
&rst
ixpk= 2924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 664, 665,
igr2= 661, 662,
&end
#
# 41 GLU HG+ 41 GLU HB+ 3.00 (# 2925:20 Unique 2.21, 2.70 A)
&rst
ixpk= 2925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 664, 665,
igr2= 661, 662,
&end
#
# 42 PHE HN 42 PHE HA 3.00 (# 2926:20 Unique 2.55, 2.64 A)
&rst
ixpk= 2926, nxpk= 20, iat= 672, 674, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 PHE HN 42 PHE HA 3.50 (# 2927:20 Unique 2.76, 2.89 A)
&rst
ixpk= 2927, nxpk= 20, iat= 706, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 PHE HD 42 PHE HA 4.00 (# 2928:20 Unique 1.95, 4.02 A)
&rst
ixpk= 2928, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 680, 688,
&end
#
# 43 PRO HA 42 PHE HA 2.80 (# 2930:20 Unique 1.96, 2.05 A)
&rst
ixpk= 2930, nxpk= 20, iat= 702, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 PHE HB+ 42 PHE HA 3.00 (# 2932:20 Unique 2.26, 2.51 A)
&rst
ixpk= 2932, nxpk= 20, iat= -1, 674, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 676, 677,
&end
#
# 43 PRO HA 42 PHE HB- 4.00 (# 2933:20 Unique 2.60, 3.40 A)
&rst
ixpk= 2933, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 676, 677,
&end
#
# 42 PHE HN 42 PHE HB+ 4.00 (# 2934:20 Unique 2.15, 2.86 A)
&rst
ixpk= 2934, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 676, 677,
&end
#
# 42 PHE HN 42 PHE HB- 3.50 (# 2935:20 Unique 2.15, 2.86 A)
&rst
ixpk= 2935, nxpk= 20, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 676, 677,
&end
#
# 42 PHE HD 43 PRO HA 4.00 (# 2936:20 Unique 2.76, 4.47 A)
&rst
ixpk= 2936, nxpk= 20, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 680, 688,
&end
#
# 66 LEU HA 43 PRO HA 4.00 (# 2937:20 Unique 3.03, 3.48 A)
&rst
ixpk= 2937, nxpk= 20, iat=1092, 702, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 44 PHE HN 43 PRO HB+ 4.00 (# 2938:20 Unique 2.81, 3.29 A)
&rst
ixpk= 2938, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 699, 700,
&end
#
# 66 LEU MDX 43 PRO HB- 3.00 (# 2939:20 Unique 3.05, 5.83 A)
&rst
ixpk= 2939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1099,1100,1101,1103,1104,1105,
igr2= 699, 700,
&end
#
# 43 PRO HB+ 43 PRO HG- 3.00 (# 2940:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 699, 700,
igr2= 696, 697,
&end
#
# 43 PRO HB- 43 PRO HG- 3.00 (# 2941:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 699, 700,
igr2= 696, 697,
&end
#
# 43 PRO HB- 43 PRO HG+ 3.00 (# 2942:20 Unique 2.32, 2.58 A)
&rst
ixpk= 2942, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 699, 700,
igr2= 696, 697,
&end
#
# 66 LEU MDX 43 PRO HG+ 6.00 (# 2943:20 Unique 4.76, 7.50 A)
&rst
ixpk= 2943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1099,1100,1101,1103,1104,1105,
igr2= 696, 697,
&end
#
# 43 PRO HA 43 PRO HG+ 4.50 (# 2944:20 Unique 3.85, 3.94 A)
&rst
ixpk= 2944, nxpk= 20, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 696, 697,
&end
#
# 44 PHE HN 44 PHE HB- 4.00 (# 2945:20 Unique 3.06, 3.63 A)
&rst
ixpk= 2945, nxpk= 20, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 710, 711,
&end
#
# 44 PHE HD 44 PHE HB- 4.00 (# 2946:20 Unique 2.35, 3.03 A)
&rst
ixpk= 2946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 714, 722,
igr2= 710, 711,
&end
#
# 46 GLY HA+ 45 MET HA 5.00 (# 2947:20 Unique 4.31, 4.38 A)
&rst
ixpk= 2947, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 745, 746,
&end
#
# 64 GLU HB- 45 MET HA 5.00 (# 2948:20 Unique 3.19, 4.35 A)
&rst
ixpk= 2948, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1063,1064,
&end
#
# 0 AMB 20-2:2950 45 MET HA 6.00 (# 2950:20 Single 0.00, 0.00 )
&rst
ixpk= 2950, nxpk= 20, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=1035,1036,1037,1377,1378,
&end
#
# 0 AMB 20-2:2951 45 MET HB- 4.00 (# 2951:20 Single 0.00, 0.00 )
&rst
ixpk= 2951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1631, 760, 761,
igr2= 730, 731,
&end
#
# 0 AMB 20-2:2952 45 MET HG- 6.00 (# 2952:20 Single 0.00, 0.00 )
&rst
ixpk= 2952, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1035,1036,1037,1377,1378,
igr2= 733, 734,
&end
#
# 47 LYS HB+ 47 LYS HA 3.00 (# 2953:20 Unique 2.73, 2.85 A)
&rst
ixpk= 2953, nxpk= 20, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 754, 755,
&end
#
# 47 LYS HE+ 47 LYS HG+ 3.00 (# 2954:20 Unique 1.94, 3.14 A)
&rst
ixpk= 2954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 763, 764,
igr2= 757, 758,
&end
#
# 60 GLU HG+ 47 LYS HG- 4.50 (# 2955:20 Unique 2.48, 3.91 A)
&rst
ixpk= 2955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 999,1000,
igr2= 757, 758,
&end
#
# 0 AMB 20-2:2956 0 AMB 20-1:2956 3.50 (# 2956:20 Double 0.00, 0.00 )
&rst
ixpk= 2956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 996, 997, 754, 755, 877, 878,
igr2= 757, 758, 757, 758, 904, 905,
&end
#
# 49 LYS HB+ 48 TRP HA 5.00 (# 2958:20 Unique 4.82, 5.31 A)
&rst
ixpk= 2958, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 800, 801,
&end
#
# 0 AMB 20-2:2959 48 TRP HA 5.00 (# 2959:20 Single 0.00, 0.00 )
&rst
ixpk= 2959, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1589,1590,1591, 822, 823,
&end
#
# 63 VAL MGX 48 TRP HA 5.50 (# 2960:20 Unique 4.27, 6.02 A)
&rst
ixpk= 2960, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 61 LYS HB- 48 TRP HB+ 3.50 (# 2961:20 Unique 1.91, 2.86 A)
&rst
ixpk= 2961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1011,1012,
igr2= 776, 777,
&end
#
# 61 LYS HB+ 48 TRP HB+ 4.00 (# 2962:20 Unique 1.91, 2.86 A)
&rst
ixpk= 2962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1011,1012,
igr2= 776, 777,
&end
#
# 100 ILE HG1- 48 TRP HB+ 4.50 (# 2963:20 Unique 2.45, 3.97 A)
&rst
ixpk= 2963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1593,1594,
igr2= 776, 777,
&end
#
# 100 ILE HG1- 48 TRP HB- 5.00 (# 2964:20 Unique 2.45, 3.97 A)
&rst
ixpk= 2964, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1593,1594,
igr2= 776, 777,
&end
#
# 49 LYS HB+ 49 LYS HA 3.00 (# 2965:20 Unique 2.30, 2.67 A)
&rst
ixpk= 2965, nxpk= 20, iat= -1, 798, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 800, 801,
&end
#
# 49 LYS HG+ 49 LYS HB- 3.00 (# 2966:20 Unique 2.24, 2.58 A)
&rst
ixpk= 2966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 803, 804,
igr2= 800, 801,
&end
#
# 49 LYS HG- 49 LYS HB- 3.00 (# 2967:20 Unique 2.24, 2.58 A)
&rst
ixpk= 2967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 803, 804,
igr2= 800, 801,
&end
#
# 49 LYS HG- 49 LYS HB+ 4.00 (# 2968:20 Unique 2.24, 2.58 A)
&rst
ixpk= 2968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 803, 804,
igr2= 800, 801,
&end
#
# 58 ILE HG1- 49 LYS HB+ 6.50 (# 2969:20 Unique 3.10, 5.22 A)
&rst
ixpk= 2969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 968, 969,
igr2= 800, 801,
&end
#
# 58 ILE QG2 49 LYS HB- 5.00 (# 2970:20 Unique 1.96, 3.85 A)
&rst
ixpk= 2970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 964, 965, 966,
igr2= 800, 801,
&end
#
# 50 LYS HN 49 LYS HB- 5.00 (# 2971:20 Unique 3.97, 4.17 A)
&rst
ixpk= 2971, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 800, 801,
&end
#
# 50 LYS HN 49 LYS HB+ 5.00 (# 2972:20 Unique 3.97, 4.17 A)
&rst
ixpk= 2972, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 800, 801,
&end
#
# 48 TRP HA 49 LYS HB- 6.00 (# 2973:20 Unique 4.82, 5.31 A)
&rst
ixpk= 2973, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 800, 801,
&end
#
# 99 ASP HA 49 LYS HB- 6.00 (# 2974:20 Unique 4.12, 5.40 A)
&rst
ixpk= 2974, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 800, 801,
&end
#
# 50 LYS HN 49 LYS HG- 6.00 (# 2975:20 Unique 4.97, 5.58 A)
&rst
ixpk= 2975, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 803, 804,
&end
#
# 50 LYS HE+ 50 LYS HB- 5.00 (# 2976:20 Unique 2.24, 3.48 A)
&rst
ixpk= 2976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 831, 832,
igr2= 822, 823,
&end
#
# 50 LYS HN 0 AMB 20-1:2977 5.00 (# 2977:20 Single 0.00, 0.00 )
&rst
ixpk= 2977, nxpk= 20, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 825, 826, 825, 826,
&end
#
# 51 LYS HN 50 LYS HD+ 5.50 (# 2978:20 Unique 4.15, 4.74 A)
&rst
ixpk= 2978, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 828, 829,
&end
#
# 52 SER HN 50 LYS HD- 7.00 (# 2979:20 Unique 4.08, 5.74 A)
&rst
ixpk= 2979, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 828, 829,
&end
#
# 48 TRP HZ2 50 LYS HE+ 4.00 (# 2980:20 Unique 3.72, 4.90 A)
&rst
ixpk= 2980, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 831, 832,
&end
#
# 51 LYS HN 51 LYS HB+ 3.00 (# 2981:20 Unique 2.06, 2.88 A)
&rst
ixpk= 2981, nxpk= 20, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 844, 845,
&end
#
# 0 AMB 20-2:2982 0 AMB 20-1:2982 6.00 (# 2982:20 Double 0.00, 0.00 )
&rst
ixpk= 2982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 937, 938, 820,
igr2= 844, 845, 844, 845,
&end
#
# 57 THR HN 52 SER HB+ 7.00 (# 2983:20 Unique 2.61, 5.85 A)
&rst
ixpk= 2983, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 866, 867,
&end
#
# 50 LYS HG+ 52 SER HB+ 7.00 (# 2985:20 Unique 3.22, 5.53 A)
&rst
ixpk= 2985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 825, 826,
igr2= 866, 867,
&end
#
# 10 ARG HE 10 ARG HD- 3.50 (# 2986:20 Unique 2.28, 2.75 A)
&rst
ixpk= 2986, nxpk= 20, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 148, 149,
&end
#
# 118 TYR HE 10 ARG HD+ 4.20 (# 2987:20 Unique 2.80, 8.49 A)
&rst
ixpk= 2987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1860,1865,
igr2= 148, 149,
&end
#
# 10 ARG HB- 10 ARG HD+ 4.00 (# 2988:20 Unique 1.97, 3.12 A)
&rst
ixpk= 2988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 142, 143,
igr2= 148, 149,
&end
#
# 10 ARG HB+ 10 ARG HD+ 4.00 (# 2989:20 Unique 1.97, 3.12 A)
&rst
ixpk= 2989, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 142, 143,
igr2= 148, 149,
&end
#
# 10 ARG HG- 10 ARG HD+ 3.50 (# 2990:20 Unique 2.22, 2.67 A)
&rst
ixpk= 2990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 145, 146,
igr2= 148, 149,
&end
#
# 10 ARG HG+ 10 ARG HD+ 3.50 (# 2991:20 Unique 2.22, 2.67 A)
&rst
ixpk= 2991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 145, 146,
igr2= 148, 149,
&end
#
# 55 THR HN 54 LYS HA 4.50 (# 2993:20 Unique 2.50, 2.97 A)
&rst
ixpk= 2993, nxpk= 20, iat= 919, 899, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 LYS HA 54 LYS HB- 3.00 (# 2994:20 Unique 2.33, 2.74 A)
&rst
ixpk= 2994, nxpk= 20, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 901, 902,
&end
#
# 56 SER HN 56 SER HA 3.50 (# 2995:20 Unique 2.28, 2.48 A)
&rst
ixpk= 2995, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 LYS HG+ 56 SER HA 4.20 (# 2997:20 Unique 1.97, 4.48 A)
&rst
ixpk= 2997, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 847, 848,
&end
#
# 56 SER HN 56 SER HB- 4.50 (# 2998:20 Unique 2.33, 3.57 A)
&rst
ixpk= 2998, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 937, 938,
&end
#
# 56 SER HN 56 SER HB+ 4.50 (# 2999:20 Unique 2.33, 3.57 A)
&rst
ixpk= 2999, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 937, 938,
&end
#
# 57 THR HN 56 SER HB- 5.50 (# 3000:20 Unique 2.15, 3.67 A)
&rst
ixpk= 3000, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938,
&end
#
# 57 THR HN 56 SER HB+ 5.50 (# 3001:20 Unique 2.15, 3.67 A)
&rst
ixpk= 3001, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938,
&end
#
# 55 THR HN 55 THR HA 4.50 (# 3002:20 Unique 2.72, 2.84 A)
&rst
ixpk= 3002, nxpk= 20, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 SER HN 55 THR HA 5.00 (# 3003:20 Unique 2.14, 3.11 A)
&rst
ixpk= 3003, nxpk= 20, iat= 933, 921, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 GLY HA- 88 LYS HD+ 5.50 (# 3004:20 Unique 3.54, 4.79 A)
&rst
ixpk= 3004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1395,1396,
igr2=1410,1411,
&end
#
# 57 THR HN 57 THR HA 5.00 (# 3005:20 Unique 2.30, 2.78 A)
&rst
ixpk= 3005, nxpk= 20, iat= 944, 946, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 51 LYS HG+ 57 THR HA 7.00 (# 3006:20 Unique 5.44, 6.93 A)
&rst
ixpk= 3006, nxpk= 20, iat= -1, 946, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 847, 848,
&end
#
# 0 AMB 20-2:3007 57 THR HB 6.00 (# 3007:20 Single 0.00, 0.00 )
&rst
ixpk= 3007, nxpk= 20, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 962, 981, 982, 844, 845,
&end
#
# 0 AMB 20-2:3008 55 THR MG2 6.00 (# 3008:20 Single 0.00, 0.00 )
&rst
ixpk= 3008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 921, 864,
igr2= 925, 926, 927,
&end
#
# 58 ILE HA 58 ILE QD1 4.00 (# 3009:20 Unique 2.17, 3.37 A)
&rst
ixpk= 3009, nxpk= 20, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 971, 972, 973,
&end
#
# 51 LYS HA 58 ILE QD1 3.00 (# 3010:20 Unique 2.01, 4.13 A)
&rst
ixpk= 3010, nxpk= 20, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 971, 972, 973,
&end
#
# 51 LYS HB- 58 ILE QD1 5.50 (# 3011:20 Unique 2.01, 5.49 A)
&rst
ixpk= 3011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 844, 845,
igr2= 971, 972, 973,
&end
#
# 58 ILE HG1- 58 ILE QD1 3.00 (# 3012:20 Unique 2.21, 2.62 A)
&rst
ixpk= 3012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 968, 969,
igr2= 971, 972, 973,
&end
#
# 58 ILE HB 58 ILE QG2 3.00 (# 3013:20 Unique 2.26, 2.63 A)
&rst
ixpk= 3013, nxpk= 20, iat= 962, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 964, 965, 966,
&end
#
# 49 LYS HB- 58 ILE QG2 3.00 (# 3014:20 Unique 1.96, 3.85 A)
&rst
ixpk= 3014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 800, 801,
igr2= 964, 965, 966,
&end
#
# 60 GLU HG+ 60 GLU HA 3.20 (# 3015:20 Unique 2.40, 2.73 A)
&rst
ixpk= 3015, nxpk= 20, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 999,1000,
&end
#
# 47 LYS HG- 60 GLU HA 5.00 (# 3016:20 Unique 3.05, 4.30 A)
&rst
ixpk= 3016, nxpk= 20, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 757, 758,
&end
#
# 47 LYS HG+ 60 GLU HG+ 4.00 (# 3017:20 Unique 2.48, 3.91 A)
&rst
ixpk= 3017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 757, 758,
igr2= 999,1000,
&end
#
# 47 LYS HG+ 60 GLU HG- 4.00 (# 3018:20 Unique 2.48, 3.91 A)
&rst
ixpk= 3018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 757, 758,
igr2= 999,1000,
&end
#
# 58 ILE QG2 60 GLU HG+ 5.00 (# 3019:20 Unique 2.41, 3.88 A)
&rst
ixpk= 3019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 964, 965, 966,
igr2= 999,1000,
&end
#
# 61 LYS HD+ 61 LYS HB+ 4.00 (# 3020:20 Unique 2.34, 3.34 A)
&rst
ixpk= 3020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1017,1018,
igr2=1011,1012,
&end
#
# 61 LYS HN 61 LYS HG+ 4.80 (# 3021:20 Unique 4.15, 4.42 A)
&rst
ixpk= 3021, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1014,1015,
&end
#
# 48 TRP HB+ 61 LYS HG- 6.00 (# 3022:20 Unique 4.21, 5.13 A)
&rst
ixpk= 3022, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 776, 777,
igr2=1014,1015,
&end
#
# 63 VAL MGY 0 AMB 20-1:3024 5.00 (# 3024:20 Single 0.00, 0.00 )
&rst
ixpk= 3024, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1014,1015,1014,1015,
&end
#
# 47 LYS HD+ 62 THR HA 3.50 (# 3026:20 Unique 2.22, 2.87 A)
&rst
ixpk= 3026, nxpk= 20, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 760, 761,
&end
#
# 63 VAL MGY 62 THR HA 5.00 (# 3027:20 Unique 3.50, 4.92 A)
&rst
ixpk= 3027, nxpk= 20, iat= -1,1031, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:3028 62 THR HB 5.00 (# 3028:20 Single 0.00, 0.00 )
&rst
ixpk= 3028, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1371,1011,1012,
&end
#
# 78 MET HA 74 CYS HA 5.00 (# 3029:20 Unique 3.88, 4.15 A)
&rst
ixpk= 3029, nxpk= 20, iat=1262,1198, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 ILE HN 63 VAL HA 2.80 (# 3030:20 Unique 1.95, 2.11 A)
&rst
ixpk= 3030, nxpk= 20, iat=1367,1045, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 GLU HN 63 VAL HA 3.00 (# 3031:20 Unique 2.33, 2.47 A)
&rst
ixpk= 3031, nxpk= 20, iat=1059,1045, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 VAL HN 63 VAL HA 3.50 (# 3032:20 Unique 2.91, 2.93 A)
&rst
ixpk= 3032, nxpk= 20, iat=1043,1045, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 VAL HB 63 VAL HA 7.00 (# 3033:20 Unique 3.71, 5.27 A)
&rst
ixpk= 3033, nxpk= 20, iat=1333,1045, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 85 ILE HG1- 63 VAL HA 3.50 (# 3034:20 Unique 1.94, 2.84 A)
&rst
ixpk= 3034, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1377,1378,
&end
#
# 85 ILE HG1+ 63 VAL HA 3.50 (# 3035:20 Unique 1.94, 2.84 A)
&rst
ixpk= 3035, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1377,1378,
&end
#
# 63 VAL MGY 63 VAL HA 3.50 (# 3036:20 Unique 1.97, 3.45 A)
&rst
ixpk= 3036, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL MGX 63 VAL HA 3.00 (# 3037:20 Unique 1.97, 3.45 A)
&rst
ixpk= 3037, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 82 VAL MGX 63 VAL HA 5.00 (# 3038:20 Unique 3.79, 5.32 A)
&rst
ixpk= 3038, nxpk= 20, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 63 VAL HN 63 VAL HB 5.00 (# 3039:20 Unique 3.41, 3.81 A)
&rst
ixpk= 3039, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 LEU MDX 64 GLU HG+ 3.00 (# 3040:20 Unique 2.49, 5.21 A)
&rst
ixpk= 3040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1099,1100,1101,1103,1104,1105,
igr2=1066,1067,
&end
#
# 0 AMB 20-2:3041 0 AMB 20-1:3041 3.00 (# 3041:20 Double 0.00, 0.00 )
&rst
ixpk= 3041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 776, 777,1811,1812,
igr2=1049,1050,1051,1053,1054,1055, 590, 591, 592, 594,
595, 596,
&end
#
# 84 ASP HB+ 63 VAL MGY 6.50 (# 3042:20 Unique 3.16, 6.20 A)
&rst
ixpk= 3042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1359,1360,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 63 VAL HB 63 VAL MGY 3.00 (# 3043:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3043, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1049,1050,1051,1053,1054,1055,
&end
#
# 0 AMB 20-2:3044 101 GLU HB- 6.00 (# 3044:20 Single 0.00, 0.00 )
&rst
ixpk= 3044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1840,1841,1842,1844,1845,1846,1633,1634,1635,
igr2=1606,1607,
&end
#
# 65 VAL HN 64 GLU HG+ 5.00 (# 3045:20 Unique 2.49, 3.50 A)
&rst
ixpk= 3045, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1066,1067,
&end
#
# 65 VAL HN 64 GLU HG- 4.00 (# 3046:20 Unique 2.49, 3.50 A)
&rst
ixpk= 3046, nxpk= 20, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1066,1067,
&end
#
# 66 LEU HB- 65 VAL HA 6.00 (# 3047:20 Unique 4.23, 5.00 A)
&rst
ixpk= 3047, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1094,1095,
&end
#
# 0 AMB 20-2:3049 65 VAL HA 5.00 (# 3049:20 Single 0.00, 0.00 )
&rst
ixpk= 3049, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 82 VAL HA 65 VAL HA 3.00 (# 3050:20 Unique 2.01, 2.51 A)
&rst
ixpk= 3050, nxpk= 20, iat=1331,1076, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 67 GLY HN 65 VAL HA 4.50 (# 3051:20 Unique 3.37, 3.59 A)
&rst
ixpk= 3051, nxpk= 20, iat=1109,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 VAL HN 65 VAL HA 3.50 (# 3052:20 Unique 2.83, 2.85 A)
&rst
ixpk= 3052, nxpk= 20, iat=1074,1076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LEU HN 65 VAL HA 2.80 (# 3053:20 Unique 2.14, 2.18 A)
&rst
ixpk= 3053, nxpk= 20, iat=1090,1076, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:3054 65 VAL HA 4.00 (# 3054:20 Single 0.00, 0.00 )
&rst
ixpk= 3054, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1345,1059,
&end
#
# 0 AMB 20-2:3055 65 VAL HB 5.20 (# 3055:20 Single 0.00, 0.00 )
&rst
ixpk= 3055, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 714, 722, 680, 688,
&end
#
# 65 VAL MGY 65 VAL HB 3.00 (# 3056:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3056, nxpk= 20, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1080,1081,1082,1084,1085,1086,
&end
#
# 75 LEU HN 75 LEU HA 3.00 (# 3057:20 Unique 2.28, 2.87 A)
&rst
ixpk= 3057, nxpk= 20, iat=1207,1209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 PHE HB- 66 LEU HA 6.00 (# 3058:20 Unique 4.59, 5.86 A)
&rst
ixpk= 3058, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 676, 677,
&end
#
# 42 PHE HB+ 66 LEU HA 5.00 (# 3059:20 Unique 4.59, 5.86 A)
&rst
ixpk= 3059, nxpk= 20, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 676, 677,
&end
#
# 67 GLY HN 66 LEU HB- 4.00 (# 3060:20 Unique 3.17, 3.71 A)
&rst
ixpk= 3060, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1094,1095,
&end
#
# 0 AMB 20-2:3061 0 AMB 20-1:3061 7.50 (# 3061:20 Double 0.00, 0.00 )
&rst
ixpk= 3061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1=1474,1509,
igr2=1099,1100,1101,1103,1104,1105,1097,
&end
#
# 67 GLY HN 66 LEU MDX 5.00 (# 3063:20 Unique 4.42, 5.64 A)
&rst
ixpk= 3063, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 65 VAL HA 66 LEU MDX 5.00 (# 3065:20 Unique 3.13, 5.12 A)
&rst
ixpk= 3065, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 0 AMB 20-2:3066 66 LEU MDX 3.00 (# 3066:20 Single 0.00, 0.00 )
&rst
ixpk= 3066, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1066,1067,1063,1064,
igr2=1099,1100,1101,1103,1104,1105,
&end
#
# 44 PHE HD 67 GLY HA+ 6.00 (# 3067:20 Unique 4.77, 7.73 A)
&rst
ixpk= 3067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 714, 722,
igr2=1111,1112,
&end
#
# 69 ALA HN 68 MET HB+ 4.00 (# 3068:20 Unique 1.87, 3.46 A)
&rst
ixpk= 3068, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1120,1121,
&end
#
# 69 ALA HN 68 MET HB- 4.00 (# 3069:20 Unique 1.87, 3.46 A)
&rst
ixpk= 3069, nxpk= 20, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1120,1121,
&end
#
# 37 ASP HA 68 MET ME 6.00 (# 3070:20 Unique 3.45, 5.94 A)
&rst
ixpk= 3070, nxpk= 20, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1127,1128,1129,
&end
#
# 69 ALA MB 69 ALA HA 3.00 (# 3071:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3071, nxpk= 20, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1137,1138,1139,
&end
#
# 0 AMB 20-2:3072 70 PRO HA 5.00 (# 3072:20 Single 0.00, 0.00 )
&rst
ixpk= 3072, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1169,1133,
&end
#
# 70 PRO HD- 70 PRO HA 4.50 (# 3073:20 Unique 3.60, 3.85 A)
&rst
ixpk= 3073, nxpk= 20, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1144,1145,
&end
#
# 70 PRO HD- 70 PRO HB- 4.50 (# 3074:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3074, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1144,1145,
igr2=1150,1151,
&end
#
# 70 PRO HD- 70 PRO HB+ 4.50 (# 3075:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1144,1145,
igr2=1150,1151,
&end
#
# 70 PRO HD+ 70 PRO HB+ 4.50 (# 3076:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1144,1145,
igr2=1150,1151,
&end
#
# 70 PRO HD+ 70 PRO HB- 4.50 (# 3077:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1144,1145,
igr2=1150,1151,
&end
#
# 70 PRO HB- 70 PRO HD- 4.00 (# 3079:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1150,1151,
igr2=1144,1145,
&end
#
# 70 PRO HB- 70 PRO HD+ 4.00 (# 3080:20 Unique 2.98, 3.70 A)
&rst
ixpk= 3080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1150,1151,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:3081 70 PRO HD- 3.00 (# 3081:20 Single 0.00, 0.00 )
&rst
ixpk= 3081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1188,1189,1147,1148,
igr2=1144,1145,
&end
#
# 0 AMB 20-2:3082 70 PRO HD- 3.00 (# 3082:20 Single 0.00, 0.00 )
&rst
ixpk= 3082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1147,1148,1185,1186,
igr2=1144,1145,
&end
#
# 33 TYR HE 71 ASP HA 4.00 (# 3083:20 Unique 2.61, 6.11 A)
&rst
ixpk= 3083, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 528, 533,
&end
#
# 0 AMB 20-2:3084 71 ASP HB- 5.00 (# 3084:20 Single 0.00, 0.00 )
&rst
ixpk= 3084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 549, 554, 528, 533,
igr2=1161,1162,
&end
#
# 0 AMB 20-2:3085 0 AMB 20-1:3085 5.00 (# 3085:20 Double 0.00, 0.00 )
&rst
ixpk= 3085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1= 549, 554, 528, 533,
igr2=1161,1162,1161,1162,
&end
#
# 72 ASP HN 71 ASP HB+ 4.50 (# 3086:20 Unique 3.08, 3.95 A)
&rst
ixpk= 3086, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1161,1162,
&end
#
# 72 ASP HN 71 ASP HB- 4.50 (# 3087:20 Unique 3.08, 3.95 A)
&rst
ixpk= 3087, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1161,1162,
&end
#
# 72 ASP HA 72 ASP HB+ 3.00 (# 3088:20 Unique 2.30, 2.67 A)
&rst
ixpk= 3088, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1173,1174,
&end
#
# 72 ASP HA 72 ASP HB- 3.00 (# 3089:20 Unique 2.30, 2.67 A)
&rst
ixpk= 3089, nxpk= 20, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1173,1174,
&end
#
# 72 ASP HN 72 ASP HB+ 4.00 (# 3090:20 Unique 2.56, 3.20 A)
&rst
ixpk= 3090, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1173,1174,
&end
#
# 72 ASP HN 72 ASP HB- 4.00 (# 3091:20 Unique 2.56, 3.20 A)
&rst
ixpk= 3091, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1173,1174,
&end
#
# 74 CYS HN 73 GLU HA 4.00 (# 3092:20 Unique 3.52, 3.56 A)
&rst
ixpk= 3092, nxpk= 20, iat=1196,1183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 75 LEU HN 73 GLU HA 5.00 (# 3093:20 Unique 4.28, 4.65 A)
&rst
ixpk= 3093, nxpk= 20, iat=1207,1183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 LYS HB+ 88 LYS HA 3.50 (# 3094:20 Unique 2.28, 2.65 A)
&rst
ixpk= 3094, nxpk= 20, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1404,1405,
&end
#
# 33 TYR HD 74 CYS HB- 5.50 (# 3097:20 Unique 2.51, 4.70 A)
&rst
ixpk= 3097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 526, 535,
igr2=1200,1201,
&end
#
# 76 LYS HN 75 LEU HA 4.00 (# 3098:20 Unique 3.03, 3.24 A)
&rst
ixpk= 3098, nxpk= 20, iat=1226,1209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 MET ME 75 LEU HA 3.00 (# 3099:20 Unique 1.94, 3.29 A)
&rst
ixpk= 3099, nxpk= 20, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 481, 482, 483,
&end
#
# 0 AMB 20-2:3100 0 AMB 20-1:3100 3.00 (# 3100:20 Double 0.00, 0.00 )
&rst
ixpk= 3100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1233,1234,1637,1638,
igr2=1230,1231, 754, 755,
&end
#
# 78 MET HN 78 MET HA 3.50 (# 3102:20 Unique 2.84, 2.88 A)
&rst
ixpk= 3102, nxpk= 20, iat=1260,1262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 CYS HB+ 78 MET HA 5.00 (# 3103:20 Unique 3.02, 4.15 A)
&rst
ixpk= 3103, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1200,1201,
&end
#
# 68 MET ME 78 MET HA 4.50 (# 3104:20 Unique 2.34, 3.79 A)
&rst
ixpk= 3104, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1127,1128,1129,
&end
#
# 0 AMB 20-2:3105 78 MET HA 4.00 (# 3105:20 Single 0.00, 0.00 )
&rst
ixpk= 3105, nxpk= 20, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1267,1268,1550,1551,1552,1554,1555,1556,
&end
#
# 78 MET HA 78 MET HB+ 4.00 (# 3107:20 Unique 2.23, 2.71 A)
&rst
ixpk= 3107, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1264,1265,
&end
#
# 78 MET HN 78 MET HB+ 4.00 (# 3108:20 Unique 2.28, 3.10 A)
&rst
ixpk= 3108, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1264,1265,
&end
#
# 78 MET HN 78 MET HB- 4.00 (# 3109:20 Unique 2.28, 3.10 A)
&rst
ixpk= 3109, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1264,1265,
&end
#
# 78 MET ME 78 MET HG+ 4.00 (# 3110:20 Unique 2.17, 3.61 A)
&rst
ixpk= 3110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1271,1272,1273,
igr2=1267,1268,
&end
#
# 78 MET ME 78 MET HG- 4.00 (# 3111:20 Unique 2.17, 3.61 A)
&rst
ixpk= 3111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1271,1272,1273,
igr2=1267,1268,
&end
#
# 78 MET HA 78 MET HG+ 4.00 (# 3112:20 Unique 2.79, 3.50 A)
&rst
ixpk= 3112, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1267,1268,
&end
#
# 78 MET HA 78 MET HG- 4.00 (# 3113:20 Unique 2.79, 3.50 A)
&rst
ixpk= 3113, nxpk= 20, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1267,1268,
&end
#
# 78 MET HN 78 MET HG- 3.50 (# 3114:20 Unique 1.95, 3.05 A)
&rst
ixpk= 3114, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1267,1268,
&end
#
# 78 MET HN 78 MET HG+ 3.50 (# 3115:20 Unique 1.95, 3.05 A)
&rst
ixpk= 3115, nxpk= 20, iat=1260, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1267,1268,
&end
#
# 95 ALA HN 79 TYR HA 6.00 (# 3117:20 Unique 3.67, 4.17 A)
&rst
ixpk= 3117, nxpk= 20, iat=1509,1279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 LEU HB+ 79 TYR HA 5.00 (# 3119:20 Unique 2.07, 3.91 A)
&rst
ixpk= 3119, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1545,1546,
&end
#
# 0 AMB 20-2:3120 79 TYR HA 5.00 (# 3120:20 Single 0.00, 0.00 )
&rst
ixpk= 3120, nxpk= 20, iat= -1,1279, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1523,1524,1127,1128,1129,1548,1529,1530,
&end
#
# 69 ALA MB 79 TYR HB+ 4.00 (# 3121:20 Unique 2.18, 4.84 A)
&rst
ixpk= 3121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1137,1138,1139,
igr2=1281,1282,
&end
#
# 69 ALA MB 79 TYR HB- 3.00 (# 3122:20 Unique 2.18, 4.84 A)
&rst
ixpk= 3122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1137,1138,1139,
igr2=1281,1282,
&end
#
# 80 VAL HN 80 VAL HA 3.50 (# 3123:20 Unique 2.90, 2.91 A)
&rst
ixpk= 3123, nxpk= 20, iat=1298,1300, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 ALA MB 80 VAL HA 4.00 (# 3125:20 Unique 3.07, 4.81 A)
&rst
ixpk= 3125, nxpk= 20, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1137,1138,1139,
&end
#
# 68 MET HB+ 80 VAL HA 5.00 (# 3126:20 Unique 2.67, 4.00 A)
&rst
ixpk= 3126, nxpk= 20, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1120,1121,
&end
#
# 80 VAL MGY 80 VAL HB 3.00 (# 3127:20 Unique 2.22, 2.63 A)
&rst
ixpk= 3127, nxpk= 20, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1304,1305,1306,1308,1309,1310,
&end
#
# 82 VAL HN 80 VAL MGX 5.50 (# 3128:20 Unique 3.70, 6.03 A)
&rst
ixpk= 3128, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 67 GLY HN 80 VAL MGX 5.50 (# 3129:20 Unique 3.36, 4.96 A)
&rst
ixpk= 3129, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 20-2:3130 80 VAL MGX 5.00 (# 3130:20 Single 0.00, 0.00 )
&rst
ixpk= 3130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1285,1294, 791,
igr2=1304,1305,1306,1308,1309,1310,
&end
#
# 0 AMB 20-2:3131 81 GLU HA 6.50 (# 3131:20 Single 0.00, 0.00 )
&rst
ixpk= 3131, nxpk= 20, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1=1509,1474,
&end
#
# 0 AMB 20-2:3132 81 GLU HA 5.00 (# 3132:20 Single 0.00, 0.00 )
&rst
ixpk= 3132, nxpk= 20, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1335,1336,1337,1339,1340,1341,1080,1081,1082,1084,
1085,1086,
&end
#
# 82 VAL MGX 81 GLU HA 5.00 (# 3133:20 Unique 3.87, 5.51 A)
&rst
ixpk= 3133, nxpk= 20, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 67 GLY HN 81 GLU HB+ 5.50 (# 3134:20 Unique 3.74, 4.91 A)
&rst
ixpk= 3134, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 67 GLY HN 81 GLU HB- 5.50 (# 3135:20 Unique 3.74, 4.91 A)
&rst
ixpk= 3135, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1318,1319,
&end
#
# 82 VAL HN 81 GLU HB+ 5.00 (# 3136:20 Unique 3.60, 4.13 A)
&rst
ixpk= 3136, nxpk= 20, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1318,1319,
&end
#
# 70 PRO HD- 81 GLU HG- 5.50 (# 3138:20 Unique 3.64, 4.92 A)
&rst
ixpk= 3138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1144,1145,
igr2=1321,1322,
&end
#
# 63 VAL HB 82 VAL HB 4.70 (# 3139:20 Unique 1.84, 3.05 A)
&rst
ixpk= 3139, nxpk= 20, iat=1047,1333, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 67 GLY HN 82 VAL MGX 7.00 (# 3140:20 Unique 4.19, 7.09 A)
&rst
ixpk= 3140, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 64 GLU HA 82 VAL MGX 6.00 (# 3142:20 Unique 3.22, 5.49 A)
&rst
ixpk= 3142, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr2=1335,1336,1337,1339,1340,1341,
&end
#
# 82 VAL MGX 83 ALA HA 4.00 (# 3143:20 Unique 3.27, 5.19 A)
&rst
ixpk= 3143, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 93 TYR HD 83 ALA HA 7.00 (# 3144:20 Unique 3.52, 5.40 A)
&rst
ixpk= 3144, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1482,1491,
&end
#
# 93 TYR HE 83 ALA HA 7.00 (# 3146:20 Unique 3.52, 5.44 A)
&rst
ixpk= 3146, nxpk= 20, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1484,1489,
&end
#
# 87 GLY HN 85 ILE HA 5.20 (# 3147:20 Unique 4.34, 4.42 A)
&rst
ixpk= 3147, nxpk= 20, iat=1393,1369, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 85 ILE HN 85 ILE QD1 5.00 (# 3148:20 Unique 4.04, 4.36 A)
&rst
ixpk= 3148, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:3149 85 ILE QD1 4.00 (# 3149:20 Single 0.00, 0.00 )
&rst
ixpk= 3149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1059,1029,1345,
igr2=1380,1381,1382,
&end
#
# 63 VAL HN 85 ILE QD1 5.00 (# 3150:20 Unique 2.90, 4.44 A)
&rst
ixpk= 3150, nxpk= 20, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1380,1381,1382,
&end
#
# 84 ASP HA 85 ILE QD1 6.00 (# 3151:20 Unique 5.87, 6.35 A)
&rst
ixpk= 3151, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1380,1381,1382,
&end
#
# 64 GLU HA 85 ILE QD1 5.50 (# 3152:20 Unique 3.86, 4.74 A)
&rst
ixpk= 3152, nxpk= 20, iat=1061, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:3154 85 ILE QD1 7.00 (# 3154:20 Single 0.00, 0.00 )
&rst
ixpk= 3154, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1650,1651,1359,1360,
igr2=1380,1381,1382,
&end
#
# 45 MET HB- 85 ILE QD1 4.00 (# 3155:20 Unique 2.25, 3.83 A)
&rst
ixpk= 3155, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 730, 731,
igr2=1380,1381,1382,
&end
#
# 0 AMB 20-2:3158 85 ILE QG2 4.50 (# 3158:20 Single 0.00, 0.00 )
&rst
ixpk= 3158, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1066,1067,1047, 737, 738, 739,
igr2=1373,1374,1375,
&end
#
# 85 ILE HG1- 86 GLY HA+ 6.50 (# 3159:20 Unique 4.07, 5.18 A)
&rst
ixpk= 3159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1=1377,1378,
igr2=1388,1389,
&end
#
# 0 AMB 20-2:3160 87 GLY HA- 5.00 (# 3160:20 Single 0.00, 0.00 )
&rst
ixpk= 3160, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1422,1367,
igr2=1395,1396,
&end
#
# 0 AMB 20-2:3161 0 AMB 20-1:3161 6.00 (# 3161:20 Double 0.00, 0.00 )
&rst
ixpk= 3161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1404,1405,1011,1012,
igr2=1395,1396,1395,1396,
&end
#
# 88 LYS HG+ 87 GLY HA+ 5.00 (# 3162:20 Unique 3.13, 4.65 A)
&rst
ixpk= 3162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1407,1408,
igr2=1395,1396,
&end
#
# 88 LYS HN 88 LYS HB+ 4.00 (# 3163:20 Unique 2.76, 3.30 A)
&rst
ixpk= 3163, nxpk= 20, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1404,1405,
&end
#
# 103 ILE QD1 47 LYS HG+ 4.50 (# 3164:20 Unique 2.18, 4.28 A)
&rst
ixpk= 3164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1640,1641,1642,
igr2= 757, 758,
&end
#
# 88 LYS HE+ 88 LYS HD+ 3.50 (# 3165:20 Unique 2.23, 2.72 A)
&rst
ixpk= 3165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1413,1414,
igr2=1410,1411,
&end
#
# 91 ASP HN 91 ASP HA 3.00 (# 3166:20 Unique 2.87, 2.90 A)
&rst
ixpk= 3166, nxpk= 20, iat=1446,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3167 91 ASP HA 5.00 (# 3167:20 Single 0.00, 0.00 )
&rst
ixpk= 3167, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1404,1405,1462,
&end
#
# 0 AMB 20-2:3168 91 ASP HA 4.00 (# 3168:20 Single 0.00, 0.00 )
&rst
ixpk= 3168, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1464,1465,1466,1468,1469,1470,1464,1465,1466,1468,
1469,1470,
&end
#
# 82 VAL HN 92 VAL HB 5.50 (# 3169:20 Unique 4.70, 5.02 A)
&rst
ixpk= 3169, nxpk= 20, iat=1329,1462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 VAL HN 92 VAL MGY 4.00 (# 3170:20 Unique 2.20, 3.71 A)
&rst
ixpk= 3170, nxpk= 20, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 93 TYR HB- 92 VAL MGY 7.00 (# 3171:20 Unique 4.83, 7.03 A)
&rst
ixpk= 3171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1478,1479,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 92 VAL HB 92 VAL MGY 3.00 (# 3172:20 Unique 2.30, 2.63 A)
&rst
ixpk= 3172, nxpk= 20, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1464,1465,1466,1468,1469,1470,
&end
#
# 93 TYR HN 93 TYR HB- 6.00 (# 3173:20 Unique 2.82, 3.38 A)
&rst
ixpk= 3173, nxpk= 20, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1478,1479,
&end
#
# 82 VAL MGX 94 THR HA 5.00 (# 3174:20 Unique 3.99, 5.87 A)
&rst
ixpk= 3174, nxpk= 20, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1335,1336,1337,1339,1340,1341,
&end
#
# 0 AMB 20-2:3177 94 THR HB 4.00 (# 3177:20 Single 0.00, 0.00 )
&rst
ixpk= 3177, nxpk= 20, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1281,1282,1281,1282,
&end
#
# 79 TYR HD 94 THR HB 5.50 (# 3178:20 Unique 2.05, 4.45 A)
&rst
ixpk= 3178, nxpk= 20, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1285,1294,
&end
#
# 96 LYS HA 95 ALA MB 6.50 (# 3179:20 Unique 3.95, 4.65 A)
&rst
ixpk= 3179, nxpk= 20, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2=1513,1514,1515,
&end
#
# 96 LYS HG- 96 LYS HB+ 3.50 (# 3185:20 Unique 2.24, 2.56 A)
&rst
ixpk= 3185, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1526,1527,
igr2=1523,1524,
&end
#
# 96 LYS HB+ 96 LYS HG+ 3.50 (# 3187:20 Unique 2.24, 2.56 A)
&rst
ixpk= 3187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1523,1524,
igr2=1526,1527,
&end
#
# 96 LYS HB+ 96 LYS HG- 3.50 (# 3188:20 Unique 2.24, 2.56 A)
&rst
ixpk= 3188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1523,1524,
igr2=1526,1527,
&end
#
# 0 AMB 20-2:3189 97 LEU HA 5.00 (# 3189:20 Single 0.00, 0.00 )
&rst
ixpk= 3189, nxpk= 20, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1593,1594,1760,1761,1762,
&end
#
# 116 TRP HB+ 97 LEU MDY 6.00 (# 3190:20 Unique 2.45, 5.96 A)
&rst
ixpk= 3190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1811,1812,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 113 ILE HG1+ 97 LEU MDY 4.00 (# 3191:20 Unique 2.00, 4.13 A)
&rst
ixpk= 3191, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1776,1777,
igr2=1550,1551,1552,1554,1555,1556,
&end
#
# 97 LEU HA 97 LEU HG 4.00 (# 3192:20 Unique 2.77, 3.35 A)
&rst
ixpk= 3192, nxpk= 20, iat=1543,1548, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 98 SER HN 98 SER HB+ 3.50 (# 3193:20 Unique 2.09, 2.96 A)
&rst
ixpk= 3193, nxpk= 20, iat=1560, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1564,1565,
&end
#
# 116 TRP HE1 98 SER HA 3.50 (# 3195:20 Unique 1.93, 2.83 A)
&rst
ixpk= 3195, nxpk= 20, iat=1817,1562, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HN 99 ASP HB+ 5.50 (# 3196:20 Unique 3.80, 5.04 A)
&rst
ixpk= 3196, nxpk= 20, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1575,1576,
&end
#
# 0 AMB 20-2:3197 0 AMB 20-1:3197 6.50 (# 3197:20 Double 0.00, 0.00 )
&rst
ixpk= 3197, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
igr1=1596,1597,1598,1513,1514,1515,
igr2=1575,1576,1575,1576,
&end
#
# 49 LYS HN 100 ILE HA 3.00 (# 3198:20 Unique 2.30, 2.53 A)
&rst
ixpk= 3198, nxpk= 20, iat= 796,1585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 ILE HG1+ 100 ILE HA 3.00 (# 3199:20 Unique 1.95, 2.62 A)
&rst
ixpk= 3199, nxpk= 20, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1593,1594,
&end
#
# 63 VAL MGX 100 ILE HG1- 6.00 (# 3200:20 Unique 2.95, 5.13 A)
&rst
ixpk= 3200, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1049,1050,1051,1053,1054,1055,
igr2=1593,1594,
&end
#
# 48 TRP HE1 100 ILE QD1 6.00 (# 3201:20 Unique 4.30, 6.87 A)
&rst
ixpk= 3201, nxpk= 20, iat= 782, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1596,1597,1598,
&end
#
# 48 TRP HN 100 ILE QD1 5.00 (# 3202:20 Unique 2.53, 4.20 A)
&rst
ixpk= 3202, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1596,1597,1598,
&end
#
# 0 AMB 20-2:3203 100 ILE QD1 5.00 (# 3203:20 Single 0.00, 0.00 )
&rst
ixpk= 3203, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1519,1043,
igr2=1596,1597,1598,
&end
#
# 48 TRP HD1 100 ILE QD1 4.50 (# 3204:20 Unique 3.47, 5.85 A)
&rst
ixpk= 3204, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1596,1597,1598,
&end
#
# 48 TRP HB- 100 ILE QD1 4.00 (# 3206:20 Unique 1.80, 4.20 A)
&rst
ixpk= 3206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 776, 777,
igr2=1596,1597,1598,
&end
#
# 48 TRP HA 100 ILE QG2 5.00 (# 3208:20 Unique 4.56, 5.15 A)
&rst
ixpk= 3208, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1589,1590,1591,
&end
#
# 102 ALA HA 100 ILE QG2 4.00 (# 3209:20 Unique 3.60, 4.87 A)
&rst
ixpk= 3209, nxpk= 20, iat=1619, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1589,1590,1591,
&end
#
# 105 VAL HN 102 ALA MB 5.00 (# 3212:20 Unique 3.93, 5.08 A)
&rst
ixpk= 3212, nxpk= 20, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1621,1622,1623,
&end
#
# 0 AMB 20-2:3213 103 ILE HA 5.50 (# 3213:20 Single 0.00, 0.00 )
&rst
ixpk= 3213, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1650,1651, 733, 734,
&end
#
# 104 ASP HB+ 103 ILE HA 5.00 (# 3214:20 Unique 4.23, 4.82 A)
&rst
ixpk= 3214, nxpk= 20, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1650,1651,
&end
#
# 103 ILE HB 104 ASP HB+ 5.00 (# 3215:20 Unique 3.76, 4.89 A)
&rst
ixpk= 3215, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1650,1651,
&end
#
# 0 AMB 20-2:3216 105 VAL MGX 6.00 (# 3216:20 Single 0.00, 0.00 )
&rst
ixpk= 3216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1617, 750,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:3217 105 VAL MGX 4.00 (# 3217:20 Single 0.00, 0.00 )
&rst
ixpk= 3217, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1619,1676,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 110 GLN HA 105 VAL MGX 4.00 (# 3218:20 Unique 2.74, 4.75 A)
&rst
ixpk= 3218, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 44 PHE HB- 105 VAL MGX 6.00 (# 3219:20 Unique 2.37, 5.33 A)
&rst
ixpk= 3219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1= 710, 711,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 109 THR HB 105 VAL MGY 4.50 (# 3221:20 Unique 2.91, 4.07 A)
&rst
ixpk= 3221, nxpk= 20, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 110 GLN HG+ 105 VAL MGY 5.00 (# 3222:20 Unique 2.65, 5.34 A)
&rst
ixpk= 3222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1731,1732,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 39 THR MG2 108 ASP HB+ 4.00 (# 3223:20 Unique 1.95, 3.61 A)
&rst
ixpk= 3223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 630, 631, 632,
igr2=1702,1703,
&end
#
# 113 ILE QD1 109 THR HA 4.00 (# 3224:20 Unique 3.29, 4.58 A)
&rst
ixpk= 3224, nxpk= 20, iat= -1,1712, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1779,1780,1781,
&end
#
# 106 ASP HN 109 THR HB 3.00 (# 3225:20 Unique 2.20, 2.55 A)
&rst
ixpk= 3225, nxpk= 20, iat=1674,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 THR HN 109 THR HB 3.00 (# 3226:20 Unique 2.34, 2.46 A)
&rst
ixpk= 3226, nxpk= 20, iat=1710,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 GLN HN 109 THR HB 3.00 (# 3227:20 Unique 2.17, 2.22 A)
&rst
ixpk= 3227, nxpk= 20, iat=1724,1714, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 VAL HB 109 THR HB 4.30 (# 3228:20 Unique 1.96, 2.17 A)
&rst
ixpk= 3228, nxpk= 20, iat=1662,1714, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 105 VAL MGX 109 THR HB 3.00 (# 3229:20 Unique 2.91, 4.07 A)
&rst
ixpk= 3229, nxpk= 20, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 109 THR MG2 109 THR HB 3.00 (# 3230:20 Unique 2.23, 2.64 A)
&rst
ixpk= 3230, nxpk= 20, iat= -1,1714, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1716,1717,1718,
&end
#
# 44 PHE HD 109 THR MG2 5.00 (# 3231:20 Unique 3.32, 4.65 A)
&rst
ixpk= 3231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 714, 722,
igr2=1716,1717,1718,
&end
#
# 40 LEU HA 109 THR MG2 3.00 (# 3234:20 Unique 1.99, 3.60 A)
&rst
ixpk= 3234, nxpk= 20, iat= 640, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1716,1717,1718,
&end
#
# 102 ALA MB 109 THR MG2 3.00 (# 3235:20 Unique 2.30, 4.16 A)
&rst
ixpk= 3235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1621,1622,1623,
igr2=1716,1717,1718,
&end
#
# 110 GLN HB- 110 GLN HA 3.00 (# 3236:20 Unique 2.58, 2.81 A)
&rst
ixpk= 3236, nxpk= 20, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1728,1729,
&end
#
# 111 GLU HN 110 GLN HG- 5.00 (# 3237:20 Unique 3.79, 4.48 A)
&rst
ixpk= 3237, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1731,1732,
&end
#
# 110 GLN HN 110 GLN HG- 4.50 (# 3238:20 Unique 4.00, 4.39 A)
&rst
ixpk= 3238, nxpk= 20, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1731,1732,
&end
#
# 110 GLN HE2+ 110 GLN HG- 4.00 (# 3239:20 Unique 2.28, 3.37 A)
&rst
ixpk= 3239, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1736,1737,
igr2=1731,1732,
&end
#
# 110 GLN HE2- 110 GLN HG- 4.00 (# 3240:20 Unique 2.28, 3.37 A)
&rst
ixpk= 3240, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1736,1737,
igr2=1731,1732,
&end
#
# 0 AMB 20-2:3241 110 GLN HG- 5.00 (# 3241:20 Single 0.00, 0.00 )
&rst
ixpk= 3241, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1688,1629,
igr2=1731,1732,
&end
#
# 110 GLN HA 110 GLN HG- 3.80 (# 3242:20 Unique 2.24, 3.16 A)
&rst
ixpk= 3242, nxpk= 20, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1731,1732,
&end
#
# 110 GLN HB+ 110 GLN HG- 3.00 (# 3243:20 Unique 2.23, 2.56 A)
&rst
ixpk= 3243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1728,1729,
igr2=1731,1732,
&end
#
# 105 VAL MGX 110 GLN HG- 4.00 (# 3244:20 Unique 2.65, 5.34 A)
&rst
ixpk= 3244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1731,1732,
&end
#
# 102 ALA MB 110 GLN HG- 5.00 (# 3245:20 Unique 1.97, 4.17 A)
&rst
ixpk= 3245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1621,1622,1623,
igr2=1731,1732,
&end
#
# 114 ALA MB 110 GLN HG- 6.00 (# 3246:20 Unique 4.13, 5.89 A)
&rst
ixpk= 3246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1789,1790,1791,
igr2=1731,1732,
&end
#
# 112 ALA HN 111 GLU HA 4.00 (# 3247:20 Unique 3.52, 3.56 A)
&rst
ixpk= 3247, nxpk= 20, iat=1756,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 111 GLU HN 111 GLU HA 3.00 (# 3248:20 Unique 2.70, 2.71 A)
&rst
ixpk= 3248, nxpk= 20, iat=1741,1743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 GLN HE2- 111 GLU HA 5.00 (# 3249:20 Unique 3.07, 4.12 A)
&rst
ixpk= 3249, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1736,1737,
&end
#
# 115 ASP HN 111 GLU HA 4.00 (# 3250:20 Unique 3.56, 3.69 A)
&rst
ixpk= 3250, nxpk= 20, iat=1795,1743, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 112 ALA MB 111 GLU HA 5.00 (# 3251:20 Unique 5.55, 6.11 A)
&rst
ixpk= 3251, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1760,1761,1762,
&end
#
# 111 GLU HB+ 111 GLU HA 3.00 (# 3252:20 Unique 2.50, 2.78 A)
&rst
ixpk= 3252, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1745,1746,
&end
#
# 111 GLU HG+ 111 GLU HA 3.00 (# 3253:20 Unique 2.51, 3.16 A)
&rst
ixpk= 3253, nxpk= 20, iat= -1,1743, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1748,1749,
&end
#
# 111 GLU HN 111 GLU HG+ 3.00 (# 3254:20 Unique 2.11, 2.90 A)
&rst
ixpk= 3254, nxpk= 20, iat=1741, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1748,1749,
&end
#
# 113 ILE HN 112 ALA HA 4.00 (# 3257:20 Unique 3.57, 3.57 A)
&rst
ixpk= 3257, nxpk= 20, iat=1766,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 ASP HB+ 112 ALA HA 4.00 (# 3259:20 Unique 2.25, 3.32 A)
&rst
ixpk= 3259, nxpk= 20, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1799,1800,
&end
#
# 0 AMB 20-2:3260 112 ALA MB 6.00 (# 3260:20 Single 0.00, 0.00 )
&rst
ixpk= 3260, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1748,1749,1731,1732,
igr2=1760,1761,1762,
&end
#
# 0 AMB 20-2:3261 121 ALA MB 4.00 (# 3261:20 Single 0.00, 0.00 )
&rst
ixpk= 3261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,1928,1929,
igr2=1918,1919,1920,
&end
#
# 116 TRP HN 113 ILE HA 4.00 (# 3262:20 Unique 3.68, 3.81 A)
&rst
ixpk= 3262, nxpk= 20, iat=1807,1768, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 114 ALA HN 113 ILE HA 4.50 (# 3263:20 Unique 3.57, 3.57 A)
&rst
ixpk= 3263, nxpk= 20, iat=1785,1768, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 ALA MB 113 ILE HA 5.00 (# 3264:20 Unique 3.74, 4.70 A)
&rst
ixpk= 3264, nxpk= 20, iat= -1,1768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1760,1761,1762,
&end
#
# 0 AMB 20-2:3268 113 ILE HG1- 3.50 (# 3268:20 Single 0.00, 0.00 )
&rst
ixpk= 3268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1770, 645,
igr2=1776,1777,
&end
#
# 0 AMB 20-2:3269 113 ILE QD1 4.00 (# 3269:20 Single 0.00, 0.00 )
&rst
ixpk= 3269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1731,1732,1731,1732, 588,
igr2=1779,1780,1781,
&end
#
# 102 ALA HN 113 ILE QG2 5.50 (# 3270:20 Unique 2.83, 4.88 A)
&rst
ixpk= 3270, nxpk= 20, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1772,1773,1774,
&end
#
# 110 GLN HE2- 113 ILE QG2 5.50 (# 3271:20 Unique 2.45, 4.87 A)
&rst
ixpk= 3271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1736,1737,
igr2=1772,1773,1774,
&end
#
# 115 ASP HN 114 ALA MB 4.00 (# 3272:20 Unique 2.42, 3.17 A)
&rst
ixpk= 3272, nxpk= 20, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1789,1790,1791,
&end
#
# 118 TYR HD 114 ALA MB 5.00 (# 3274:20 Unique 4.03, 6.03 A)
&rst
ixpk= 3274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1858,1867,
igr2=1789,1790,1791,
&end
#
# 118 TYR HD 115 ASP HB+ 6.00 (# 3276:20 Unique 4.27, 6.36 A)
&rst
ixpk= 3276, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1858,1867,
igr2=1799,1800,
&end
#
# 112 ALA HA 115 ASP HB+ 4.00 (# 3277:20 Unique 2.25, 3.32 A)
&rst
ixpk= 3277, nxpk= 20, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1799,1800,
&end
#
# 0 AMB 20-2:3278 0 AMB 20-1:3278 5.00 (# 3278:20 Double 0.00, 0.00 )
&rst
ixpk= 3278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
igr1= 231, 232, 233,1789,1790,1791,
igr2=1799,1800,1799,1800,
&end
#
# 0 AMB 20-2:3279 0 AMB 20-1:3279 6.00 (# 3279:20 Double 0.00, 0.00 )
&rst
ixpk= 3279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 228, 229,1760,1761,1762,
igr2=1799,1800,1799,1800,
&end
#
# 18 ILE QD1 115 ASP HB+ 7.00 (# 3280:20 Unique 3.65, 5.73 A)
&rst
ixpk= 3280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 294, 295, 296,
igr2=1799,1800,
&end
#
# 116 TRP HN 116 TRP HA 3.50 (# 3281:20 Unique 2.79, 2.82 A)
&rst
ixpk= 3281, nxpk= 20, iat=1807,1809, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:3282 116 TRP HA 4.00 (# 3282:20 Single 0.00, 0.00 )
&rst
ixpk= 3282, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1871,1850,
&end
#
# 116 TRP HB- 116 TRP HA 3.00 (# 3283:20 Unique 2.26, 2.65 A)
&rst
ixpk= 3283, nxpk= 20, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1811,1812,
&end
#
# 0 AMB 20-2:3284 116 TRP HB- 6.00 (# 3284:20 Single 0.00, 0.00 )
&rst
ixpk= 3284, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=1779,1780,1781,1959,1960,
igr2=1811,1812,
&end
#
# 117 LEU HG 117 LEU HA 3.80 (# 3285:20 Unique 2.56, 2.84 A)
&rst
ixpk= 3285, nxpk= 20, iat=1838,1833, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 20-2:3286 36 LEU HA 4.00 (# 3286:20 Single 0.00, 0.00 )
&rst
ixpk= 3286, nxpk= 20, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1127,1128,1129,1548, 645,
&end
#
# 118 TYR HD 118 TYR HA 4.50 (# 3287:20 Unique 2.02, 3.53 A)
&rst
ixpk= 3287, nxpk= 20, iat= -1,1852, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1858,1867,
&end
#
# 118 TYR HD 118 TYR HB+ 3.50 (# 3288:20 Unique 2.32, 3.07 A)
&rst
ixpk= 3288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1858,1867,
igr2=1854,1855,
&end
#
# 123 GLY HN 120 LEU HA 4.50 (# 3289:20 Unique 3.36, 3.78 A)
&rst
ixpk= 3289, nxpk= 20, iat=1948,1897, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 TYR HN 120 LEU HA 5.00 (# 3290:20 Unique 2.13, 2.51 A)
&rst
ixpk= 3290, nxpk= 20, iat=1955,1897, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 LEU HA 120 LEU MDX 3.00 (# 3291:20 Unique 2.02, 4.13 A)
&rst
ixpk= 3291, nxpk= 20, iat=1897, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 40 LEU MDY 112 ALA MB 3.00 (# 3292:20 Unique 1.98, 4.34 A)
&rst
ixpk= 3292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 647, 648, 649, 651, 652, 653,
igr2=1760,1761,1762,
&end
#
# 124 TYR HN 122 ARG HA 6.00 (# 3293:20 Unique 5.01, 5.76 A)
&rst
ixpk= 3293, nxpk= 20, iat=1955,1926, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 122 ARG HE 122 ARG HA 4.70 (# 3294:20 Unique 2.12, 3.60 A)
&rst
ixpk= 3294, nxpk= 20, iat=1937,1926, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 2 ALA HA 122 ARG HA 5.00 (# 3295:20 Unique 4.12, 4.64 A)
&rst
ixpk= 3295, nxpk= 20, iat= 23,1926, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 ARG HN 122 ARG HG- 5.00 (# 3297:20 Unique 3.40, 4.36 A)
&rst
ixpk= 3297, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1931,1932,
&end
#
# 122 ARG HN 122 ARG HG+ 5.00 (# 3298:20 Unique 3.40, 4.36 A)
&rst
ixpk= 3298, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1931,1932,
&end
#
# 122 ARG HN 123 GLY HA- 6.00 (# 3299:20 Unique 4.85, 5.15 A)
&rst
ixpk= 3299, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1950,1951,
&end
#
# 0 AMB 20-2:3301 124 TYR HA 5.00 (# 3301:20 Single 0.00, 0.00 )
&rst
ixpk= 3301, nxpk= 20, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1986,1987,1980,1981,
&end
#
# 0 AMB 20-2:3304 0 AMB 20-1:3304 6.00 (# 3304:20 Double 0.00, 0.00 )
&rst
ixpk= 3304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1=1959,1960, 464, 465, 466,
igr2=2002,2003,2002,2003,
&end
#
# 0 AMB 20-2:3305 0 AMB 20-1:3305 6.00 (# 3305:20 Double 0.00, 0.00 )
&rst
ixpk= 3305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
igr1=1980,1981,1986,1987,
igr2=2002,2003,2002,2003,
&end
#
# 0 AMB 20-2:3306 0 AMB 20-1:3306 5.00 (# 3306:20 Double 0.00, 0.00 )
&rst
ixpk= 3306, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=1980,1981,1211,1212,
igr2=2002,2003,2002,2003,
&end
#
# 25 LYS HE+ 25 LYS HB+ 4.00 (# 3307:20 Unique 1.95, 3.92 A)
&rst
ixpk= 3307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 397, 398,
igr2= 388, 389,
&end
#
# 119 TRP HB- 2 ALA MB 7.20 (# 3308:20 Unique 2.78, 5.26 A)
&rst
ixpk= 3308, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1=1875,1876,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:3309 4 VAL HA 5.00 (# 3309:20 Single 0.00, 0.00 )
&rst
ixpk= 3309, nxpk= 20, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 25, 26, 27,1918,1919,1920,
&end
#
# 0 AMB 20-2:3310 121 ALA MB 4.00 (# 3310:20 Single 0.00, 0.00 )
&rst
ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1904,1905,1906,1908,1909,1910,1904,1905,1906,1908,
1909,1910,1928,1929,
igr2=1918,1919,1920,
&end
#
# 23 GLU HN 27 GLU HB+ 4.00 (# 3311:20 Unique 2.72, 3.18 A)
&rst
ixpk= 3311, nxpk= 20, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 425, 426,
&end
#
# 18 ILE QD1 14 ILE HB 6.00 (# 3313:20 Unique 4.06, 5.22 A)
&rst
ixpk= 3313, nxpk= 20, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 294, 295, 296,
&end
#
# 41 GLU HA 41 GLU HG+ 4.00 (# 3316:20 Unique 3.55, 3.75 A)
&rst
ixpk= 3316, nxpk= 20, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 664, 665,
&end
#
# 35 TYR HB+ 18 ILE HA 6.00 (# 3317:20 Unique 3.29, 4.05 A)
&rst
ixpk= 3317, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 564, 565,
&end
#
# 35 TYR HB- 18 ILE HA 6.00 (# 3318:20 Unique 3.29, 4.05 A)
&rst
ixpk= 3318, nxpk= 20, iat= -1, 283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 564, 565,
&end
#
# 122 ARG HD+ 122 ARG HG+ 3.50 (# 3320:20 Unique 2.22, 2.69 A)
&rst
ixpk= 3320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1934,1935,
igr2=1931,1932,
&end
#
# 122 ARG HD+ 122 ARG HG- 3.50 (# 3321:20 Unique 2.22, 2.69 A)
&rst
ixpk= 3321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1934,1935,
igr2=1931,1932,
&end
#
# 25 LYS HE+ 25 LYS HA 4.20 (# 3322:20 Unique 3.84, 4.69 A)
&rst
ixpk= 3322, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 397, 398,
&end
#
# 6 ARG HB- 6 ARG HD- 3.00 (# 3324:20 Unique 2.08, 3.34 A)
&rst
ixpk= 3324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 77, 78,
igr2= 83, 84,
&end
#
# 0 AMB 20-2:3326 0 AMB 20-1:3326 3.00 (# 3326:20 Double 0.00, 0.00 )
&rst
ixpk= 3326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 877, 878, 981, 982,
igr2= 883, 884, 883, 884,
&end
#
# 61 LYS HB+ 61 LYS HE+ 3.50 (# 3327:20 Unique 2.29, 2.82 A)
&rst
ixpk= 3327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1011,1012,
igr2=1020,1021,
&end
#
# 108 ASP HN 107 ASP HB- 3.00 (# 3328:20 Unique 2.30, 2.96 A)
&rst
ixpk= 3328, nxpk= 20, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1690,1691,
&end
#
# 52 SER HB+ 51 LYS HG+ 7.00 (# 3331:20 Unique 4.62, 6.51 A)
&rst
ixpk= 3331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 866, 867,
igr2= 847, 848,
&end
#
# 0 AMB 20-2:3332 0 AMB 20-1:3332 4.00 (# 3332:20 Double 0.00, 0.00 )
&rst
ixpk= 3332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 46,1838,1728,1729,
igr2=1918,1919,1920,1760,1761,1762,
&end
#
# 36 LEU HN 36 LEU HB+ 3.50 (# 3333:20 Unique 2.07, 2.54 A)
&rst
ixpk= 3333, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 585, 586,
&end
#
# 45 MET HB- 103 ILE QG2 4.00 (# 3334:20 Unique 4.23, 5.59 A)
&rst
ixpk= 3334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 730, 731,
igr2=1633,1634,1635,
&end
#
# 45 MET HN 103 ILE QG2 6.00 (# 3336:20 Unique 4.60, 6.24 A)
&rst
ixpk= 3336, nxpk= 20, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1633,1634,1635,
&end
#
# 19 ILE QD1 18 ILE QG2 6.00 (# 3337:20 Unique 2.08, 5.04 A)
&rst
ixpk= 3337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 313, 314, 315,
igr2= 287, 288, 289,
&end
#
# 92 VAL HA 92 VAL HB 3.00 (# 3338:20 Unique 2.23, 2.39 A)
&rst
ixpk= 3338, nxpk= 20, iat=1460,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:3339 0 AMB 20-1:3339 4.00 (# 3339:20 Double 0.00, 0.00 )
&rst
ixpk= 3339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 842, 935,
igr2= 850, 851, 850, 851,
&end
#
# 96 LYS HA 96 LYS HG- 4.00 (# 3340:20 Unique 2.43, 3.28 A)
&rst
ixpk= 3340, nxpk= 20, iat=1521, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1526,1527,
&end
#
# 48 TRP HD1 48 TRP HB+ 4.00 (# 3341:20 Unique 3.14, 3.56 A)
&rst
ixpk= 3341, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 48 TRP HD1 48 TRP HB- 4.00 (# 3342:20 Unique 3.14, 3.56 A)
&rst
ixpk= 3342, nxpk= 20, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 776, 777,
&end
#
# 84 ASP HA 84 ASP HB- 3.00 (# 3343:20 Unique 2.24, 2.64 A)
&rst
ixpk= 3343, nxpk= 20, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1359,1360,
&end
#
# 91 ASP HA 91 ASP HB+ 3.00 (# 3344:20 Unique 2.49, 2.79 A)
&rst
ixpk= 3344, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1450,1451,
&end
#
# 91 ASP HA 91 ASP HB- 3.00 (# 3345:20 Unique 2.49, 2.79 A)
&rst
ixpk= 3345, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1450,1451,
&end
#
# 76 LYS HN 75 LEU HB- 4.50 (# 3346:20 Unique 3.31, 3.91 A)
&rst
ixpk= 3346, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1211,1212,
&end
#
# 76 LYS HN 75 LEU HB+ 4.50 (# 3347:20 Unique 3.31, 3.91 A)
&rst
ixpk= 3347, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1211,1212,
&end
#
# 19 ILE HB 18 ILE QG2 6.50 (# 3349:20 Unique 4.54, 5.95 A)
&rst
ixpk= 3349, nxpk= 20, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
igr2= 287, 288, 289,
&end
#
# 118 TYR HD 14 ILE QD1 5.50 (# 3352:20 Unique 5.00, 7.83 A)
&rst
ixpk= 3352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1858,1867,
igr2= 231, 232, 233,
&end
#
# 0 AMB 20-2:3353 0 AMB 20-1:3353 3.00 (# 3353:20 Double 0.00, 0.00 )
&rst
ixpk= 3353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 585, 586,1760,1761,1762,
igr2= 590, 591, 592, 594, 595, 596, 630, 631, 632,
&end
#
# 0 AMB 20-2:3354 62 THR HB 4.00 (# 3354:20 Single 0.00, 0.00 )
&rst
ixpk= 3354, nxpk= 20, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1049,1050,1051,1053,1054,1055,1373,1374,1375,
&end
#
# 85 ILE QG2 64 GLU HB- 4.20 (# 3355:20 Unique 2.06, 3.00 A)
&rst
ixpk= 3355, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1373,1374,1375,
igr2=1063,1064,
&end
#
# 85 ILE QD1 85 ILE HG1+ 3.00 (# 3356:20 Unique 2.20, 2.62 A)
&rst
ixpk= 3356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1380,1381,1382,
igr2=1377,1378,
&end
#
# 122 ARG HG+ 122 ARG HA 3.20 (# 3357:20 Unique 2.06, 3.08 A)
&rst
ixpk= 3357, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1931,1932,
&end
#
# 59 GLU HB- 59 GLU HA 3.00 (# 3358:20 Unique 2.57, 2.82 A)
&rst
ixpk= 3358, nxpk= 20, iat= -1, 979, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 981, 982,
&end
#
# 4 VAL MGX 4 VAL HB 3.00 (# 3359:20 Unique 2.24, 2.63 A)
&rst
ixpk= 3359, nxpk= 20, iat= -1, 46, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 98 SER HA 120 LEU MDY 4.00 (# 3360:20 Unique 2.27, 4.16 A)
&rst
ixpk= 3360, nxpk= 20, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1904,1905,1906,1908,1909,1910,
&end
#
# 18 ILE QG2 14 ILE HA 7.00 (# 3361:20 Unique 4.89, 5.80 A)
&rst
ixpk= 3361, nxpk= 20, iat= -1, 220, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 287, 288, 289,
&end
#
# 76 LYS HN 73 GLU HA 6.00 (# 3362:20 Unique 6.10, 6.29 A)
&rst
ixpk= 3362, nxpk= 20, iat=1226,1183, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 9 THR HN 7 ASP HA 5.00 (# 3363:20 Unique 3.89, 4.13 A)
&rst
ixpk= 3363, nxpk= 20, iat= 124, 99, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 ARG HN 7 ASP HA 6.20 (# 3364:20 Unique 5.30, 5.93 A)
&rst
ixpk= 3364, nxpk= 20, iat= 138, 99, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70, &end
#
# 84 ASP HB+ 84 ASP HA 3.00 (# 3365:20 Unique 2.24, 2.64 A)
&rst
ixpk= 3365, nxpk= 20, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1359,1360,
&end
#
# 63 VAL HA 84 ASP HA 3.00 (# 3366:20 Unique 2.51, 2.86 A)
&rst
ixpk= 3366, nxpk= 20, iat=1045,1357, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 VAL MGY 84 ASP HA 4.50 (# 3367:20 Unique 1.75, 4.20 A)
&rst
ixpk= 3367, nxpk= 20, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1049,1050,1051,1053,1054,1055,
&end
#
# 46 GLY HN 46 GLY HA- 3.00 (# 3368:20 Unique 2.58, 2.77 A)
&rst
ixpk= 3368, nxpk= 20, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 745, 746,
&end
#
# 91 ASP HB- 91 ASP HA 3.00 (# 3369:20 Unique 2.49, 2.79 A)
&rst
ixpk= 3369, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1450,1451,
&end
#
# 91 ASP HB+ 91 ASP HA 3.00 (# 3370:20 Unique 2.49, 2.79 A)
&rst
ixpk= 3370, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=1450,1451,
&end
#
# 90 ASP HA 90 ASP HB+ 3.00 (# 3371:20 Unique 2.47, 2.77 A)
&rst
ixpk= 3371, nxpk= 20, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1438,1439,
&end
#
# 11 GLU HN 10 ARG HA 4.20 (# 3372:20 Unique 3.56, 3.57 A)
&rst
ixpk= 3372, nxpk= 20, iat= 162, 140, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 68 MET HN 68 MET HG+ 4.00 (# 3373:20 Unique 1.69, 4.06 A)
&rst
ixpk= 3373, nxpk= 20, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1123,1124,
&end
#
# 116 TRP HE1 98 SER HB+ 5.50 (# 3374:20 Unique 3.53, 4.81 A)
&rst
ixpk= 3374, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1564,1565,
&end
#
# 116 TRP HE1 98 SER HB- 5.00 (# 3375:20 Unique 3.53, 4.81 A)
&rst
ixpk= 3375, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1564,1565,
&end
#
# 48 TRP HA 100 ILE HG1- 4.00 (# 3376:20 Unique 1.84, 2.79 A)
&rst
ixpk= 3376, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1593,1594,
&end
#
# 101 GLU HN 100 ILE HG1+ 4.00 (# 3377:20 Unique 1.82, 2.87 A)
&rst
ixpk= 3377, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1593,1594,
&end
#
# 101 GLU HN 100 ILE HG1- 4.00 (# 3378:20 Unique 1.82, 2.87 A)
&rst
ixpk= 3378, nxpk= 20, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1593,1594,
&end
#
# 0 AMB 20-2:3379 100 ILE HG1- 5.50 (# 3379:20 Single 0.00, 0.00 )
&rst
ixpk= 3379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 796,1007,
igr2=1593,1594,
&end
#
# 0 AMB 20-2:3380 0 AMB 20-1:3380 5.50 (# 3380:20 Double 0.00, 0.00 )
&rst
ixpk= 3380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 796,1007,
igr2=1593,1594,1593,1594,
&end
#
# 0 AMB 20-2:3381 100 ILE QG2 6.00 (# 3381:20 Single 0.00, 0.00 )
&rst
ixpk= 3381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 772,1074,
igr2=1589,1590,1591,
&end
#
# 44 PHE HE 102 ALA HA 5.00 (# 3382:20 Unique 1.86, 4.68 A)
&rst
ixpk= 3382, nxpk= 20, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 716, 720,
&end
#
# 50 LYS HN 58 ILE HA 5.00 (# 3383:20 Unique 4.16, 4.47 A)
&rst
ixpk= 3383, nxpk= 20, iat= 818, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 VAL MGY 42 PHE HB+ 5.00 (# 3384:20 Unique 2.07, 5.01 A)
&rst
ixpk= 3384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1080,1081,1082,1084,1085,1086,
igr2= 676, 677,
&end
#
# 105 VAL MGX 104 ASP HB+ 6.50 (# 3385:20 Unique 4.17, 6.26 A)
&rst
ixpk= 3385, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.84, r4=10.34,
igr1=1664,1665,1666,1668,1669,1670,
igr2=1650,1651,
&end
#
# 0 AMB 20-2:3386 105 VAL MGY 6.00 (# 3386:20 Single 0.00, 0.00 )
&rst
ixpk= 3386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
igr1=1617, 750,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 0 AMB 20-2:3387 105 VAL MGY 4.00 (# 3387:20 Single 0.00, 0.00 )
&rst
ixpk= 3387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1619,1676,
igr2=1664,1665,1666,1668,1669,1670,
&end
#
# 112 ALA HN 112 ALA HA 3.00 (# 3388:20 Unique 2.75, 2.77 A)
&rst
ixpk= 3388, nxpk= 20, iat=1756,1758, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 GLU HN 109 THR HA 5.50 (# 3389:20 Unique 4.87, 5.04 A)
&rst
ixpk= 3389, nxpk= 20, iat=1741,1712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 ILE HN 110 GLN HA 4.00 (# 3390:20 Unique 3.55, 3.67 A)
&rst
ixpk= 3390, nxpk= 20, iat=1766,1726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 115 ASP HN 114 ALA HA 4.00 (# 3391:20 Unique 3.52, 3.56 A)
&rst
ixpk= 3391, nxpk= 20, iat=1795,1787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 ARG HE 13 ARG HG- 4.00 (# 3392:20 Unique 2.26, 2.89 A)
&rst
ixpk= 3392, nxpk= 20, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 201, 202,
&end
#
# 13 ARG HE 13 ARG HG+ 4.00 (# 3393:20 Unique 2.26, 2.89 A)
&rst
ixpk= 3393, nxpk= 20, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 201, 202,
&end
#
# 18 ILE QD1 13 ARG HG- 8.50 (# 3394:20 Unique 7.97, 9.81 A)
&rst
ixpk= 3394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.46, r4=11.96,
igr1= 294, 295, 296,
igr2= 201, 202,
&end
#
# 18 ILE QD1 13 ARG HG+ 8.50 (# 3396:20 Unique 7.97, 9.81 A)
&rst
ixpk= 3396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.46, r4=11.96,
igr1= 294, 295, 296,
igr2= 201, 202,
&end
#
# 77 ASP HN 75 LEU MDY 7.00 (# 3397:20 Unique 6.94, 7.72 A)
&rst
ixpk= 3397, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1216,1217,1218,1220,1221,1222,
&end
#
# 119 TRP HE1 120 LEU HA 5.20 (# 3398:20 Unique 3.51, 3.80 A)
&rst
ixpk= 3398, nxpk= 20, iat=1881,1897, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
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