NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
27095 |
2ozx   |
6625 | cing | 1-original | 5 | AMBER | distance | NOE | ambi |
#
# 106 THR HN 106 THR HB 4.5 (# 0:20 Unique)
&rst
ixpk= 0, nxpk= 20, iat=1580,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 107 GLU HN 106 THR HB 4.5 (# 1:20 Unique)
&rst
ixpk= 1, nxpk= 20, iat=1594,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 THR MG2 106 THR HB 3.5 (# 2:20 Unique)
&rst
ixpk= 2, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1586,1587,1588,
&end
#
# 118 VAL MGY 106 THR HB 3.5 (# 3:20 Unique)
&rst
ixpk= 3, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1793,1794,1795,1797,1798,1799,
&end
#
# 107 GLU HN 106 THR HA 5.5 (# 4:20 Unique)
&rst
ixpk= 4, nxpk= 20, iat=1594,1582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ILE HB 106 THR HA 3.5 (# 5:20 Unique)
&rst
ixpk= 5, nxpk= 20, iat=1635,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 THR MG2 106 THR HA 3.5 (# 6:20 Unique)
&rst
ixpk= 6, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1586,1587,1588,
&end
#
# 118 VAL MGY 106 THR HA 3.5 (# 7:20 Unique)
&rst
ixpk= 7, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1793,1794,1795,1797,1798,1799,
&end
#
# 109 ILE QD1 106 THR HA 4.5 (# 8:20 Unique)
&rst
ixpk= 8, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1644,1645,1646,
&end
#
# 106 THR HN 106 THR HA 4.5 (# 9:20 Unique)
&rst
ixpk= 9, nxpk= 20, iat=1580,1582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 SER HA 40 SER HB3 3.5 (# 10:20 Unique)
&rst
ixpk= 10, nxpk= 20, iat= 579, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 HIS HA 40 SER HB3 4.5 (# 11:20 Unique)
&rst
ixpk= 11, nxpk= 20, iat= 426, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 LYS HN 40 SER HB3 3.5 (# 12:20 Unique)
&rst
ixpk= 12, nxpk= 20, iat= 588, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 HIS HA 40 SER HB2 5.5 (# 13:20 Unique)
&rst
ixpk= 13, nxpk= 20, iat= 426, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HN 40 SER HB2 3.5 (# 14:20 Unique)
&rst
ixpk= 14, nxpk= 20, iat= 588, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HA 40 SER HB2 3.5 (# 15:20 Unique)
&rst
ixpk= 15, nxpk= 20, iat= 579, 581, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:16 109 ILE HA 2.8 (# 16:20 Single)
&rst
ixpk= 16, nxpk= 20, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 168, 169, 170, 172, 173, 174,1637,1638,1639,
&end
#
# 60 VAL MGY 60 VAL HA 2.8 (# 17:20 Unique)
&rst
ixpk= 17, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 63 ASP HB3 60 VAL HA 3.5 (# 18:20 Unique)
&rst
ixpk= 18, nxpk= 20, iat= 956, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 VAL MGX 60 VAL HA 2.8 (# 19:20 Unique)
&rst
ixpk= 19, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:22 56 ILE HA 4.5 (# 22:20 Single)
&rst
ixpk= 22, nxpk= 20, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 853, 854, 905, 906,
&end
#
# 56 ILE QG2 56 ILE HA 2.8 (# 23:20 Unique)
&rst
ixpk= 23, nxpk= 20, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 849, 850, 851,
&end
#
# 56 ILE HN 56 ILE HA 4.5 (# 24:20 Unique)
&rst
ixpk= 24, nxpk= 20, iat= 843, 845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:25 56 ILE HA 5.5 (# 25:20 Single)
&rst
ixpk= 25, nxpk= 20, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 899, 900, 899, 900,
&end
#
# 56 ILE HG1+ 56 ILE HA 4.5 (# 26:20 Unique)
&rst
ixpk= 26, nxpk= 20, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 853, 854,
&end
#
# 49 TRP HH2 56 ILE HA 3.5 (# 27:20 Unique)
&rst
ixpk= 27, nxpk= 20, iat= 749, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 SER HA 94 SER HB- 5.5 (# 28:20 Unique)
&rst
ixpk= 28, nxpk= 20, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1420,1421,
&end
#
# 76 GLY HA- 94 SER HB- 5.5 (# 29:20 Unique)
&rst
ixpk= 29, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1131,1132,
igr2=1420,1421,
&end
#
# 56 ILE HN 53 HIS HA 5.5 (# 32:20 Unique)
&rst
ixpk= 32, nxpk= 20, iat= 843, 806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 HIS HB+ 53 HIS HA 4.5 (# 33:20 Unique)
&rst
ixpk= 33, nxpk= 20, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 808, 809,
&end
#
# 0 AMB 20-2:34 53 HIS HA 2.8 (# 34:20 Single)
&rst
ixpk= 34, nxpk= 20, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 856, 857, 858, 292, 336, 337, 338, 340, 341, 342,
336, 337, 338, 340, 341, 342,
&end
#
# 94 SER HN 94 SER HB+ 4.5 (# 35:20 Unique)
&rst
ixpk= 35, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1420,1421,
&end
#
# 6 LEU MDX 29 SER HB+ 5.5 (# 36:20 Unique)
&rst
ixpk= 36, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 29 SER HB- 30 ALA HN 4.5 (# 37:20 Unique)
&rst
ixpk= 37, nxpk= 20, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 445, 446,
&end
#
# 0 AMB 20-2:38 0 AMB 20-1:38 4.5 (# 38:20 Double)
&rst
ixpk= 38, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 441, 69,
igr2= 445, 446, 445, 446,
&end
#
# 29 SER HB+ 30 ALA HN 4.5 (# 39:20 Unique)
&rst
ixpk= 39, nxpk= 20, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 445, 446,
&end
#
# 29 SER HB+ 35 ALA MB 5.5 (# 40:20 Double)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446,
igr2= 522, 523, 524,
&end
#
# 0 AMB 20-2:42 29 SER HB- 4.5 (# 42:20 Single)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 522, 523, 524, 74,
igr2= 445, 446,
&end
#
# 0 AMB 20-2:43 29 SER HB- 3.5 (# 43:20 Single)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 441, 69,
igr2= 445, 446,
&end
#
# 29 SER HA 29 SER HB- 2.8 (# 44:20 Unique)
&rst
ixpk= 44, nxpk= 20, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 445, 446,
&end
#
# 29 SER HB- 39 GLU HB+ 5.5 (# 45:20 Unique)
&rst
ixpk= 45, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 445, 446,
igr2= 566, 567,
&end
#
# 29 SER HB- 39 GLU HB- 5.5 (# 46:20 Single)
&rst
ixpk= 46, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 445, 446,
igr2= 566, 567,
&end
#
# 29 SER HB- 6 LEU HG 4.5 (# 47:20 Unique)
&rst
ixpk= 47, nxpk= 20, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 445, 446,
&end
#
# 6 LEU MDY 29 SER HB- 4.5 (# 48:20 Unique)
&rst
ixpk= 48, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 29 SER HB+ 6 LEU HG 5.5 (# 49:20 Unique)
&rst
ixpk= 49, nxpk= 20, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 19 VAL MGX 80 SER HB- 7.0 (# 50:20 Unique)
&rst
ixpk= 50, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 257, 258, 259, 261, 262, 263,
igr2=1190,1191,
&end
#
# 91 TYR HE 80 SER HB- 4.5 (# 51:20 Unique)
&rst
ixpk= 51, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1377,1382,
igr2=1190,1191,
&end
#
# 19 VAL MGY 80 SER HB- 3.5 (# 52:20 Unique)
&rst
ixpk= 52, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 257, 258, 259, 261, 262, 263,
igr2=1190,1191,
&end
#
# 37 ALA HN 36 PRO HA 2.8 (# 54:20 Unique)
&rst
ixpk= 54, nxpk= 20, iat= 542, 538, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 PRO HA 36 PRO HB+ 2.8 (# 55:20 Double)
&rst
ixpk= 55, nxpk= 20, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 535, 536,
&end
#
# 36 PRO HA 37 ALA MB 4.5 (# 56:20 Double)
&rst
ixpk= 56, nxpk= 20, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 546, 547, 548,
&end
#
# 31 PRO HA 31 PRO HG- 3.5 (# 57:20 Double)
&rst
ixpk= 57, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 466, 467,
&end
#
# 4 ALA HN 31 PRO HA 3.5 (# 58:20 Unique)
&rst
ixpk= 58, nxpk= 20, iat= 47, 472, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PRO HA 30 ALA HN 5.5 (# 59:20 Double)
&rst
ixpk= 59, nxpk= 20, iat= 472, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR HN 57 TYR HA 3.5 (# 60:20 Unique)
&rst
ixpk= 60, nxpk= 20, iat= 862, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:61 57 TYR HA 2.8 (# 61:20 Single)
&rst
ixpk= 61, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 378, 379, 380, 336, 337, 338, 340, 341, 342,
&end
#
# 10 PRO HB- 10 PRO HA 2.8 (# 62:20 Unique)
&rst
ixpk= 62, nxpk= 20, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 143, 144,
&end
#
# 57 TYR HB3 57 TYR HA 4.5 (# 63:20 Unique)
&rst
ixpk= 63, nxpk= 20, iat= 867, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 TYR HB2 57 TYR HA 3.5 (# 64:20 Unique)
&rst
ixpk= 64, nxpk= 20, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 VAL HB 57 TYR HA 4.5 (# 65:20 Unique)
&rst
ixpk= 65, nxpk= 20, iat= 921, 864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 TYR HD 57 TYR HA 3.5 (# 66:20 Unique)
&rst
ixpk= 66, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 870, 879,
&end
#
# 11 ASP HN 10 PRO HA 4.5 (# 67:20 Unique)
&rst
ixpk= 67, nxpk= 20, iat= 150, 146, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 PRO HB+ 10 PRO HA 3.5 (# 68:20 Unique)
&rst
ixpk= 68, nxpk= 20, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 143, 144,
&end
#
# 61 SER HN 61 SER HB+ 4.5 (# 72:20 Unique)
&rst
ixpk= 72, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 937, 938,
&end
#
# 61 SER HN 61 SER HB- 3.5 (# 73:20 Unique)
&rst
ixpk= 73, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 61 SER HB+ 61 SER HA 3.5 (# 74:20 Unique)
&rst
ixpk= 74, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 937, 938,
&end
#
# 61 SER HB- 61 SER HA 3.5 (# 75:20 Unique)
&rst
ixpk= 75, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 937, 938,
&end
#
# 0 AMB 20-2:76 0 AMB 20-1:76 2.8 (# 76:20 Double)
&rst
ixpk= 76, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 935, 885,
igr2= 937, 938, 937, 938,
&end
#
# 0 AMB 20-2:77 61 SER HB- 2.8 (# 77:20 Single)
&rst
ixpk= 77, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 935, 885,
igr2= 937, 938,
&end
#
# 61 SER HN 61 SER HA 4.5 (# 78:20 Unique)
&rst
ixpk= 78, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 MET HB2 61 SER HA 4.5 (# 79:20 Unique)
&rst
ixpk= 79, nxpk= 20, iat= 967, 935, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 VAL HA 3 VAL HN 4.5 (# 80:20 Unique)
&rst
ixpk= 80, nxpk= 20, iat= 33, 31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 VAL HA 3 VAL HB 3.5 (# 81:20 Unique)
&rst
ixpk= 81, nxpk= 20, iat= 33, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 ALA HN 3 VAL HA 2.8 (# 83:20 Unique)
&rst
ixpk= 83, nxpk= 20, iat= 47, 33, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 VAL HA 4 ALA MB 4.5 (# 84:20 Single)
&rst
ixpk= 84, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 51, 52, 53,
&end
#
# 73 CYS HA 25 ILE QG2 2.8 (# 85:20 Single)
&rst
ixpk= 85, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 371, 372, 373,
&end
#
# 44 VAL MGX 105 SER HB3 5.5 (# 86:20 Unique)
&rst
ixpk= 86, nxpk= 20, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 0 AMB 20-2:87 90 VAL HA 5.5 (# 87:20 Single)
&rst
ixpk= 87, nxpk= 20, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1177,1178,1173,1174,1175,
&end
#
# 90 VAL MGX 90 VAL HA 3.5 (# 88:20 Unique)
&rst
ixpk= 88, nxpk= 20, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 91 TYR HN 90 VAL HA 3.5 (# 89:20 Unique)
&rst
ixpk= 89, nxpk= 20, iat=1367,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 90 VAL MGY 90 VAL HA 3.5 (# 90:20 Unique)
&rst
ixpk= 90, nxpk= 20, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 44 VAL MGY 105 SER HB3 4.5 (# 92:20 Unique)
&rst
ixpk= 92, nxpk= 20, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 105 SER HN 105 SER HB2 4.5 (# 93:20 Unique)
&rst
ixpk= 93, nxpk= 20, iat=1569,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 THR HN 105 SER HB2 5.5 (# 94:20 Unique)
&rst
ixpk= 94, nxpk= 20, iat=1580,1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HB 12 VAL HA 2.8 (# 95:20 Unique)
&rst
ixpk= 95, nxpk= 20, iat= 648, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 VAL HN 12 VAL HA 4.5 (# 96:20 Unique)
&rst
ixpk= 96, nxpk= 20, iat= 162, 164, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 SER HN 105 SER HB3 4.5 (# 97:20 Unique)
&rst
ixpk= 97, nxpk= 20, iat=1569,1574, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASP HN 12 VAL HA 2.8 (# 98:20 Unique)
&rst
ixpk= 98, nxpk= 20, iat= 178, 164, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:99 12 VAL HA 2.8 (# 99:20 Single)
&rst
ixpk= 99, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 168, 169, 170, 172, 173, 174, 196, 197, 198,
&end
#
# 44 VAL HN 12 VAL HA 5.5 (# 100:20 Unique)
&rst
ixpk= 100, nxpk= 20, iat= 644, 164, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL MGY 12 VAL HA 3.5 (# 101:20 Unique)
&rst
ixpk= 101, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:103 105 SER HA 5.5 (# 103:20 Single)
&rst
ixpk= 103, nxpk= 20, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1619,1620,1616,1617,1614,
&end
#
# 125 TYR HN 125 TYR HA 3.5 (# 104:20 Unique)
&rst
ixpk= 104, nxpk= 20, iat=1884,1886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:105 125 TYR HA 3.5 (# 105:20 Single)
&rst
ixpk= 105, nxpk= 20, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1892,1901,1375,1384,
&end
#
# 125 TYR HB+ 125 TYR HA 2.8 (# 106:20 Unique)
&rst
ixpk= 106, nxpk= 20, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1888,1889,
&end
#
# 125 TYR HB- 125 TYR HA 2.8 (# 107:20 Unique)
&rst
ixpk= 107, nxpk= 20, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1888,1889,
&end
#
# 0 AMB 20-2:108 107 GLU HA 5.5 (# 108:20 Single)
&rst
ixpk= 108, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1657,1658,1676,1677,1678,
&end
#
# 107 GLU HN 107 GLU HA 2.8 (# 109:20 Unique)
&rst
ixpk= 109, nxpk= 20, iat=1594,1596, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 GLU HG+ 107 GLU HA 3.5 (# 110:20 Unique)
&rst
ixpk= 110, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1601,1602,
&end
#
# 107 GLU HG- 107 GLU HA 4.5 (# 111:20 Unique)
&rst
ixpk= 111, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1601,1602,
&end
#
# 107 GLU HB+ 107 GLU HA 2.8 (# 112:20 Unique)
&rst
ixpk= 112, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1598,1599,
&end
#
# 110 LYS HB- 107 GLU HA 3.5 (# 113:20 Unique)
&rst
ixpk= 113, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1654,1655,
&end
#
# 0 AMB 20-2:114 107 GLU HA 4.5 (# 114:20 Single)
&rst
ixpk= 114, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1660,1661,1657,1658,1635,
&end
#
# 0 AMB 20-2:115 0 AMB 20-1:115 3.5 (# 115:20 Double)
&rst
ixpk= 115, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1186, 330,
igr2=1169, 332,
&end
#
# 0 AMB 20-2:116 79 ILE HA 3.5 (# 116:20 Single)
&rst
ixpk= 116, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1177,1178,1173,1174,1175,
&end
#
# 59 LYS HE+ 59 LYS HA 5.5 (# 118:20 Unique)
&rst
ixpk= 118, nxpk= 20, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 908, 909,
&end
#
# 60 VAL HN 59 LYS HA 5.5 (# 119:20 Unique)
&rst
ixpk= 119, nxpk= 20, iat= 917, 897, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS HN 59 LYS HA 3.5 (# 120:20 Unique)
&rst
ixpk= 120, nxpk= 20, iat= 895, 897, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HN 23 VAL HA 3.5 (# 121:20 Unique)
&rst
ixpk= 121, nxpk= 20, iat= 346, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:122 23 VAL HA 2.8 (# 122:20 Single)
&rst
ixpk= 122, nxpk= 20, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,
&end
#
# 77 GLY HN 23 VAL HA 5.5 (# 123:20 Unique)
&rst
ixpk= 123, nxpk= 20, iat=1136, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 VAL HB 23 VAL HA 3.5 (# 124:20 Unique)
&rst
ixpk= 124, nxpk= 20, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:125 59 LYS HA 2.8 (# 125:20 Single)
&rst
ixpk= 125, nxpk= 20, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 899, 900, 899, 900,
&end
#
# 59 LYS HG+ 59 LYS HA 2.8 (# 126:20 Unique)
&rst
ixpk= 126, nxpk= 20, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 902, 903,
&end
#
# 0 AMB 20-2:127 59 LYS HA 3.5 (# 127:20 Single)
&rst
ixpk= 127, nxpk= 20, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 905, 906, 905, 906,
&end
#
# 76 GLY HA- 23 VAL HA 4.5 (# 128:20 Unique)
&rst
ixpk= 128, nxpk= 20, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1131,1132,
&end
#
# 65 GLN HA 65 GLN HN 3.5 (# 129:20 Unique)
&rst
ixpk= 129, nxpk= 20, iat= 982, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 GLN HG+ 65 GLN HA 3.5 (# 130:20 Unique)
&rst
ixpk= 130, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 987, 988,
&end
#
# 65 GLN HG- 65 GLN HA 3.5 (# 131:20 Unique)
&rst
ixpk= 131, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 987, 988,
&end
#
# 0 AMB 20-2:132 65 GLN HA 2.8 (# 132:20 Single)
&rst
ixpk= 132, nxpk= 20, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 985, 984,
&end
#
# 66 LYS HN 65 GLN HA 5.5 (# 133:20 Unique)
&rst
ixpk= 133, nxpk= 20, iat= 997, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:134 0 AMB 20-1:134 5.5 (# 134:20 Double)
&rst
ixpk= 134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 388, 921, 617, 618,
igr2=1094, 897,
&end
#
# 110 LYS HB+ 110 LYS HA 3.5 (# 135:20 Unique)
&rst
ixpk= 135, nxpk= 20, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1654,1655,
&end
#
# 69 CYS HN 65 GLN HA 2.8 (# 136:20 Unique)
&rst
ixpk= 136, nxpk= 20, iat=1043, 982, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 LYS HG- 110 LYS HA 3.5 (# 137:20 Unique)
&rst
ixpk= 137, nxpk= 20, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1657,1658,
&end
#
# 118 VAL MGX 110 LYS HA 3.5 (# 138:20 Unique)
&rst
ixpk= 138, nxpk= 20, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1793,1794,1795,1797,1798,1799,
&end
#
# 110 LYS HB- 110 LYS HA 4.5 (# 139:20 Unique)
&rst
ixpk= 139, nxpk= 20, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1654,1655,
&end
#
# 0 AMB 20-2:140 0 AMB 20-1:140 2.8 (# 140:20 Double)
&rst
ixpk= 140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 997,1122,
igr2= 999,1094,
&end
#
# 67 GLN HN 66 LYS HA 4.5 (# 141:20 Unique)
&rst
ixpk= 141, nxpk= 20, iat=1019, 999, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:142 0 AMB 20-1:142 2.8 (# 142:20 Double)
&rst
ixpk= 142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1096,1097,1001,1002,
igr2=1094, 999,
&end
#
# 66 LYS HG+ 66 LYS HA 3.5 (# 143:20 Unique)
&rst
ixpk= 143, nxpk= 20, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1004,1005,
&end
#
# 73 CYS HA 25 ILE QG2 4.5 (# 144:20 Single)
&rst
ixpk= 144, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 371, 372, 373,
&end
#
# 73 CYS HB- 73 CYS HA 5.5 (# 145:20 Unique)
&rst
ixpk= 145, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1097,
&end
#
# 0 AMB 20-2:146 73 CYS HA 4.5 (# 146:20 Single)
&rst
ixpk= 146, nxpk= 20, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1092, 384,
&end
#
# 25 ILE HA 73 CYS HA 2.8 (# 147:20 Unique)
&rst
ixpk= 147, nxpk= 20, iat= 367,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 LEU HN 73 CYS HA 2.8 (# 148:20 Unique)
&rst
ixpk= 148, nxpk= 20, iat=1103,1094, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 GLN HB+ 82 GLN HA 2.8 (# 149:20 Unique)
&rst
ixpk= 149, nxpk= 20, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1218,1219,
&end
#
# 82 GLN HG+ 82 GLN HA 3.5 (# 150:20 Unique)
&rst
ixpk= 150, nxpk= 20, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1221,1222,
&end
#
# 95 MET HB+ 95 MET HA 3.5 (# 151:20 Unique)
&rst
ixpk= 151, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1431,1432,
&end
#
# 95 MET HB- 95 MET HA 2.8 (# 152:20 Unique)
&rst
ixpk= 152, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1431,1432,
&end
#
# 0 AMB 20-2:153 95 MET HA 4.5 (# 153:20 Single)
&rst
ixpk= 153, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1403,1412,1405,1410,
&end
#
# 95 MET HG- 95 MET HA 3.5 (# 154:20 Unique)
&rst
ixpk= 154, nxpk= 20, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1434,1435,
&end
#
# 29 SER HB- 29 SER HA 3.5 (# 155:20 Unique)
&rst
ixpk= 155, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 445, 446,
&end
#
# 29 SER HA 6 LEU HB3 7.0 (# 156:20 Single)
&rst
ixpk= 156, nxpk= 20, iat= 443, 74, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 LEU MDY 29 SER HA 3.5 (# 157:20 Unique)
&rst
ixpk= 157, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 29 SER HN 29 SER HA 3.5 (# 158:20 Unique)
&rst
ixpk= 158, nxpk= 20, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 SER HA 30 ALA HN 2.8 (# 159:20 Unique)
&rst
ixpk= 159, nxpk= 20, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 ILE HG1- 9 ILE HA 4.5 (# 161:20 Unique)
&rst
ixpk= 161, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 127, 128,
&end
#
# 9 ILE HG1+ 9 ILE HA 3.5 (# 162:20 Unique)
&rst
ixpk= 162, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 127, 128,
&end
#
# 0 AMB 20-2:163 58 ASP HA 3.5 (# 163:20 Single)
&rst
ixpk= 163, nxpk= 20, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 870, 879, 895,
&end
#
# 0 AMB 20-2:164 102 HIS HA 5.5 (# 164:20 Single)
&rst
ixpk= 164, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:165 0 AMB 20-1:165 4.5 (# 165:20 Double)
&rst
ixpk= 165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 783,1540,
igr2= 770,1525,
&end
#
# 9 ILE HN 9 ILE HA 4.5 (# 166:20 Unique)
&rst
ixpk= 166, nxpk= 20, iat= 117, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 PRO HD+ 9 ILE HA 3.5 (# 167:20 Unique)
&rst
ixpk= 167, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 137, 138,
&end
#
# 9 ILE HA 9 ILE QG2 2.8 (# 168:20 Unique)
&rst
ixpk= 168, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 123, 124, 125,
&end
#
# 58 ASP HN 58 ASP HA 3.5 (# 169:20 Unique)
&rst
ixpk= 169, nxpk= 20, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 HIS HN 102 HIS HA 3.5 (# 170:20 Unique)
&rst
ixpk= 170, nxpk= 20, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 HIS HB2 102 HIS HA 4.5 (# 171:20 Unique)
&rst
ixpk= 171, nxpk= 20, iat=1527,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:172 51 GLU HA 2.8 (# 172:20 Single)
&rst
ixpk= 172, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 772, 773, 775, 776,
&end
#
# 51 GLU HG+ 51 GLU HA 3.5 (# 173:20 Unique)
&rst
ixpk= 173, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 775, 776,
&end
#
# 0 AMB 20-2:174 0 AMB 20-1:174 5.5 (# 174:20 Double)
&rst
ixpk= 174, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 355, 356, 357, 359, 360, 361, 762, 763, 764,
igr2=1525, 770,
&end
#
# 102 HIS HB3 102 HIS HA 3.5 (# 175:20 Unique)
&rst
ixpk= 175, nxpk= 20, iat=1528,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HB+ 58 ASP HA 3.5 (# 176:20 Unique)
&rst
ixpk= 176, nxpk= 20, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 887, 888,
&end
#
# 58 ASP HB- 58 ASP HA 2.8 (# 177:20 Unique)
&rst
ixpk= 177, nxpk= 20, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 887, 888,
&end
#
# 108 LYS HN 108 LYS HA 3.5 (# 178:20 Unique)
&rst
ixpk= 178, nxpk= 20, iat=1609,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 LYS HB2 108 LYS HA 3.5 (# 179:20 Unique)
&rst
ixpk= 179, nxpk= 20, iat=1613,1611, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:180 108 LYS HA 2.8 (# 180:20 Single)
&rst
ixpk= 180, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1616,1617,1619,1620,1614,
&end
#
# 111 ALA MB 108 LYS HA 2.8 (# 181:20 Unique)
&rst
ixpk= 181, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1676,1677,1678,
&end
#
# 0 AMB 20-2:182 108 LYS HA 3.5 (# 182:20 Single)
&rst
ixpk= 182, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1616,1617,1692,1693,
&end
#
# 51 GLU HN 51 GLU HA 3.5 (# 183:20 Unique)
&rst
ixpk= 183, nxpk= 20, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 GLU HB- 51 GLU HA 3.5 (# 184:20 Unique)
&rst
ixpk= 184, nxpk= 20, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 772, 773,
&end
#
# 90 VAL MGX 102 HIS HA 4.5 (# 185:20 Unique)
&rst
ixpk= 185, nxpk= 20, iat= -1,1525, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 43 ILE HA 11 ASP HA 4.5 (# 186:20 Unique)
&rst
ixpk= 186, nxpk= 20, iat= 627, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ILE QG2 11 ASP HA 2.8 (# 187:20 Unique)
&rst
ixpk= 187, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 631, 632, 633,
&end
#
# 58 ASP HB- 55 ASP HA 4.5 (# 188:20 Unique)
&rst
ixpk= 188, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 887, 888,
&end
#
# 11 ASP HB+ 11 ASP HA 3.5 (# 189:20 Unique)
&rst
ixpk= 189, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 154, 155,
&end
#
# 11 ASP HA 11 ASP HB- 3.5 (# 190:20 Single)
&rst
ixpk= 190, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 154, 155,
&end
#
# 55 ASP HN 55 ASP HA 3.5 (# 191:20 Unique)
&rst
ixpk= 191, nxpk= 20, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ILE HN 55 ASP HA 5.5 (# 192:20 Unique)
&rst
ixpk= 192, nxpk= 20, iat= 843, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP HB+ 55 ASP HA 3.5 (# 193:20 Unique)
&rst
ixpk= 193, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 887, 888,
&end
#
# 55 ASP HB3 55 ASP HA 3.5 (# 194:20 Unique)
&rst
ixpk= 194, nxpk= 20, iat= 836, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ASP HB2 55 ASP HA 3.5 (# 195:20 Unique)
&rst
ixpk= 195, nxpk= 20, iat= 835, 833, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:196 21 LYS HA 4.5 (# 196:20 Single)
&rst
ixpk= 196, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1150,1151, 297, 298,
&end
#
# 21 LYS HB3 21 LYS HA 4.5 (# 197:20 Unique)
&rst
ixpk= 197, nxpk= 20, iat= 292, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 ARG HB+ 21 LYS HA 5.5 (# 198:20 Unique)
&rst
ixpk= 198, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1147,1148,
&end
#
# 63 ASP HN 63 ASP HA 3.5 (# 199:20 Unique)
&rst
ixpk= 199, nxpk= 20, iat= 951, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 ASP HB3 63 ASP HA 3.5 (# 200:20 Unique)
&rst
ixpk= 200, nxpk= 20, iat= 956, 953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 ASP HB2 63 ASP HA 2.8 (# 201:20 Unique)
&rst
ixpk= 201, nxpk= 20, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 LYS HB+ 63 ASP HA 3.5 (# 202:20 Unique)
&rst
ixpk= 202, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1001,1002,
&end
#
# 0 AMB 20-2:203 63 ASP HA 3.5 (# 203:20 Single)
&rst
ixpk= 203, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1007,1008,1004,1005,
&end
#
# 66 LYS HG- 63 ASP HA 5.5 (# 204:20 Unique)
&rst
ixpk= 204, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1004,1005,
&end
#
# 66 LYS HN 63 ASP HA 5.5 (# 205:20 Unique)
&rst
ixpk= 205, nxpk= 20, iat= 997, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 TYR HN 21 LYS HA 3.5 (# 206:20 Unique)
&rst
ixpk= 206, nxpk= 20, iat= 309, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ALA HN 6 LEU HA 5.5 (# 207:20 Unique)
&rst
ixpk= 207, nxpk= 20, iat= 88, 71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HN 64 MET HA 5.5 (# 208:20 Unique)
&rst
ixpk= 208, nxpk= 20, iat=1019, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HB3 6 LEU HA 3.5 (# 209:20 Unique)
&rst
ixpk= 209, nxpk= 20, iat= 74, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ILE HG1+ 6 LEU HA 5.5 (# 210:20 Unique)
&rst
ixpk= 210, nxpk= 20, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 127, 128,
&end
#
# 6 LEU HN 6 LEU HA 3.5 (# 211:20 Unique)
&rst
ixpk= 211, nxpk= 20, iat= 69, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:212 6 LEU HA 4.5 (# 212:20 Single)
&rst
ixpk= 212, nxpk= 20, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 117, 98,
&end
#
# 6 LEU HA 6 LEU HB2 3.5 (# 213:20 Single)
&rst
ixpk= 213, nxpk= 20, iat= 71, 73, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LEU HG 6 LEU HA 3.5 (# 214:20 Unique)
&rst
ixpk= 214, nxpk= 20, iat= 76, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:215 6 LEU HA 4.5 (# 215:20 Single)
&rst
ixpk= 215, nxpk= 20, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 127, 128, 598, 599,
&end
#
# 9 ILE QD1 6 LEU HA 2.8 (# 216:20 Unique)
&rst
ixpk= 216, nxpk= 20, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 130, 131, 132,
&end
#
# 6 LEU MDY 6 LEU HA 2.8 (# 217:20 Unique)
&rst
ixpk= 217, nxpk= 20, iat= -1, 71, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 65 GLN HN 64 MET HA 5.5 (# 218:20 Unique)
&rst
ixpk= 218, nxpk= 20, iat= 980, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 CYS HN 64 MET HA 7.0 (# 219:20 Unique)
&rst
ixpk= 219, nxpk= 20, iat=1043, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 MET HG+ 64 MET HA 3.5 (# 220:20 Unique)
&rst
ixpk= 220, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 970, 971,
&end
#
# 64 MET HG- 64 MET HA 4.5 (# 221:20 Unique)
&rst
ixpk= 221, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 970, 971,
&end
#
# 0 AMB 20-2:222 64 MET HA 2.8 (# 222:20 Single)
&rst
ixpk= 222, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1023, 967,
&end
#
# 64 MET ME 64 MET HA 3.5 (# 223:20 Unique)
&rst
ixpk= 223, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 974, 975, 976,
&end
#
# 64 MET HN 64 MET HA 3.5 (# 224:20 Unique)
&rst
ixpk= 224, nxpk= 20, iat= 963, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:225 64 MET HA 2.8 (# 225:20 Single)
&rst
ixpk= 225, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1026,1027,1047,
&end
#
# 64 MET HB3 64 MET HA 3.5 (# 226:20 Unique)
&rst
ixpk= 226, nxpk= 20, iat= 968, 965, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 ALA HN 49 TRP HA 4.5 (# 229:20 Unique)
&rst
ixpk= 229, nxpk= 20, iat= 758, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 LYS HN 112 LYS HA 3.5 (# 230:20 Unique)
&rst
ixpk= 230, nxpk= 20, iat=1682,1684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 LYS HG+ 112 LYS HA 3.5 (# 231:20 Unique)
&rst
ixpk= 231, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1689,1690,
&end
#
# 49 TRP HD1 49 TRP HA 4.5 (# 232:20 Unique)
&rst
ixpk= 232, nxpk= 20, iat= 742, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 TRP HB+ 49 TRP HA 2.8 (# 233:20 Unique)
&rst
ixpk= 233, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 738, 739,
&end
#
# 49 TRP HB- 49 TRP HA 2.8 (# 234:20 Unique)
&rst
ixpk= 234, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 738, 739,
&end
#
# 112 LYS HD- 112 LYS HA 3.5 (# 235:20 Unique)
&rst
ixpk= 235, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1692,1693,
&end
#
# 113 TYR HN 112 LYS HA 5.5 (# 236:20 Unique)
&rst
ixpk= 236, nxpk= 20, iat=1704,1684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 GLU HG+ 117 GLU HA 3.5 (# 237:20 Unique)
&rst
ixpk= 237, nxpk= 20, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1779,1780,
&end
#
# 117 GLU HB+ 117 GLU HA 4.5 (# 238:20 Unique)
&rst
ixpk= 238, nxpk= 20, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1776,1777,
&end
#
# 117 GLU HB- 117 GLU HA 2.8 (# 239:20 Unique)
&rst
ixpk= 239, nxpk= 20, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1776,1777,
&end
#
# 0 AMB 20-2:240 39 GLU HA 2.8 (# 240:20 Single)
&rst
ixpk= 240, nxpk= 20, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 577, 562,
&end
#
# 0 AMB 20-2:241 39 GLU HA 2.8 (# 241:20 Single)
&rst
ixpk= 241, nxpk= 20, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 569, 570, 569, 570,
&end
#
# 39 GLU HB+ 39 GLU HA 2.8 (# 242:20 Unique)
&rst
ixpk= 242, nxpk= 20, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 566, 567,
&end
#
# 39 GLU HB- 39 GLU HA 2.8 (# 243:20 Unique)
&rst
ixpk= 243, nxpk= 20, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 566, 567,
&end
#
# 6 LEU MDX 39 GLU HA 5.5 (# 244:20 Unique)
&rst
ixpk= 244, nxpk= 20, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 118 VAL HN 117 GLU HA 2.8 (# 245:20 Unique)
&rst
ixpk= 245, nxpk= 20, iat=1787,1774, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:251 41 LYS HA 5.5 (# 251:20 Single)
&rst
ixpk= 251, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 595, 596, 391, 392,
&end
#
# 41 LYS HN 41 LYS HA 4.5 (# 252:20 Unique)
&rst
ixpk= 252, nxpk= 20, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 GLU HN 41 LYS HA 2.8 (# 253:20 Unique)
&rst
ixpk= 253, nxpk= 20, iat= 610, 590, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:254 41 LYS HA 2.8 (# 254:20 Single)
&rst
ixpk= 254, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 592, 593, 592, 593,
&end
#
# 41 LYS HG+ 41 LYS HA 5.5 (# 255:20 Unique)
&rst
ixpk= 255, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 595, 596,
&end
#
# 6 LEU MDX 41 LYS HA 5.5 (# 256:20 Unique)
&rst
ixpk= 256, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 2 ALA HN 1 MET HA 4.5 (# 257:20 Unique)
&rst
ixpk= 257, nxpk= 20, iat= 21, 6, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 1 MET HA 1 MET HB+ 3.5 (# 259:20 Unique)
&rst
ixpk= 259, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 8, 9,
&end
#
# 1 MET HA 1 MET HB- 4.5 (# 260:20 Unique)
&rst
ixpk= 260, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 8, 9,
&end
#
# 103 ALA MB 103 ALA HA 2.8 (# 261:20 Unique)
&rst
ixpk= 261, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1544,1545,1546,
&end
#
# 68 GLY HN 67 GLN HA 3.5 (# 262:20 Unique)
&rst
ixpk= 262, nxpk= 20, iat=1036,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:263 67 GLN HA 2.8 (# 263:20 Single)
&rst
ixpk= 263, nxpk= 20, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1024,1026,1027,
&end
#
# 67 GLN HA 67 GLN HB2 3.5 (# 264:20 Unique)
&rst
ixpk= 264, nxpk= 20, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:267 103 ALA HA 4.5 (# 267:20 Single)
&rst
ixpk= 267, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1584,1525,
&end
#
# 67 GLN HN 67 GLN HA 3.5 (# 268:20 Unique)
&rst
ixpk= 268, nxpk= 20, iat=1019,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LEU MDX 8 LEU HA 3.5 (# 269:20 Unique)
&rst
ixpk= 269, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 8 LEU MDY 8 LEU HA 2.8 (# 270:20 Unique)
&rst
ixpk= 270, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 81 HIS HB+ 81 HIS HA 3.5 (# 271:20 Unique)
&rst
ixpk= 271, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1201,1202,
&end
#
# 81 HIS HB- 81 HIS HA 4.5 (# 272:20 Unique)
&rst
ixpk= 272, nxpk= 20, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1201,1202,
&end
#
# 101 GLN HN 101 GLN HA 3.5 (# 273:20 Unique)
&rst
ixpk= 273, nxpk= 20, iat=1506,1508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LEU HB- 8 LEU HA 2.8 (# 274:20 Unique)
&rst
ixpk= 274, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 102, 103,
&end
#
# 0 AMB 20-2:275 8 LEU HA 3.5 (# 275:20 Single)
&rst
ixpk= 275, nxpk= 20, iat= -1, 100, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 98, 117,
&end
#
# 102 HIS HN 101 GLN HA 2.8 (# 276:20 Unique)
&rst
ixpk= 276, nxpk= 20, iat=1523,1508, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 GLN HG- 101 GLN HA 3.5 (# 277:20 Unique)
&rst
ixpk= 277, nxpk= 20, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1513,1514,
&end
#
# 101 GLN HB+ 101 GLN HA 3.5 (# 278:20 Unique)
&rst
ixpk= 278, nxpk= 20, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1510,1511,
&end
#
# 101 GLN HB- 101 GLN HA 2.8 (# 279:20 Unique)
&rst
ixpk= 279, nxpk= 20, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1510,1511,
&end
#
# 96 ALA MB 96 ALA HA 2.8 (# 280:20 Unique)
&rst
ixpk= 280, nxpk= 20, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1448,1449,1450,
&end
#
# 74 LEU HN 74 LEU HA 4.5 (# 281:20 Unique)
&rst
ixpk= 281, nxpk= 20, iat=1103,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 LEU HB3 74 LEU HA 3.5 (# 282:20 Unique)
&rst
ixpk= 282, nxpk= 20, iat=1108,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 LEU HB2 74 LEU HA 4.5 (# 283:20 Unique)
&rst
ixpk= 283, nxpk= 20, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 LEU MDY 74 LEU HA 2.8 (# 284:20 Unique)
&rst
ixpk= 284, nxpk= 20, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 111 ALA HN 111 ALA HA 2.8 (# 285:20 Unique)
&rst
ixpk= 285, nxpk= 20, iat=1672,1674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 111 ALA MB 111 ALA HA 2.8 (# 286:20 Unique)
&rst
ixpk= 286, nxpk= 20, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1676,1677,1678,
&end
#
# 7 ALA HN 7 ALA HA 3.5 (# 287:20 Unique)
&rst
ixpk= 287, nxpk= 20, iat= 88, 90, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 ALA MB 7 ALA HA 2.8 (# 288:20 Unique)
&rst
ixpk= 288, nxpk= 20, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 92, 93, 94,
&end
#
# 0 AMB 20-2:289 7 ALA HA 3.5 (# 289:20 Single)
&rst
ixpk= 289, nxpk= 20, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 98, 117,
&end
#
# 5 ASP HA 8 LEU HN 5.5 (# 290:20 Single)
&rst
ixpk= 290, nxpk= 20, iat= 59, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ASP HA 6 LEU HB2 5.5 (# 291:20 Single)
&rst
ixpk= 291, nxpk= 20, iat= 59, 73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HN 5 ASP HA 2.8 (# 292:20 Unique)
&rst
ixpk= 292, nxpk= 20, iat= 69, 59, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 ALA HN 5 ASP HA 4.5 (# 293:20 Unique)
&rst
ixpk= 293, nxpk= 20, iat= 88, 59, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ASP HN 5 ASP HA 3.5 (# 294:20 Unique)
&rst
ixpk= 294, nxpk= 20, iat= 57, 59, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ASP HB+ 5 ASP HA 2.8 (# 295:20 Unique)
&rst
ixpk= 295, nxpk= 20, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 61, 62,
&end
#
# 5 ASP HB- 5 ASP HA 2.8 (# 296:20 Unique)
&rst
ixpk= 296, nxpk= 20, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 61, 62,
&end
#
# 5 ASP HA 6 LEU HG 5.5 (# 297:20 Single)
&rst
ixpk= 297, nxpk= 20, iat= 59, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 ALA HN 4 ALA HA 3.5 (# 300:20 Unique)
&rst
ixpk= 300, nxpk= 20, iat= 47, 49, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ASP HN 4 ALA HA 2.8 (# 301:20 Unique)
&rst
ixpk= 301, nxpk= 20, iat= 57, 49, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ASP HB- 4 ALA HA 5.5 (# 302:20 Unique)
&rst
ixpk= 302, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 61, 62,
&end
#
# 4 ALA MB 4 ALA HA 2.8 (# 303:20 Unique)
&rst
ixpk= 303, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 51, 52, 53,
&end
#
# 8 LEU MDX 4 ALA HA 5.5 (# 304:20 Unique)
&rst
ixpk= 304, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:307 38 ALA HA 2.8 (# 307:20 Single)
&rst
ixpk= 307, nxpk= 20, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 552, 562,
&end
#
# 38 ALA HA 39 GLU HB- 5.5 (# 308:20 Double)
&rst
ixpk= 308, nxpk= 20, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 566, 567,
&end
#
# 38 ALA MB 38 ALA HA 2.8 (# 309:20 Unique)
&rst
ixpk= 309, nxpk= 20, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 556, 557, 558,
&end
#
# 38 ALA HA 39 GLU HG- 5.5 (# 310:20 Single)
&rst
ixpk= 310, nxpk= 20, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 569, 570,
&end
#
# 49 TRP HZ3 50 ALA HA 4.5 (# 311:20 Unique)
&rst
ixpk= 311, nxpk= 20, iat= 751, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ASP HB3 50 ALA HA 4.5 (# 312:20 Unique)
&rst
ixpk= 312, nxpk= 20, iat= 836, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 VAL HN 2 ALA HA 2.8 (# 313:20 Unique)
&rst
ixpk= 313, nxpk= 20, iat= 31, 23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:314 2 ALA HA 4.5 (# 314:20 Single)
&rst
ixpk= 314, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 37, 38, 39, 41, 42, 43, 37, 38, 39, 41,
42, 43,
&end
#
# 51 GLU HN 50 ALA HA 2.8 (# 315:20 Unique)
&rst
ixpk= 315, nxpk= 20, iat= 768, 760, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 TRP HE3 50 ALA HA 2.8 (# 316:20 Unique)
&rst
ixpk= 316, nxpk= 20, iat= 753, 760, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 ALA HN 50 ALA HA 4.5 (# 317:20 Unique)
&rst
ixpk= 317, nxpk= 20, iat= 758, 760, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:318 50 ALA HA 4.5 (# 318:20 Single)
&rst
ixpk= 318, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 775, 776, 772, 773,
&end
#
# 50 ALA MB 50 ALA HA 2.8 (# 319:20 Unique)
&rst
ixpk= 319, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 762, 763, 764,
&end
#
# 52 TYR HN 50 ALA HA 5.5 (# 320:20 Unique)
&rst
ixpk= 320, nxpk= 20, iat= 783, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ALA HA 1 MET HB+ 5.5 (# 321:20 Double)
&rst
ixpk= 321, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 8, 9,
&end
#
# 55 ASP HB2 50 ALA HA 5.5 (# 323:20 Unique)
&rst
ixpk= 323, nxpk= 20, iat= 835, 760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA MB 37 ALA HA 2.8 (# 324:20 Unique)
&rst
ixpk= 324, nxpk= 20, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 546, 547, 548,
&end
#
# 121 ALA HA 120 TRP HZ3 4.5 (# 325:20 Unique)
&rst
ixpk= 325, nxpk= 20, iat=1843,1834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ASN HN 121 ALA HA 3.5 (# 326:20 Unique)
&rst
ixpk= 326, nxpk= 20, iat=1851,1843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 TRP HD1 121 ALA HA 7.0 (# 327:20 Unique)
&rst
ixpk= 327, nxpk= 20, iat=1825,1843, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 121 ALA HA 121 ALA HN 4.5 (# 328:20 Unique)
&rst
ixpk= 328, nxpk= 20, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 ALA MB 121 ALA HA 2.8 (# 329:20 Unique)
&rst
ixpk= 329, nxpk= 20, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1845,1846,1847,
&end
#
# 10 PRO HG+ 10 PRO HD- 2.8 (# 330:20 Unique)
&rst
ixpk= 330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 140, 141,
igr2= 137, 138,
&end
#
# 9 ILE HA 10 PRO HD+ 2.8 (# 331:20 Unique)
&rst
ixpk= 331, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 137, 138,
&end
#
# 10 PRO HD- 9 ILE QG2 3.5 (# 332:20 Unique)
&rst
ixpk= 332, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 137, 138,
igr2= 123, 124, 125,
&end
#
# 10 PRO HG+ 10 PRO HD+ 3.5 (# 333:20 Unique)
&rst
ixpk= 333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 140, 141,
igr2= 137, 138,
&end
#
# 10 PRO HD+ 9 ILE QG2 3.5 (# 334:20 Unique)
&rst
ixpk= 334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 137, 138,
igr2= 123, 124, 125,
&end
#
# 75 GLY HA- 100 ALA HA 5.5 (# 335:20 Unique)
&rst
ixpk= 335, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1124,1125,
&end
#
# 101 GLN HN 100 ALA HA 2.8 (# 336:20 Unique)
&rst
ixpk= 336, nxpk= 20, iat=1506,1498, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 ALA HN 100 ALA HA 4.5 (# 337:20 Unique)
&rst
ixpk= 337, nxpk= 20, iat=1496,1498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:338 100 ALA HA 2.8 (# 338:20 Single)
&rst
ixpk= 338, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:339 0 AMB 20-1:339 3.5 (# 339:20 Double)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 532, 533, 466, 467,
igr2= 529, 530, 463, 464,
&end
#
# 0 AMB 20-2:340 0 AMB 20-1:340 2.8 (# 340:20 Double)
&rst
ixpk= 340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 520, 454,
igr2= 529, 530, 463, 464,
&end
#
# 31 PRO HD+ 30 ALA MB 3.5 (# 341:20 Double)
&rst
ixpk= 341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 463, 464,
igr2= 456, 457, 458,
&end
#
# 31 PRO HD+ 31 PRO HB+ 4.5 (# 345:20 Double)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 463, 464,
igr2= 469, 470,
&end
#
# 98 GLY HA+ 99 PRO HD+ 3.5 (# 349:20 Unique)
&rst
ixpk= 349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1477,1478,
igr2=1483,1484,
&end
#
# 99 PRO HG+ 99 PRO HD+ 3.5 (# 350:20 Unique)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1486,1487,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:351 0 AMB 20-1:351 3.5 (# 351:20 Double)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1486,1487,1489,1490,
igr2=1483,1484,1483,1484,
&end
#
# 22 TYR HA 46 GLY HA+ 4.5 (# 352:20 Unique)
&rst
ixpk= 352, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 686, 687,
&end
#
# 56 ILE QD1 46 GLY HA+ 3.5 (# 354:20 Unique)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 856, 857, 858,
igr2= 686, 687,
&end
#
# 47 TYR HN 46 GLY HA+ 3.5 (# 355:20 Unique)
&rst
ixpk= 355, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 686, 687,
&end
#
# 63 ASP HN 62 GLY HA+ 4.5 (# 356:20 Unique)
&rst
ixpk= 356, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 65 GLN HB2 62 GLY HA+ 4.5 (# 357:20 Unique)
&rst
ixpk= 357, nxpk= 20, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 62 GLY HN 62 GLY HA+ 2.8 (# 358:20 Unique)
&rst
ixpk= 358, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 946, 947,
&end
#
# 62 GLY HN 62 GLY HA- 2.8 (# 359:20 Unique)
&rst
ixpk= 359, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 946, 947,
&end
#
# 65 GLN HB2 62 GLY HA- 4.5 (# 360:20 Unique)
&rst
ixpk= 360, nxpk= 20, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 63 ASP HN 62 GLY HA- 4.5 (# 361:20 Unique)
&rst
ixpk= 361, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 946, 947,
&end
#
# 78 ARG HN 77 GLY HA+ 3.5 (# 362:20 Unique)
&rst
ixpk= 362, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1138,1139,
&end
#
# 78 ARG HN 77 GLY HA- 3.5 (# 363:20 Unique)
&rst
ixpk= 363, nxpk= 20, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1138,1139,
&end
#
# 77 GLY HA- 22 TYR HE 4.5 (# 364:20 Single)
&rst
ixpk= 364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1138,1139,
igr2= 319, 324,
&end
#
# 77 GLY HA+ 22 TYR HE 3.5 (# 365:20 Double)
&rst
ixpk= 365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1138,1139,
igr2= 319, 324,
&end
#
# 68 GLY HN 68 GLY HA+ 2.8 (# 366:20 Unique)
&rst
ixpk= 366, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1038,1039,
&end
#
# 68 GLY HN 68 GLY HA- 2.8 (# 367:20 Unique)
&rst
ixpk= 367, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1038,1039,
&end
#
# 92 GLY HA- 91 TYR HD 5.5 (# 368:20 Single)
&rst
ixpk= 368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1390,1391,
igr2=1375,1384,
&end
#
# 0 AMB 20-2:369 0 AMB 20-1:369 3.5 (# 369:20 Double)
&rst
ixpk= 369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1388,1395,
igr2=1390,1391,1390,1391,
&end
#
# 0 AMB 20-2:370 92 GLY HA- 3.5 (# 370:20 Single)
&rst
ixpk= 370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1388,1395,
igr2=1390,1391,
&end
#
# 125 TYR HN 124 GLY HA- 2.8 (# 371:20 Unique)
&rst
ixpk= 371, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1879,1880,
&end
#
# 124 GLY HN 124 GLY HA+ 3.5 (# 372:20 Unique)
&rst
ixpk= 372, nxpk= 20, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1879,1880,
&end
#
# 125 TYR HN 124 GLY HA+ 3.5 (# 373:20 Unique)
&rst
ixpk= 373, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1879,1880,
&end
#
# 124 GLY HA+ 125 TYR HD 5.5 (# 374:20 Double)
&rst
ixpk= 374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1879,1880,
igr2=1892,1901,
&end
#
# 124 GLY HN 124 GLY HA- 3.5 (# 375:20 Unique)
&rst
ixpk= 375, nxpk= 20, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1879,1880,
&end
#
# 124 GLY HA- 125 TYR HD 5.5 (# 376:20 Single)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1879,1880,
igr2=1892,1901,
&end
#
# 35 ALA HN 34 GLY HA+ 4.5 (# 377:20 Unique)
&rst
ixpk= 377, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 513, 514,
&end
#
# 35 ALA HN 34 GLY HA- 4.5 (# 378:20 Unique)
&rst
ixpk= 378, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 513, 514,
&end
#
# 77 GLY HN 76 GLY HA- 3.5 (# 379:20 Unique)
&rst
ixpk= 379, nxpk= 20, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1131,1132,
&end
#
# 24 LEU HN 24 LEU HB+ 4.5 (# 380:20 Unique)
&rst
ixpk= 380, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 350, 351,
&end
#
# 24 LEU HA 24 LEU HB- 5.5 (# 381:20 Unique)
&rst
ixpk= 381, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 350, 351,
&end
#
# 100 ALA MB 76 GLY HA+ 5.5 (# 382:20 Unique)
&rst
ixpk= 382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1500,1501,1502,
igr2=1131,1132,
&end
#
# 0 AMB 20-2:384 76 GLY HA- 3.5 (# 384:20 Single)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,
igr2=1131,1132,
&end
#
# 0 AMB 20-2:386 0 AMB 20-1:386 2.8 (# 386:20 Double)
&rst
ixpk= 386, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
igr2= 350, 351, 350, 351,
&end
#
# 24 LEU HN 24 LEU HB- 5.5 (# 387:20 Unique)
&rst
ixpk= 387, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:388 0 AMB 20-1:388 3.5 (# 388:20 Double)
&rst
ixpk= 388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,
igr2=1131,1132,1131,1132,
&end
#
# 76 GLY HN 76 GLY HA- 7.0 (# 390:20 Unique)
&rst
ixpk= 390, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1131,1132,
&end
#
# 23 VAL HA 76 GLY HA- 3.5 (# 391:20 Unique)
&rst
ixpk= 391, nxpk= 20, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1131,1132,
&end
#
# 79 ILE QD1 22 TYR HB+ 5.5 (# 392:20 Unique)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1180,1181,1182,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:393 22 TYR HB- 5.5 (# 393:20 Single)
&rst
ixpk= 393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 691,1536,
igr2= 313, 314,
&end
#
# 24 LEU HA 24 LEU HB+ 5.5 (# 394:20 Unique)
&rst
ixpk= 394, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:396 0 AMB 20-1:396 5.5 (# 396:20 Double)
&rst
ixpk= 396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 196, 197, 198, 650, 651, 652, 654, 655, 656,
igr2= 313, 314, 313, 314,
&end
#
# 22 TYR HA 22 TYR HB+ 4.5 (# 397:20 Unique)
&rst
ixpk= 397, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 313, 314,
&end
#
# 22 TYR HA 22 TYR HB- 4.5 (# 398:20 Unique)
&rst
ixpk= 398, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 313, 314,
&end
#
# 79 ILE QD1 22 TYR HB- 4.5 (# 400:20 Unique)
&rst
ixpk= 400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1180,1181,1182,
igr2= 313, 314,
&end
#
# 98 GLY HN 98 GLY HA+ 3.5 (# 401:20 Unique)
&rst
ixpk= 401, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1477,1478,
&end
#
# 98 GLY HN 98 GLY HA- 3.5 (# 402:20 Unique)
&rst
ixpk= 402, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1477,1478,
&end
#
# 99 PRO HD- 98 GLY HA+ 3.5 (# 403:20 Unique)
&rst
ixpk= 403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1483,1484,
igr2=1477,1478,
&end
#
# 99 PRO HD+ 98 GLY HA+ 3.5 (# 404:20 Unique)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1483,1484,
igr2=1477,1478,
&end
#
# 70 ASP HA 70 ASP HB+ 3.5 (# 405:20 Unique)
&rst
ixpk= 405, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1058,1059,
&end
#
# 70 ASP HN 70 ASP HB+ 3.5 (# 406:20 Unique)
&rst
ixpk= 406, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1058,1059,
&end
#
# 71 CYS HN 70 ASP HB+ 3.5 (# 407:20 Unique)
&rst
ixpk= 407, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1058,1059,
&end
#
# 70 ASP HN 70 ASP HB- 3.5 (# 408:20 Unique)
&rst
ixpk= 408, nxpk= 20, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1058,1059,
&end
#
# 70 ASP HA 70 ASP HB- 3.5 (# 409:20 Unique)
&rst
ixpk= 409, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1058,1059,
&end
#
# 69 CYS HA 70 ASP HB- 4.5 (# 410:20 Unique)
&rst
ixpk= 410, nxpk= 20, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1058,1059,
&end
#
# 78 ARG HG- 78 ARG HD- 5.5 (# 411:20 Unique)
&rst
ixpk= 411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1150,1151,
igr2=1153,1154,
&end
#
# 78 ARG HB- 78 ARG HD- 5.5 (# 412:20 Unique)
&rst
ixpk= 412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1147,1148,
igr2=1153,1154,
&end
#
# 0 AMB 20-2:414 0 AMB 20-1:414 3.5 (# 414:20 Double)
&rst
ixpk= 414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1150,1151, 297, 298,
igr2=1153,1154,1153,1154,
&end
#
# 78 ARG HG- 78 ARG HD+ 4.5 (# 415:20 Unique)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1150,1151,
igr2=1153,1154,
&end
#
# 19 VAL MGX 78 ARG HD+ 3.5 (# 416:20 Unique)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 257, 258, 259, 261, 262, 263,
igr2=1153,1154,
&end
#
# 78 ARG HA 78 ARG HD- 5.5 (# 417:20 Unique)
&rst
ixpk= 417, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1153,1154,
&end
#
# 19 VAL MGX 78 ARG HD- 3.5 (# 418:20 Unique)
&rst
ixpk= 418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 257, 258, 259, 261, 262, 263,
igr2=1153,1154,
&end
#
# 0 AMB 20-2:419 78 ARG HD- 4.5 (# 419:20 Single)
&rst
ixpk= 419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1150,1151, 297, 298,
igr2=1153,1154,
&end
#
# 0 AMB 20-2:421 0 AMB 20-1:421 4.5 (# 421:20 Double)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1122,1475,
igr2=1124,1125,1124,1125,
&end
#
# 0 AMB 20-2:422 75 GLY HA- 4.5 (# 422:20 Single)
&rst
ixpk= 422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1122,1475,
igr2=1124,1125,
&end
#
# 76 GLY HN 75 GLY HA+ 4.5 (# 426:20 Unique)
&rst
ixpk= 426, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1124,1125,
&end
#
# 0 AMB 20-2:427 0 AMB 20-1:427 4.5 (# 427:20 Double)
&rst
ixpk= 427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
igr2=1124,1125,1124,1125,
&end
#
# 100 ALA HA 75 GLY HA- 4.5 (# 428:20 Unique)
&rst
ixpk= 428, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1124,1125,
&end
#
# 76 GLY HN 75 GLY HA- 3.5 (# 429:20 Unique)
&rst
ixpk= 429, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1124,1125,
&end
#
# 26 ARG HG+ 26 ARG HD+ 3.5 (# 430:20 Unique)
&rst
ixpk= 430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 391, 392,
igr2= 394, 395,
&end
#
# 26 ARG HG- 26 ARG HD- 5.5 (# 431:20 Unique)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 391, 392,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:433 25 ILE HB 2.8 (# 433:20 Single)
&rst
ixpk= 433, nxpk= 20, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420,
&end
#
# 0 AMB 20-2:434 75 GLY HA- 4.5 (# 434:20 Single)
&rst
ixpk= 434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
igr2=1124,1125,
&end
#
# 43 ILE QD1 25 ILE HB 4.5 (# 435:20 Unique)
&rst
ixpk= 435, nxpk= 20, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 638, 639, 640,
&end
#
# 12 VAL MGY 108 LYS HE+ 5.5 (# 439:20 Unique)
&rst
ixpk= 439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 168, 169, 170, 172, 173, 174,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:440 0 AMB 20-1:440 2.8 (# 440:20 Double)
&rst
ixpk= 440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 297, 298,1692,1693,
igr2= 300, 301,1695,1696,
&end
#
# 0 AMB 20-2:441 0 AMB 20-1:441 3.5 (# 441:20 Double)
&rst
ixpk= 441, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 297, 298,1692,1693,
igr2= 300, 301,1695,1696,
&end
#
# 112 LYS HG+ 112 LYS HE+ 2.8 (# 442:20 Unique)
&rst
ixpk= 442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1689,1690,
igr2=1695,1696,
&end
#
# 104 ILE QG2 108 LYS HE- 3.5 (# 443:20 Unique)
&rst
ixpk= 443, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1556,1557,1558,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:444 0 AMB 20-1:444 3.5 (# 444:20 Double)
&rst
ixpk= 444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1616,1617, 297, 298,1692,1693,
igr2=1622,1623, 300, 301,1695,1696,
&end
#
# 124 GLY HN 123 ASP HB+ 3.5 (# 445:20 Unique)
&rst
ixpk= 445, nxpk= 20, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1869,1870,
&end
#
# 110 LYS HG+ 110 LYS HE+ 3.5 (# 446:20 Unique)
&rst
ixpk= 446, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1657,1658,
igr2=1663,1664,
&end
#
# 118 VAL HB 110 LYS HE+ 4.5 (# 447:20 Unique)
&rst
ixpk= 447, nxpk= 20, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1663,1664,
&end
#
# 0 AMB 20-2:448 0 AMB 20-1:448 2.8 (# 448:20 Double)
&rst
ixpk= 448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1657,1658,1660,1661,
igr2=1663,1664,1663,1664,
&end
#
# 0 AMB 20-2:449 110 LYS HE- 3.5 (# 449:20 Single)
&rst
ixpk= 449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1654,1655,1660,1661,
igr2=1663,1664,
&end
#
# 0 AMB 20-2:450 110 LYS HE- 3.5 (# 450:20 Single)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1657,1658,1660,1661,
igr2=1663,1664,
&end
#
# 110 LYS HG+ 110 LYS HE- 3.5 (# 451:20 Unique)
&rst
ixpk= 451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1657,1658,
igr2=1663,1664,
&end
#
# 0 AMB 20-2:452 0 AMB 20-1:452 3.5 (# 452:20 Double)
&rst
ixpk= 452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 614, 615,1613,
igr2=1622,1623,1622,1623,
&end
#
# 108 LYS HD+ 108 LYS HE+ 3.5 (# 453:20 Unique)
&rst
ixpk= 453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1619,1620,
igr2=1622,1623,
&end
#
# 104 ILE QG2 108 LYS HE+ 3.5 (# 454:20 Unique)
&rst
ixpk= 454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1556,1557,1558,
igr2=1622,1623,
&end
#
# 42 GLU HN 108 LYS HE+ 5.5 (# 455:20 Unique)
&rst
ixpk= 455, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1622,1623,
&end
#
# 0 AMB 20-2:456 0 AMB 20-1:456 4.5 (# 456:20 Double)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 614, 615, 166,1613,
igr2=1622,1623,1695,1696,
&end
#
# 0 AMB 20-2:457 0 AMB 20-1:457 3.5 (# 457:20 Double)
&rst
ixpk= 457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 631, 632, 633, 123, 124, 125,
igr2= 601, 602, 601, 602,
&end
#
# 123 ASP HN 123 ASP HB+ 3.5 (# 458:20 Unique)
&rst
ixpk= 458, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1869,1870,
&end
#
# 123 ASP HA 123 ASP HB+ 2.8 (# 459:20 Unique)
&rst
ixpk= 459, nxpk= 20, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1869,1870,
&end
#
# 121 ALA MB 123 ASP HB+ 3.5 (# 460:20 Unique)
&rst
ixpk= 460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1845,1846,1847,
igr2=1869,1870,
&end
#
# 41 LYS HD- 41 LYS HE- 4.5 (# 461:20 Unique)
&rst
ixpk= 461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 598, 599,
igr2= 601, 602,
&end
#
# 41 LYS HE- 9 ILE HB 5.5 (# 462:20 Single)
&rst
ixpk= 462, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 601, 602,
&end
#
# 0 AMB 20-2:463 41 LYS HE- 3.5 (# 463:20 Single)
&rst
ixpk= 463, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 595, 596, 414, 415, 416, 418, 419, 420,
igr2= 601, 602,
&end
#
# 110 LYS HB- 110 LYS HE+ 5.5 (# 464:20 Unique)
&rst
ixpk= 464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1654,1655,
igr2=1663,1664,
&end
#
# 66 LYS HE+ 63 ASP HA 4.5 (# 465:20 Unique)
&rst
ixpk= 465, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1010,1011,
&end
#
# 66 LYS HB+ 66 LYS HE+ 3.5 (# 466:20 Unique)
&rst
ixpk= 466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1001,1002,
igr2=1010,1011,
&end
#
# 0 AMB 20-2:467 0 AMB 20-1:467 2.8 (# 467:20 Double)
&rst
ixpk= 467, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1007,1008,1004,1005,
igr2=1010,1011,1010,1011,
&end
#
# 87 LYS HB+ 87 LYS HE+ 4.5 (# 468:20 Unique)
&rst
ixpk= 468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1297,1298,
igr2=1306,1307,
&end
#
# 87 LYS HG+ 87 LYS HE+ 3.5 (# 469:20 Unique)
&rst
ixpk= 469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1300,1301,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:470 0 AMB 20-1:470 2.8 (# 470:20 Double)
&rst
ixpk= 470, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1619,1620, 905, 906, 905, 906,1614,1616,1617,1692,
1693,
igr2=1622,1623, 908, 909, 908, 909,1695,1696,
&end
#
# 59 LYS HG+ 59 LYS HE+ 2.8 (# 471:20 Unique)
&rst
ixpk= 471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 902, 903,
igr2= 908, 909,
&end
#
# 41 LYS HE+ 9 ILE HB 3.5 (# 472:20 Double)
&rst
ixpk= 472, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 601, 602,
&end
#
# 41 LYS HG+ 41 LYS HE+ 5.5 (# 473:20 Unique)
&rst
ixpk= 473, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 595, 596,
igr2= 601, 602,
&end
#
# 13 ASP HN 13 ASP HB3 5.5 (# 474:20 Unique)
&rst
ixpk= 474, nxpk= 20, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HG+ 41 LYS HE- 5.5 (# 475:20 Unique)
&rst
ixpk= 475, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 595, 596,
igr2= 601, 602,
&end
#
# 41 LYS HD+ 41 LYS HE- 4.5 (# 476:20 Unique)
&rst
ixpk= 476, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 598, 599,
igr2= 601, 602,
&end
#
# 0 AMB 20-2:477 41 LYS HE- 3.5 (# 477:20 Single)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 631, 632, 633, 123, 124, 125,
igr2= 601, 602,
&end
#
# 66 LYS HN 66 LYS HE+ 5.5 (# 478:20 Unique)
&rst
ixpk= 478, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1010,1011,
&end
#
# 117 GLU HG+ 87 LYS HE+ 5.5 (# 479:20 Unique)
&rst
ixpk= 479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1779,1780,
igr2=1306,1307,
&end
#
# 117 GLU HB+ 87 LYS HE+ 7.0 (# 480:20 Unique)
&rst
ixpk= 480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1776,1777,
igr2=1306,1307,
&end
#
# 0 AMB 20-2:481 0 AMB 20-1:481 2.8 (# 481:20 Double)
&rst
ixpk= 481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1303,1304,1303,1304,
igr2=1306,1307,1306,1307,
&end
#
# 87 LYS HG- 87 LYS HE+ 2.8 (# 482:20 Unique)
&rst
ixpk= 482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1300,1301,
igr2=1306,1307,
&end
#
# 49 TRP HZ2 59 LYS HE+ 5.5 (# 483:20 Unique)
&rst
ixpk= 483, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 908, 909,
&end
#
# 0 AMB 20-2:484 13 ASP HB2 5.5 (# 484:20 Single)
&rst
ixpk= 484, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 162, 190,
&end
#
# 0 AMB 20-2:485 0 AMB 20-1:485 4.5 (# 485:20 Double)
&rst
ixpk= 485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 895, 749,
igr2= 908, 909, 908, 909,
&end
#
# 13 ASP HA 13 ASP HB2 3.5 (# 486:20 Unique)
&rst
ixpk= 486, nxpk= 20, iat= 180, 182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:488 0 AMB 20-1:488 3.5 (# 488:20 Double)
&rst
ixpk= 488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 98, 117,
igr2= 102, 103, 102, 103,
&end
#
# 8 LEU MDX 8 LEU HB+ 2.8 (# 489:20 Unique)
&rst
ixpk= 489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 102, 103,
&end
#
# 8 LEU HA 8 LEU HB+ 3.5 (# 490:20 Unique)
&rst
ixpk= 490, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 102, 103,
&end
#
# 8 LEU HB+ 8 LEU MDY 3.5 (# 491:20 Unique)
&rst
ixpk= 491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 102, 103,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:492 8 LEU HB- 3.5 (# 492:20 Single)
&rst
ixpk= 492, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 98, 117,
igr2= 102, 103,
&end
#
# 8 LEU HA 8 LEU HB- 3.5 (# 493:20 Unique)
&rst
ixpk= 493, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 102, 103,
&end
#
# 8 LEU MDX 8 LEU HB- 3.5 (# 494:20 Unique)
&rst
ixpk= 494, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 102, 103,
&end
#
# 49 TRP HZ3 55 ASP HB2 4.5 (# 495:20 Unique)
&rst
ixpk= 495, nxpk= 20, iat= 751, 835, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 ALA HA 55 ASP HB2 5.5 (# 496:20 Unique)
&rst
ixpk= 496, nxpk= 20, iat= 760, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ALA MB 55 ASP HB2 3.5 (# 497:20 Unique)
&rst
ixpk= 497, nxpk= 20, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 762, 763, 764,
&end
#
# 55 ASP HA 55 ASP HB3 3.5 (# 498:20 Unique)
&rst
ixpk= 498, nxpk= 20, iat= 833, 836, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ILE HN 55 ASP HB2 5.5 (# 499:20 Unique)
&rst
ixpk= 499, nxpk= 20, iat= 843, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ASP HA 55 ASP HB2 3.5 (# 500:20 Unique)
&rst
ixpk= 500, nxpk= 20, iat= 833, 835, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ILE HN 55 ASP HB3 7.0 (# 501:20 Unique)
&rst
ixpk= 501, nxpk= 20, iat= 843, 836, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 50 ALA HA 55 ASP HB3 5.5 (# 502:20 Unique)
&rst
ixpk= 502, nxpk= 20, iat= 760, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ASP HN 55 ASP HB3 4.5 (# 503:20 Unique)
&rst
ixpk= 503, nxpk= 20, iat= 831, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 TRP HZ3 55 ASP HB3 4.5 (# 504:20 Unique)
&rst
ixpk= 504, nxpk= 20, iat= 751, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 ALA MB 55 ASP HB3 4.5 (# 505:20 Unique)
&rst
ixpk= 505, nxpk= 20, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 762, 763, 764,
&end
#
# 6 LEU HN 6 LEU HB2 4.5 (# 506:20 Unique)
&rst
ixpk= 506, nxpk= 20, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU HB3 6 LEU HA 3.5 (# 507:20 Unique)
&rst
ixpk= 507, nxpk= 20, iat= 74, 71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LEU HB3 6 LEU HN 5.5 (# 508:20 Unique)
&rst
ixpk= 508, nxpk= 20, iat= 74, 69, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL HN 11 ASP HB+ 3.5 (# 509:20 Unique)
&rst
ixpk= 509, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 154, 155,
&end
#
# 11 ASP HB+ 12 VAL MGX 3.5 (# 510:20 Double)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 154, 155,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 5 ASP HN 5 ASP HB+ 3.5 (# 511:20 Unique)
&rst
ixpk= 511, nxpk= 20, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 61, 62,
&end
#
# 5 ASP HA 5 ASP HB+ 3.5 (# 512:20 Unique)
&rst
ixpk= 512, nxpk= 20, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 61, 62,
&end
#
# 0 AMB 20-2:513 0 AMB 20-1:513 3.5 (# 513:20 Double)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 107, 108, 109, 111, 112, 113, 37, 38, 39, 41,
42, 43, 37, 38, 39, 41, 42, 43,
igr2= 61, 62, 61, 62, 61, 62,
&end
#
# 5 ASP HN 5 ASP HB- 3.5 (# 514:20 Unique)
&rst
ixpk= 514, nxpk= 20, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 61, 62,
&end
#
# 12 VAL HN 11 ASP HB- 5.5 (# 515:20 Unique)
&rst
ixpk= 515, nxpk= 20, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 154, 155,
&end
#
# 5 ASP HA 5 ASP HB- 2.8 (# 516:20 Unique)
&rst
ixpk= 516, nxpk= 20, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 61, 62,
&end
#
# 11 ASP HA 11 ASP HB- 3.5 (# 517:20 Unique)
&rst
ixpk= 517, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 154, 155,
&end
#
# 6 LEU HN 5 ASP HB- 5.5 (# 518:20 Unique)
&rst
ixpk= 518, nxpk= 20, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 61, 62,
&end
#
# 43 ILE QG2 11 ASP HB- 5.5 (# 519:20 Unique)
&rst
ixpk= 519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 631, 632, 633,
igr2= 154, 155,
&end
#
# 6 LEU HB2 6 LEU HA 4.5 (# 520:20 Unique)
&rst
ixpk= 520, nxpk= 20, iat= 73, 71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU MDX 6 LEU HB2 2.8 (# 521:20 Unique)
&rst
ixpk= 521, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HB2 7 ALA HN 5.5 (# 522:20 Unique)
&rst
ixpk= 522, nxpk= 20, iat= 73, 88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 ASP HA 11 ASP HB+ 3.5 (# 523:20 Unique)
&rst
ixpk= 523, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 154, 155,
&end
#
# 8 LEU HG 5 ASP HB+ 4.5 (# 524:20 Unique)
&rst
ixpk= 524, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 61, 62,
&end
#
# 5 ASP HB- 8 LEU HG 3.5 (# 525:20 Double)
&rst
ixpk= 525, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 61, 62,
&end
#
# 5 ASP HB- 8 LEU MDX 4.5 (# 526:20 Single)
&rst
ixpk= 526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 61, 62,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 11 ASP HB- 12 VAL MGX 4.5 (# 527:20 Single)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 154, 155,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 74 LEU HA 74 LEU HB3 3.5 (# 528:20 Unique)
&rst
ixpk= 528, nxpk= 20, iat=1105,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 LEU HA 74 LEU HB2 4.5 (# 529:20 Unique)
&rst
ixpk= 529, nxpk= 20, iat=1105,1107, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ASP HA 43 ILE HB 5.5 (# 530:20 Unique)
&rst
ixpk= 530, nxpk= 20, iat= 152, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ARG HE 43 ILE HB 5.5 (# 531:20 Unique)
&rst
ixpk= 531, nxpk= 20, iat= 673, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 43 ILE HB 3.5 (# 532:20 Unique)
&rst
ixpk= 532, nxpk= 20, iat= 644, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ILE HA 43 ILE HB 3.5 (# 533:20 Unique)
&rst
ixpk= 533, nxpk= 20, iat= 627, 629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 ILE QG2 43 ILE HB 2.8 (# 534:20 Unique)
&rst
ixpk= 534, nxpk= 20, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 631, 632, 633,
&end
#
# 43 ILE QD1 43 ILE HB 3.5 (# 535:20 Unique)
&rst
ixpk= 535, nxpk= 20, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 638, 639, 640,
&end
#
# 43 ILE HG1- 43 ILE HB 5.5 (# 536:20 Unique)
&rst
ixpk= 536, nxpk= 20, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 635, 636,
&end
#
# 93 TYR HD 93 TYR HB+ 3.5 (# 538:20 Unique)
&rst
ixpk= 538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1403,1412,
igr2=1399,1400,
&end
#
# 93 TYR HD 93 TYR HB- 4.5 (# 539:20 Unique)
&rst
ixpk= 539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1403,1412,
igr2=1399,1400,
&end
#
# 93 TYR HA 93 TYR HB- 4.5 (# 540:20 Unique)
&rst
ixpk= 540, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1399,1400,
&end
#
# 97 TYR HD 97 TYR HB- 4.5 (# 542:20 Unique)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1462,1471,
igr2=1458,1459,
&end
#
# 97 TYR HA 97 TYR HB+ 3.5 (# 544:20 Unique)
&rst
ixpk= 544, nxpk= 20, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1458,1459,
&end
#
# 97 TYR HD 97 TYR HB+ 3.5 (# 545:20 Unique)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1462,1471,
igr2=1458,1459,
&end
#
# 0 AMB 20-2:546 52 TYR HB- 2.8 (# 546:20 Single)
&rst
ixpk= 546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 791, 800, 831,
igr2= 787, 788,
&end
#
# 58 ASP HN 58 ASP HB+ 2.8 (# 549:20 Unique)
&rst
ixpk= 549, nxpk= 20, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 887, 888,
&end
#
# 20 PHE HA 20 PHE HB- 4.5 (# 550:20 Unique)
&rst
ixpk= 550, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 271, 272,
&end
#
# 58 ASP HN 58 ASP HB- 3.5 (# 551:20 Unique)
&rst
ixpk= 551, nxpk= 20, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 887, 888,
&end
#
# 0 AMB 20-2:552 0 AMB 20-1:552 4.5 (# 552:20 Double)
&rst
ixpk= 552, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 919, 946, 947, 845,
igr2= 955, 887, 888,
&end
#
# 63 ASP HA 63 ASP HB3 3.5 (# 553:20 Unique)
&rst
ixpk= 553, nxpk= 20, iat= 953, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 MET HN 63 ASP HB3 4.5 (# 554:20 Unique)
&rst
ixpk= 554, nxpk= 20, iat= 963, 956, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 LYS HN 58 ASP HB+ 3.5 (# 555:20 Unique)
&rst
ixpk= 555, nxpk= 20, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 887, 888,
&end
#
# 58 ASP HA 58 ASP HB+ 3.5 (# 556:20 Unique)
&rst
ixpk= 556, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 887, 888,
&end
#
# 59 LYS HN 58 ASP HB- 3.5 (# 557:20 Unique)
&rst
ixpk= 557, nxpk= 20, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 887, 888,
&end
#
# 58 ASP HA 58 ASP HB- 3.5 (# 558:20 Unique)
&rst
ixpk= 558, nxpk= 20, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 887, 888,
&end
#
# 63 ASP HA 63 ASP HB2 2.8 (# 559:20 Unique)
&rst
ixpk= 559, nxpk= 20, iat= 953, 955, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 MET HN 63 ASP HB2 4.5 (# 560:20 Unique)
&rst
ixpk= 560, nxpk= 20, iat= 963, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 ASP HN 63 ASP HB2 3.5 (# 561:20 Unique)
&rst
ixpk= 561, nxpk= 20, iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 ASP HN 63 ASP HB3 2.8 (# 562:20 Unique)
&rst
ixpk= 562, nxpk= 20, iat= 951, 956, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 VAL HA 63 ASP HB3 3.5 (# 563:20 Unique)
&rst
ixpk= 563, nxpk= 20, iat= 919, 956, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ASP HA 58 ASP HB+ 4.5 (# 564:20 Unique)
&rst
ixpk= 564, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 887, 888,
&end
#
# 125 TYR HA 125 TYR HB+ 3.5 (# 565:20 Unique)
&rst
ixpk= 565, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1888,1889,
&end
#
# 125 TYR HN 125 TYR HB+ 4.5 (# 566:20 Unique)
&rst
ixpk= 566, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1888,1889,
&end
#
# 125 TYR HD 125 TYR HB+ 2.8 (# 567:20 Unique)
&rst
ixpk= 567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1892,1901,
igr2=1888,1889,
&end
#
# 125 TYR HN 125 TYR HB- 4.5 (# 568:20 Unique)
&rst
ixpk= 568, nxpk= 20, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1888,1889,
&end
#
# 125 TYR HD 125 TYR HB- 2.8 (# 569:20 Unique)
&rst
ixpk= 569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1892,1901,
igr2=1888,1889,
&end
#
# 125 TYR HA 125 TYR HB- 3.5 (# 570:20 Unique)
&rst
ixpk= 570, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1888,1889,
&end
#
# 9 ILE HA 9 ILE HB 4.5 (# 571:20 Unique)
&rst
ixpk= 571, nxpk= 20, iat= 119, 121, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:574 9 ILE HB 2.8 (# 574:20 Single)
&rst
ixpk= 574, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 123, 124, 125, 130, 131, 132,
&end
#
# 9 ILE HN 9 ILE HB 2.8 (# 575:20 Unique)
&rst
ixpk= 575, nxpk= 20, iat= 117, 121, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 LYS HE+ 9 ILE HB 5.5 (# 576:20 Unique)
&rst
ixpk= 576, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 601, 602,
&end
#
# 9 ILE HG1+ 9 ILE HB 4.5 (# 577:20 Unique)
&rst
ixpk= 577, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 127, 128,
&end
#
# 122 ASN HD2- 122 ASN HB- 5.5 (# 578:20 Unique)
&rst
ixpk= 578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1860,1861,
igr2=1855,1856,
&end
#
# 57 TYR HN 56 ILE HB 4.5 (# 579:20 Unique)
&rst
ixpk= 579, nxpk= 20, iat= 862, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:580 56 ILE HB 2.8 (# 580:20 Single)
&rst
ixpk= 580, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 856, 857, 858,
&end
#
# 56 ILE HN 56 ILE HB 3.5 (# 581:20 Unique)
&rst
ixpk= 581, nxpk= 20, iat= 843, 847, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ILE HA 56 ILE HB 4.5 (# 582:20 Unique)
&rst
ixpk= 582, nxpk= 20, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ASN HA 122 ASN HB+ 3.5 (# 583:20 Unique)
&rst
ixpk= 583, nxpk= 20, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1855,1856,
&end
#
# 122 ASN HA 122 ASN HB- 3.5 (# 584:20 Unique)
&rst
ixpk= 584, nxpk= 20, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1855,1856,
&end
#
# 122 ASN HN 122 ASN HB- 4.5 (# 585:20 Unique)
&rst
ixpk= 585, nxpk= 20, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1855,1856,
&end
#
# 122 ASN HD2+ 122 ASN HB- 5.5 (# 586:20 Unique)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1860,1861,
igr2=1855,1856,
&end
#
# 56 ILE HG1+ 56 ILE HB 5.5 (# 587:20 Unique)
&rst
ixpk= 587, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 853, 854,
&end
#
# 122 ASN HD2+ 122 ASN HB+ 5.5 (# 588:20 Unique)
&rst
ixpk= 588, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1860,1861,
igr2=1855,1856,
&end
#
# 57 TYR HN 57 TYR HB3 4.5 (# 589:20 Unique)
&rst
ixpk= 589, nxpk= 20, iat= 862, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 ILE HN 109 ILE HB 4.5 (# 590:20 Unique)
&rst
ixpk= 590, nxpk= 20, iat=1631,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 VAL MGY 109 ILE HB 3.5 (# 591:20 Unique)
&rst
ixpk= 591, nxpk= 20, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1793,1794,1795,1797,1798,1799,
&end
#
# 109 ILE QD1 109 ILE HB 4.5 (# 592:20 Unique)
&rst
ixpk= 592, nxpk= 20, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1644,1645,1646,
&end
#
# 0 AMB 20-2:593 109 ILE HB 3.5 (# 593:20 Single)
&rst
ixpk= 593, nxpk= 20, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1582,1633,
&end
#
# 57 TYR HD 57 TYR HB3 3.5 (# 594:20 Unique)
&rst
ixpk= 594, nxpk= 20, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 870, 879,
&end
#
# 0 AMB 20-2:595 57 TYR HB3 3.5 (# 595:20 Single)
&rst
ixpk= 595, nxpk= 20, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 378, 379, 380,
&end
#
# 91 TYR HA 91 TYR HB+ 5.5 (# 596:20 Unique)
&rst
ixpk= 596, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1371,1372,
&end
#
# 92 GLY HN 91 TYR HB+ 4.5 (# 597:20 Unique)
&rst
ixpk= 597, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1371,1372,
&end
#
# 91 TYR HB+ 91 TYR HD 4.5 (# 598:20 Unique)
&rst
ixpk= 598, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1371,1372,
igr2=1375,1384,
&end
#
# 57 TYR HN 57 TYR HB2 3.5 (# 599:20 Unique)
&rst
ixpk= 599, nxpk= 20, iat= 862, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:600 57 TYR HB2 3.5 (# 600:20 Single)
&rst
ixpk= 600, nxpk= 20, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,
&end
#
# 57 TYR HD 57 TYR HB2 3.5 (# 601:20 Unique)
&rst
ixpk= 601, nxpk= 20, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 870, 879,
&end
#
# 54 ALA HA 57 TYR HB2 5.5 (# 602:20 Unique)
&rst
ixpk= 602, nxpk= 20, iat= 823, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR HA 57 TYR HB2 3.5 (# 603:20 Unique)
&rst
ixpk= 603, nxpk= 20, iat= 864, 866, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 TYR HA 91 TYR HB- 4.5 (# 604:20 Unique)
&rst
ixpk= 604, nxpk= 20, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1371,1372,
&end
#
# 121 ALA MB 91 TYR HB- 5.5 (# 605:20 Unique)
&rst
ixpk= 605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1845,1846,1847,
igr2=1371,1372,
&end
#
# 92 GLY HN 91 TYR HB- 5.5 (# 606:20 Unique)
&rst
ixpk= 606, nxpk= 20, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1371,1372,
&end
#
# 109 ILE QG2 109 ILE HB 3.5 (# 607:20 Unique)
&rst
ixpk= 607, nxpk= 20, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1637,1638,1639,
&end
#
# 58 ASP HN 57 TYR HB3 4.5 (# 608:20 Unique)
&rst
ixpk= 608, nxpk= 20, iat= 883, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ALA HA 57 TYR HB3 4.5 (# 609:20 Unique)
&rst
ixpk= 609, nxpk= 20, iat= 823, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 TYR HA 57 TYR HB3 4.5 (# 610:20 Unique)
&rst
ixpk= 610, nxpk= 20, iat= 864, 867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 TYR HB- 91 TYR HD 3.5 (# 611:20 Unique)
&rst
ixpk= 611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1371,1372,
igr2=1375,1384,
&end
#
# 0 AMB 20-2:612 0 AMB 20-1:612 5.5 (# 612:20 Double)
&rst
ixpk= 612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 391, 392, 353,
igr2= 617, 618, 617, 618,
&end
#
# 42 GLU HN 42 GLU HG+ 4.5 (# 614:20 Unique)
&rst
ixpk= 614, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 617, 618,
&end
#
# 42 GLU HA 42 GLU HG+ 3.5 (# 615:20 Unique)
&rst
ixpk= 615, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 617, 618,
&end
#
# 26 ARG HA 42 GLU HG+ 5.5 (# 616:20 Unique)
&rst
ixpk= 616, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:617 0 AMB 20-1:617 2.8 (# 617:20 Double)
&rst
ixpk= 617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,1556,1557,1558,
igr2= 617, 618, 617, 618, 617, 618,
&end
#
# 0 AMB 20-2:618 42 GLU HG- 4.5 (# 618:20 Single)
&rst
ixpk= 618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 391, 392, 353,
igr2= 617, 618,
&end
#
# 42 GLU HA 42 GLU HG- 3.5 (# 619:20 Unique)
&rst
ixpk= 619, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 617, 618,
&end
#
# 26 ARG HA 42 GLU HG- 4.5 (# 620:20 Unique)
&rst
ixpk= 620, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 617, 618,
&end
#
# 117 GLU HG+ 87 LYS HB- 4.5 (# 621:20 Unique)
&rst
ixpk= 621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1779,1780,
igr2=1297,1298,
&end
#
# 105 SER HN 104 ILE HB 3.5 (# 622:20 Unique)
&rst
ixpk= 622, nxpk= 20, iat=1569,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ILE HN 104 ILE HB 3.5 (# 623:20 Unique)
&rst
ixpk= 623, nxpk= 20, iat=1550,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ILE HA 104 ILE HB 3.5 (# 624:20 Unique)
&rst
ixpk= 624, nxpk= 20, iat=1552,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ILE HG1+ 104 ILE HB 3.5 (# 625:20 Unique)
&rst
ixpk= 625, nxpk= 20, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 0 AMB 20-2:626 104 ILE HB 2.8 (# 626:20 Single)
&rst
ixpk= 626, nxpk= 20, iat= -1,1554, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 355, 356, 357, 359, 360, 361,1556,1557,1558,1563,
1564,1565,
&end
#
# 87 LYS HA 87 LYS HB+ 3.5 (# 627:20 Unique)
&rst
ixpk= 627, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1297,1298,
&end
#
# 87 LYS HA 87 LYS HB- 4.5 (# 628:20 Unique)
&rst
ixpk= 628, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1297,1298,
&end
#
# 72 GLU HN 72 GLU HG+ 5.5 (# 629:20 Unique)
&rst
ixpk= 629, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 72 GLU HA 72 GLU HG+ 3.5 (# 630:20 Unique)
&rst
ixpk= 630, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1084,1085,
&end
#
# 74 LEU MDY 72 GLU HG- 5.5 (# 631:20 Unique)
&rst
ixpk= 631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1112,1113,1114,1116,1117,1118,
igr2=1084,1085,
&end
#
# 74 LEU MDY 72 GLU HG+ 4.5 (# 632:20 Unique)
&rst
ixpk= 632, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1112,1113,1114,1116,1117,1118,
igr2=1084,1085,
&end
#
# 72 GLU HN 72 GLU HG- 5.5 (# 633:20 Unique)
&rst
ixpk= 633, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 72 GLU HA 72 GLU HG- 3.5 (# 634:20 Unique)
&rst
ixpk= 634, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1084,1085,
&end
#
# 39 GLU HA 39 GLU HG- 3.5 (# 635:20 Unique)
&rst
ixpk= 635, nxpk= 20, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 569, 570,
&end
#
# 87 LYS HB- 117 GLU HG+ 5.5 (# 636:20 Unique)
&rst
ixpk= 636, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1297,1298,
igr2=1779,1780,
&end
#
# 118 VAL HN 117 GLU HG+ 4.5 (# 637:20 Unique)
&rst
ixpk= 637, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1779,1780,
&end
#
# 0 AMB 20-2:638 0 AMB 20-1:638 4.5 (# 638:20 Double)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 562, 552,
igr2= 569, 570, 569, 570,
&end
#
# 39 GLU HA 39 GLU HG+ 3.5 (# 639:20 Unique)
&rst
ixpk= 639, nxpk= 20, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 569, 570,
&end
#
# 0 AMB 20-2:640 39 GLU HG- 3.5 (# 640:20 Single)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 562, 552,
igr2= 569, 570,
&end
#
# 117 GLU HA 117 GLU HG+ 3.5 (# 641:20 Unique)
&rst
ixpk= 641, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1779,1780,
&end
#
# 117 GLU HG+ 119 THR MG2 3.5 (# 642:20 Unique)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1779,1780,
igr2=1809,1810,1811,
&end
#
# 6 LEU MDX 39 GLU HG+ 4.5 (# 643:20 Unique)
&rst
ixpk= 643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 569, 570,
&end
#
# 117 GLU HA 117 GLU HG- 3.5 (# 644:20 Unique)
&rst
ixpk= 644, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1779,1780,
&end
#
# 119 THR MG2 117 GLU HG- 3.5 (# 645:20 Unique)
&rst
ixpk= 645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1809,1810,1811,
igr2=1779,1780,
&end
#
# 118 VAL HN 117 GLU HG- 4.5 (# 646:20 Unique)
&rst
ixpk= 646, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1779,1780,
&end
#
# 39 GLU HG+ 38 ALA MB 5.5 (# 647:20 Unique)
&rst
ixpk= 647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 569, 570,
igr2= 556, 557, 558,
&end
#
# 51 GLU HA 51 GLU HG- 3.5 (# 648:20 Unique)
&rst
ixpk= 648, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 775, 776,
&end
#
# 51 GLU HN 51 GLU HG- 4.5 (# 649:20 Unique)
&rst
ixpk= 649, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 775, 776,
&end
#
# 51 GLU HN 51 GLU HG+ 4.5 (# 650:20 Unique)
&rst
ixpk= 650, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 775, 776,
&end
#
# 51 GLU HA 51 GLU HG+ 3.5 (# 651:20 Unique)
&rst
ixpk= 651, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 775, 776,
&end
#
# 107 GLU HN 107 GLU HG+ 3.5 (# 652:20 Unique)
&rst
ixpk= 652, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1601,1602,
&end
#
# 107 GLU HA 107 GLU HG+ 3.5 (# 653:20 Unique)
&rst
ixpk= 653, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1601,1602,
&end
#
# 107 GLU HA 107 GLU HG- 3.5 (# 654:20 Unique)
&rst
ixpk= 654, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1601,1602,
&end
#
# 107 GLU HN 107 GLU HG- 3.5 (# 655:20 Unique)
&rst
ixpk= 655, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1601,1602,
&end
#
# 12 VAL HA 12 VAL HB 4.5 (# 656:20 Unique)
&rst
ixpk= 656, nxpk= 20, iat= 164, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 TYR HD 51 GLU HG+ 5.5 (# 657:20 Unique)
&rst
ixpk= 657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 791, 800,
igr2= 775, 776,
&end
#
# 12 VAL HB 12 VAL HN 3.5 (# 658:20 Unique)
&rst
ixpk= 658, nxpk= 20, iat= 166, 162, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 VAL HB 12 VAL MGY 2.8 (# 659:20 Double)
&rst
ixpk= 659, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:660 0 AMB 20-1:660 2.8 (# 660:20 Double)
&rst
ixpk= 660, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1689,1690, 168, 169, 170, 172, 173, 174, 78, 79,
80, 82, 83, 84,
igr2= 166, 592, 593, 592, 593,
&end
#
# 23 VAL HA 23 VAL HB 3.5 (# 661:20 Unique)
&rst
ixpk= 661, nxpk= 20, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 LEU HN 23 VAL HB 4.5 (# 662:20 Unique)
&rst
ixpk= 662, nxpk= 20, iat= 346, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:663 23 VAL HB 2.8 (# 663:20 Single)
&rst
ixpk= 663, nxpk= 20, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 378, 379, 380, 336, 337, 338, 340, 341, 342, 336,
337, 338, 340, 341, 342,
&end
#
# 42 GLU HN 41 LYS HB+ 4.5 (# 664:20 Unique)
&rst
ixpk= 664, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 592, 593,
&end
#
# 41 LYS HA 41 LYS HB+ 3.5 (# 665:20 Unique)
&rst
ixpk= 665, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 592, 593,
&end
#
# 41 LYS HA 41 LYS HB- 3.5 (# 666:20 Unique)
&rst
ixpk= 666, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 592, 593,
&end
#
# 42 GLU HN 41 LYS HB- 4.5 (# 667:20 Unique)
&rst
ixpk= 667, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 592, 593,
&end
#
# 44 VAL MGY 44 VAL HB 2.8 (# 668:20 Unique)
&rst
ixpk= 668, nxpk= 20, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 44 VAL HN 44 VAL HB 3.5 (# 669:20 Unique)
&rst
ixpk= 669, nxpk= 20, iat= 644, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:670 44 VAL HB 2.8 (# 670:20 Single)
&rst
ixpk= 670, nxpk= 20, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
655, 656,
&end
#
# 12 VAL HA 44 VAL HB 3.5 (# 671:20 Unique)
&rst
ixpk= 671, nxpk= 20, iat= 164, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:672 45 ARG HB2 4.5 (# 672:20 Single)
&rst
ixpk= 672, nxpk= 20, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 336, 337, 338, 340, 341, 342, 849, 850, 851, 923,
924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:673 45 ARG HB3 4.5 (# 673:20 Single)
&rst
ixpk= 673, nxpk= 20, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 849, 850, 851, 923, 924, 925, 927, 928, 929,
&end
#
# 89 HIS HA 89 HIS HB+ 5.5 (# 674:20 Unique)
&rst
ixpk= 674, nxpk= 20, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1338,1339,
&end
#
# 65 GLN HN 65 GLN HG- 3.5 (# 676:20 Unique)
&rst
ixpk= 676, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 987, 988,
&end
#
# 65 GLN HN 65 GLN HG+ 3.5 (# 677:20 Unique)
&rst
ixpk= 677, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 987, 988,
&end
#
# 65 GLN HE2+ 65 GLN HG+ 4.5 (# 678:20 Unique)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 992, 993,
igr2= 987, 988,
&end
#
# 65 GLN HA 65 GLN HG+ 3.5 (# 679:20 Unique)
&rst
ixpk= 679, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 987, 988,
&end
#
# 65 GLN HE2- 65 GLN HG+ 5.5 (# 680:20 Unique)
&rst
ixpk= 680, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 992, 993,
igr2= 987, 988,
&end
#
# 65 GLN HA 65 GLN HG- 3.5 (# 681:20 Unique)
&rst
ixpk= 681, nxpk= 20, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 987, 988,
&end
#
# 65 GLN HE2+ 65 GLN HG- 4.5 (# 682:20 Unique)
&rst
ixpk= 682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 992, 993,
igr2= 987, 988,
&end
#
# 0 AMB 20-2:684 27 VAL HB 5.5 (# 684:20 Single)
&rst
ixpk= 684, nxpk= 20, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 426,
&end
#
# 6 LEU MDY 27 VAL HB 4.5 (# 685:20 Unique)
&rst
ixpk= 685, nxpk= 20, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 41 LYS HN 27 VAL HB 5.5 (# 686:20 Unique)
&rst
ixpk= 686, nxpk= 20, iat= 588, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 VAL HN 27 VAL HB 3.5 (# 687:20 Unique)
&rst
ixpk= 687, nxpk= 20, iat= 408, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 VAL HA 27 VAL HB 3.5 (# 688:20 Unique)
&rst
ixpk= 688, nxpk= 20, iat= 410, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:689 27 VAL HB 2.8 (# 689:20 Single)
&rst
ixpk= 689, nxpk= 20, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 414, 415, 416, 418, 419, 420, 595, 596,
&end
#
# 0 AMB 20-2:690 27 VAL HB 4.5 (# 690:20 Single)
&rst
ixpk= 690, nxpk= 20, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 424,1077,
&end
#
# 67 GLN HE2+ 67 GLN HG+ 3.5 (# 691:20 Unique)
&rst
ixpk= 691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1031,1032,
igr2=1026,1027,
&end
#
# 9 ILE QD1 67 GLN HG+ 5.5 (# 692:20 Unique)
&rst
ixpk= 692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 130, 131, 132,
igr2=1026,1027,
&end
#
# 67 GLN HN 67 GLN HG+ 2.8 (# 693:20 Unique)
&rst
ixpk= 693, nxpk= 20, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1026,1027,
&end
#
# 67 GLN HA 67 GLN HG+ 3.5 (# 694:20 Unique)
&rst
ixpk= 694, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1026,1027,
&end
#
# 64 MET HA 67 GLN HG+ 3.5 (# 695:20 Unique)
&rst
ixpk= 695, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1026,1027,
&end
#
# 9 ILE HB 67 GLN HG+ 5.5 (# 696:20 Unique)
&rst
ixpk= 696, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1026,1027,
&end
#
# 4 ALA MB 67 GLN HG+ 4.5 (# 697:20 Unique)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 51, 52, 53,
igr2=1026,1027,
&end
#
# 0 AMB 20-2:698 27 VAL HB 4.5 (# 698:20 Single)
&rst
ixpk= 698, nxpk= 20, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 631, 632, 633, 123, 124, 125,
&end
#
# 0 AMB 20-2:699 0 AMB 20-1:699 5.5 (# 699:20 Double)
&rst
ixpk= 699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 968,1004,1005,
igr2=1026,1027,1026,1027,
&end
#
# 82 GLN HN 82 GLN HG+ 4.5 (# 700:20 Unique)
&rst
ixpk= 700, nxpk= 20, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1221,1222,
&end
#
# 68 GLY HN 67 GLN HG+ 4.5 (# 701:20 Unique)
&rst
ixpk= 701, nxpk= 20, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1026,1027,
&end
#
# 66 LYS HN 67 GLN HG+ 5.5 (# 702:20 Unique)
&rst
ixpk= 702, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1026,1027,
&end
#
# 67 GLN HE2- 67 GLN HG+ 4.5 (# 703:20 Unique)
&rst
ixpk= 703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1031,1032,
igr2=1026,1027,
&end
#
# 82 GLN HA 82 GLN HG+ 3.5 (# 704:20 Unique)
&rst
ixpk= 704, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1221,1222,
&end
#
# 8 LEU HB- 67 GLN HG+ 5.5 (# 705:20 Unique)
&rst
ixpk= 705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 102, 103,
igr2=1026,1027,
&end
#
# 82 GLN HE2- 82 GLN HG+ 5.5 (# 706:20 Unique)
&rst
ixpk= 706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1226,1227,
igr2=1221,1222,
&end
#
# 101 GLN HE2+ 101 GLN HG+ 4.5 (# 707:20 Unique)
&rst
ixpk= 707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1518,1519,
igr2=1513,1514,
&end
#
# 101 GLN HN 101 GLN HG+ 3.5 (# 708:20 Unique)
&rst
ixpk= 708, nxpk= 20, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1513,1514,
&end
#
# 74 LEU MDY 72 GLU HB+ 4.5 (# 709:20 Unique)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1112,1113,1114,1116,1117,1118,
igr2=1081,1082,
&end
#
# 0 AMB 20-2:710 0 AMB 20-1:710 5.5 (# 710:20 Double)
&rst
ixpk= 710, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 384,1092,
igr2=1081,1082,1081,1082,
&end
#
# 72 GLU HN 72 GLU HB+ 5.5 (# 711:20 Unique)
&rst
ixpk= 711, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1081,1082,
&end
#
# 72 GLU HA 72 GLU HB+ 3.5 (# 712:20 Unique)
&rst
ixpk= 712, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1081,1082,
&end
#
# 72 GLU HN 72 GLU HB- 4.5 (# 713:20 Unique)
&rst
ixpk= 713, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1081,1082,
&end
#
# 26 ARG HN 72 GLU HB- 5.5 (# 714:20 Unique)
&rst
ixpk= 714, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1081,1082,
&end
#
# 72 GLU HA 72 GLU HB- 3.5 (# 715:20 Unique)
&rst
ixpk= 715, nxpk= 20, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1081,1082,
&end
#
# 74 LEU MDY 72 GLU HB- 4.5 (# 716:20 Unique)
&rst
ixpk= 716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1112,1113,1114,1116,1117,1118,
igr2=1081,1082,
&end
#
# 0 AMB 20-2:717 21 LYS HB2 5.5 (# 717:20 Single)
&rst
ixpk= 717, nxpk= 20, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 289, 686, 687,
&end
#
# 21 LYS HN 21 LYS HB2 5.5 (# 718:20 Unique)
&rst
ixpk= 718, nxpk= 20, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLN HE2+ 82 GLN HG+ 4.5 (# 719:20 Unique)
&rst
ixpk= 719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1226,1227,
igr2=1221,1222,
&end
#
# 101 GLN HA 101 GLN HG+ 3.5 (# 720:20 Unique)
&rst
ixpk= 720, nxpk= 20, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1513,1514,
&end
#
# 0 AMB 20-2:721 0 AMB 20-1:721 5.5 (# 721:20 Double)
&rst
ixpk= 721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
igr2=1513,1514,1513,1514,
&end
#
# 0 AMB 20-2:722 0 AMB 20-1:722 3.5 (# 722:20 Double)
&rst
ixpk= 722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1112,
1113,1114,1116,1117,1118,
igr2=1513,1514,1513,1514,1513,1514,
&end
#
# 104 ILE HG1- 101 GLN HG- 4.5 (# 723:20 Unique)
&rst
ixpk= 723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1560,1561,
igr2=1513,1514,
&end
#
# 101 GLN HN 101 GLN HG- 4.5 (# 724:20 Unique)
&rst
ixpk= 724, nxpk= 20, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1513,1514,
&end
#
# 101 GLN HE2+ 101 GLN HG- 4.5 (# 725:20 Unique)
&rst
ixpk= 725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1518,1519,
igr2=1513,1514,
&end
#
# 0 AMB 20-2:726 101 GLN HG- 3.5 (# 726:20 Single)
&rst
ixpk= 726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 355, 356, 357, 359, 360, 361,1563,1564,1565,1112,
1113,1114,1116,1117,1118,
igr2=1513,1514,
&end
#
# 101 GLN HA 101 GLN HG- 3.5 (# 727:20 Unique)
&rst
ixpk= 727, nxpk= 20, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1513,1514,
&end
#
# 0 AMB 20-2:728 101 GLN HG- 5.5 (# 728:20 Single)
&rst
ixpk= 728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 355, 356, 357, 359, 360, 361,1544,1545,1546,
igr2=1513,1514,
&end
#
# 19 VAL HN 19 VAL HB 2.8 (# 730:20 Unique)
&rst
ixpk= 730, nxpk= 20, iat= 251, 255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL HA 19 VAL HB 4.5 (# 731:20 Unique)
&rst
ixpk= 731, nxpk= 20, iat= 253, 255, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL MGY 19 VAL HB 2.8 (# 732:20 Unique)
&rst
ixpk= 732, nxpk= 20, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 19 VAL MGX 19 VAL HB 2.8 (# 733:20 Unique)
&rst
ixpk= 733, nxpk= 20, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 20 PHE HN 19 VAL HB 5.5 (# 735:20 Unique)
&rst
ixpk= 735, nxpk= 20, iat= 267, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET ME 64 MET HG+ 4.5 (# 736:20 Unique)
&rst
ixpk= 736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 974, 975, 976,
igr2= 970, 971,
&end
#
# 64 MET HA 64 MET HG+ 5.5 (# 737:20 Unique)
&rst
ixpk= 737, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 970, 971,
&end
#
# 64 MET HN 64 MET HG- 4.5 (# 738:20 Unique)
&rst
ixpk= 738, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 970, 971,
&end
#
# 64 MET HA 64 MET HG- 4.5 (# 739:20 Unique)
&rst
ixpk= 739, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 970, 971,
&end
#
# 28 HIS HN 28 HIS HB2 5.5 (# 741:20 Unique)
&rst
ixpk= 741, nxpk= 20, iat= 424, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 VAL MGX 64 MET HG+ 3.5 (# 742:20 Unique)
&rst
ixpk= 742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 970, 971,
&end
#
# 64 MET HN 64 MET HG+ 3.5 (# 743:20 Unique)
&rst
ixpk= 743, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 970, 971,
&end
#
# 64 MET HB3 64 MET HG+ 5.5 (# 744:20 Unique)
&rst
ixpk= 744, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 970, 971,
&end
#
# 64 MET HB3 64 MET HG- 4.5 (# 745:20 Unique)
&rst
ixpk= 745, nxpk= 20, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 970, 971,
&end
#
# 60 VAL MGX 64 MET HG- 3.5 (# 746:20 Unique)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 970, 971,
&end
#
# 60 VAL HN 0 AMB 20-1:747 3.5 (# 747:20 Single)
&rst
ixpk= 747, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 899, 900, 899, 900,
&end
#
# 4 ALA HN 3 VAL HB 4.5 (# 748:20 Unique)
&rst
ixpk= 748, nxpk= 20, iat= 47, 35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 VAL HN 3 VAL HB 3.5 (# 749:20 Unique)
&rst
ixpk= 749, nxpk= 20, iat= 31, 35, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 1 MET HB+ 1 MET HA 4.5 (# 750:20 Double)
&rst
ixpk= 750, nxpk= 20, iat= -1, 6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 8, 9,
&end
#
# 1 MET HA 1 MET HB- 4.5 (# 751:20 Unique)
&rst
ixpk= 751, nxpk= 20, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 8, 9,
&end
#
# 120 TRP HB+ 90 VAL HB 4.5 (# 752:20 Unique)
&rst
ixpk= 752, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1821,1822,
&end
#
# 28 HIS HA 28 HIS HB3 4.5 (# 753:20 Unique)
&rst
ixpk= 753, nxpk= 20, iat= 426, 429, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 LYS HA 59 LYS HB+ 3.5 (# 754:20 Unique)
&rst
ixpk= 754, nxpk= 20, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 899, 900,
&end
#
# 59 LYS HG+ 59 LYS HB+ 3.5 (# 755:20 Unique)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 0 AMB 20-2:756 0 AMB 20-1:756 2.8 (# 756:20 Double)
&rst
ixpk= 756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 895, 749,
igr2= 899, 900, 899, 900, 899, 900,
&end
#
# 3 VAL HB 3 VAL HA 3.5 (# 757:20 Unique)
&rst
ixpk= 757, nxpk= 20, iat= 35, 33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:758 3 VAL HB 2.8 (# 758:20 Single)
&rst
ixpk= 758, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 37, 38, 39, 41, 42, 43, 37, 38, 39, 41,
42, 43,
&end
#
# 120 TRP HA 90 VAL HB 5.5 (# 759:20 Unique)
&rst
ixpk= 759, nxpk= 20, iat=1819,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 VAL MGY 90 VAL HB 3.5 (# 760:20 Unique)
&rst
ixpk= 760, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 90 VAL MGX 90 VAL HB 3.5 (# 761:20 Unique)
&rst
ixpk= 761, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 20-2:762 0 AMB 20-1:762 4.5 (# 762:20 Double)
&rst
ixpk= 762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1841, 441,
igr2=1821,1822, 429,
&end
#
# 106 THR MG2 120 TRP HB+ 3.5 (# 763:20 Unique)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1586,1587,1588,
igr2=1821,1822,
&end
#
# 120 TRP HA 120 TRP HB+ 3.5 (# 764:20 Unique)
&rst
ixpk= 764, nxpk= 20, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1821,1822,
&end
#
# 72 GLU HN 71 CYS HB2 4.5 (# 765:20 Unique)
&rst
ixpk= 765, nxpk= 20, iat=1077,1070, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:766 71 CYS HB2 3.5 (# 766:20 Single)
&rst
ixpk= 766, nxpk= 20, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 371, 372, 373, 414, 415, 416, 418, 419, 420, 923,
924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:767 0 AMB 20-1:767 3.5 (# 767:20 Double)
&rst
ixpk= 767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 168, 169, 170, 172, 173, 174,1689,1690,
igr2=1686,1687,1686,1687,
&end
#
# 112 LYS HN 112 LYS HB+ 3.5 (# 768:20 Unique)
&rst
ixpk= 768, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1686,1687,
&end
#
# 112 LYS HA 112 LYS HB+ 4.5 (# 769:20 Unique)
&rst
ixpk= 769, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1686,1687,
&end
#
# 112 LYS HA 112 LYS HB- 3.5 (# 770:20 Unique)
&rst
ixpk= 770, nxpk= 20, iat=1684, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1686,1687,
&end
#
# 112 LYS HN 112 LYS HB- 3.5 (# 771:20 Unique)
&rst
ixpk= 771, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1686,1687,
&end
#
# 0 AMB 20-2:772 112 LYS HB- 3.5 (# 772:20 Single)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 168, 169, 170, 172, 173, 174,1689,1690,
igr2=1686,1687,
&end
#
# 71 CYS HA 71 CYS HB2 3.5 (# 773:20 Unique)
&rst
ixpk= 773, nxpk= 20, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLU HN 71 CYS HB3 4.5 (# 774:20 Unique)
&rst
ixpk= 774, nxpk= 20, iat=1077,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 CYS HA 71 CYS HB3 3.5 (# 775:20 Unique)
&rst
ixpk= 775, nxpk= 20, iat=1068,1071, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ILE QG2 71 CYS HB3 3.5 (# 776:20 Unique)
&rst
ixpk= 776, nxpk= 20, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 371, 372, 373,
&end
#
# 71 CYS HN 71 CYS HB3 4.5 (# 777:20 Unique)
&rst
ixpk= 777, nxpk= 20, iat=1066,1071, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 LYS HN 110 LYS HB- 3.5 (# 778:20 Unique)
&rst
ixpk= 778, nxpk= 20, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1654,1655,
&end
#
# 0 AMB 20-2:779 110 LYS HB- 3.5 (# 779:20 Single)
&rst
ixpk= 779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1652,1596,
igr2=1654,1655,
&end
#
# 71 CYS HN 71 CYS HB2 3.5 (# 780:20 Unique)
&rst
ixpk= 780, nxpk= 20, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 TYR HE 71 CYS HB3 4.5 (# 781:20 Unique)
&rst
ixpk= 781, nxpk= 20, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 872, 877,
&end
#
# 111 ALA HN 110 LYS HB- 4.5 (# 782:20 Unique)
&rst
ixpk= 782, nxpk= 20, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1654,1655,
&end
#
# 0 AMB 20-2:783 0 AMB 20-1:783 5.5 (# 783:20 Double)
&rst
ixpk= 783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1405,1410,1403,1412,
igr2=1434,1435,1434,1435,
&end
#
# 118 VAL HN 118 VAL HB 4.5 (# 784:20 Unique)
&rst
ixpk= 784, nxpk= 20, iat=1787,1791, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:785 118 VAL HB 3.5 (# 785:20 Single)
&rst
ixpk= 785, nxpk= 20, iat= -1,1791, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,
&end
#
# 95 MET HA 95 MET HG+ 5.5 (# 786:20 Unique)
&rst
ixpk= 786, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1434,1435,
&end
#
# 0 AMB 20-2:787 95 MET HG- 5.5 (# 787:20 Single)
&rst
ixpk= 787, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1405,1410,1403,1412,
igr2=1434,1435,
&end
#
# 95 MET HA 95 MET HG- 5.5 (# 788:20 Unique)
&rst
ixpk= 788, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1434,1435,
&end
#
# 67 GLN HN 66 LYS HB+ 4.5 (# 789:20 Unique)
&rst
ixpk= 789, nxpk= 20, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1001,1002,
&end
#
# 66 LYS HN 66 LYS HB+ 2.8 (# 790:20 Unique)
&rst
ixpk= 790, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1001,1002,
&end
#
# 66 LYS HA 66 LYS HB+ 2.8 (# 791:20 Unique)
&rst
ixpk= 791, nxpk= 20, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1001,1002,
&end
#
# 95 MET HB+ 95 MET HG+ 4.5 (# 792:20 Unique)
&rst
ixpk= 792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1431,1432,
igr2=1434,1435,
&end
#
# 10 PRO HA 10 PRO HB- 2.8 (# 794:20 Unique)
&rst
ixpk= 794, nxpk= 20, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 143, 144,
&end
#
# 63 ASP HA 66 LYS HB+ 4.5 (# 795:20 Unique)
&rst
ixpk= 795, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1001,1002,
&end
#
# 60 VAL HB 60 VAL HA 3.5 (# 796:20 Double)
&rst
ixpk= 796, nxpk= 20, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 VAL MGY 60 VAL HB 2.8 (# 797:20 Unique)
&rst
ixpk= 797, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:798 0 AMB 20-1:798 2.8 (# 798:20 Double)
&rst
ixpk= 798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 917, 47,
igr2= 921, 480, 481,
&end
#
# 60 VAL MGX 60 VAL HB 2.8 (# 799:20 Unique)
&rst
ixpk= 799, nxpk= 20, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 10 PRO HA 10 PRO HB+ 3.5 (# 800:20 Unique)
&rst
ixpk= 800, nxpk= 20, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 143, 144,
&end
#
# 10 PRO HB+ 12 VAL HN 5.5 (# 802:20 Unique)
&rst
ixpk= 802, nxpk= 20, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 36 PRO HB+ 36 PRO HA 2.8 (# 804:20 Double)
&rst
ixpk= 804, nxpk= 20, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 535, 536,
&end
#
# 95 MET HA 95 MET HB- 3.5 (# 805:20 Unique)
&rst
ixpk= 805, nxpk= 20, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1431,1432,
&end
#
# 74 LEU MDX 26 ARG HB3 3.5 (# 806:20 Unique)
&rst
ixpk= 806, nxpk= 20, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 36 PRO HD- 36 PRO HB+ 3.5 (# 807:20 Unique)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 529, 530,
igr2= 535, 536,
&end
#
# 0 AMB 20-2:808 0 AMB 20-1:808 3.5 (# 808:20 Double)
&rst
ixpk= 808, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 577, 562,
igr2= 566, 567, 566, 567,
&end
#
# 6 LEU MDX 39 GLU HB+ 4.5 (# 809:20 Unique)
&rst
ixpk= 809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 566, 567,
&end
#
# 39 GLU HA 39 GLU HB+ 3.5 (# 810:20 Unique)
&rst
ixpk= 810, nxpk= 20, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 566, 567,
&end
#
# 0 AMB 20-2:812 0 AMB 20-1:812 3.5 (# 812:20 Double)
&rst
ixpk= 812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 478, 564,
igr2= 480, 481, 566, 567,
&end
#
# 39 GLU HB- 40 SER HN 3.5 (# 813:20 Single)
&rst
ixpk= 813, nxpk= 20, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 566, 567,
&end
#
# 36 PRO HB- 36 PRO HA 2.8 (# 814:20 Double)
&rst
ixpk= 814, nxpk= 20, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 535, 536,
&end
#
# 36 PRO HB- 36 PRO HD- 3.5 (# 815:20 Double)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 535, 536,
igr2= 529, 530,
&end
#
# 81 HIS HA 81 HIS HB+ 4.5 (# 816:20 Unique)
&rst
ixpk= 816, nxpk= 20, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1201,1202,
&end
#
# 81 HIS HA 81 HIS HB- 4.5 (# 817:20 Unique)
&rst
ixpk= 817, nxpk= 20, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1201,1202,
&end
#
# 6 LEU MDX 39 GLU HB- 3.5 (# 818:20 Unique)
&rst
ixpk= 818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 566, 567,
&end
#
# 0 AMB 20-2:819 0 AMB 20-1:819 3.5 (# 819:20 Double)
&rst
ixpk= 819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1112,1113,1114,1116,1117,1118, 650, 651, 652, 654,
655, 656,
igr2= 388,1613,
&end
#
# 108 LYS HA 108 LYS HB3 3.5 (# 820:20 Unique)
&rst
ixpk= 820, nxpk= 20, iat=1611,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:821 108 LYS HB3 4.5 (# 821:20 Single)
&rst
ixpk= 821, nxpk= 20, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 168, 169, 170, 172, 173, 174, 650, 651, 652, 654,
655, 656,
&end
#
# 108 LYS HN 108 LYS HB2 4.5 (# 822:20 Unique)
&rst
ixpk= 822, nxpk= 20, iat=1609,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 LYS HN 108 LYS HB3 4.5 (# 823:20 Unique)
&rst
ixpk= 823, nxpk= 20, iat=1609,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 HIS HA 102 HIS HB3 4.5 (# 824:20 Unique)
&rst
ixpk= 824, nxpk= 20, iat=1525,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 VAL MGX 102 HIS HB3 3.5 (# 825:20 Unique)
&rst
ixpk= 825, nxpk= 20, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 99 PRO HA 99 PRO HB- 4.5 (# 830:20 Unique)
&rst
ixpk= 830, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1489,1490,
&end
#
# 97 TYR HD 53 HIS HB+ 4.5 (# 833:20 Unique)
&rst
ixpk= 833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1462,1471,
igr2= 808, 809,
&end
#
# 0 AMB 20-2:834 53 HIS HB- 4.5 (# 834:20 Single)
&rst
ixpk= 834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 292,
igr2= 808, 809,
&end
#
# 53 HIS HA 53 HIS HB+ 4.5 (# 835:20 Unique)
&rst
ixpk= 835, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 808, 809,
&end
#
# 0 AMB 20-2:836 0 AMB 20-1:836 3.5 (# 836:20 Double)
&rst
ixpk= 836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 292,
igr2= 808, 809, 808, 809, 808, 809,
&end
#
# 117 GLU HA 117 GLU HB+ 3.5 (# 837:20 Unique)
&rst
ixpk= 837, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 87 LYS HG- 117 GLU HB- 5.5 (# 839:20 Unique)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1300,1301,
igr2=1776,1777,
&end
#
# 109 ILE HN 109 ILE HG1+ 4.5 (# 840:20 Unique)
&rst
ixpk= 840, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1641,1642,
&end
#
# 109 ILE QD1 109 ILE HG1+ 3.5 (# 842:20 Unique)
&rst
ixpk= 842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1644,1645,1646,
igr2=1641,1642,
&end
#
# 50 ALA HA 51 GLU HB- 5.5 (# 843:20 Unique)
&rst
ixpk= 843, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 772, 773,
&end
#
# 52 TYR HN 51 GLU HB- 4.5 (# 844:20 Unique)
&rst
ixpk= 844, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 772, 773,
&end
#
# 109 ILE HA 109 ILE HG1- 5.5 (# 846:20 Unique)
&rst
ixpk= 846, nxpk= 20, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1641,1642,
&end
#
# 118 VAL HN 117 GLU HB+ 5.5 (# 847:20 Unique)
&rst
ixpk= 847, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1776,1777,
&end
#
# 52 TYR HD 51 GLU HB+ 5.5 (# 848:20 Unique)
&rst
ixpk= 848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 791, 800,
igr2= 772, 773,
&end
#
# 52 TYR HN 51 GLU HB+ 4.5 (# 849:20 Unique)
&rst
ixpk= 849, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 772, 773,
&end
#
# 51 GLU HA 51 GLU HB+ 2.8 (# 850:20 Unique)
&rst
ixpk= 850, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 772, 773,
&end
#
# 51 GLU HN 51 GLU HB+ 3.5 (# 851:20 Unique)
&rst
ixpk= 851, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 772, 773,
&end
#
# 117 GLU HA 117 GLU HB- 3.5 (# 852:20 Unique)
&rst
ixpk= 852, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1776,1777,
&end
#
# 52 TYR HD 51 GLU HB- 4.5 (# 853:20 Unique)
&rst
ixpk= 853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 791, 800,
igr2= 772, 773,
&end
#
# 52 TYR HE 51 GLU HB- 5.5 (# 854:20 Unique)
&rst
ixpk= 854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 793, 798,
igr2= 772, 773,
&end
#
# 51 GLU HA 51 GLU HB- 2.8 (# 855:20 Unique)
&rst
ixpk= 855, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 772, 773,
&end
#
# 51 GLU HN 51 GLU HB- 3.5 (# 856:20 Unique)
&rst
ixpk= 856, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 772, 773,
&end
#
# 69 CYS HN 69 CYS HB3 4.5 (# 857:20 Unique)
&rst
ixpk= 857, nxpk= 20, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 VAL MGY 69 CYS HB3 3.5 (# 858:20 Unique)
&rst
ixpk= 858, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 69 CYS HB3 64 MET HB3 4.5 (# 859:20 Unique)
&rst
ixpk= 859, nxpk= 20, iat=1048, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 CYS HB2 64 MET HA 5.5 (# 860:20 Unique)
&rst
ixpk= 860, nxpk= 20, iat=1047, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 CYS HB2 64 MET HB3 3.5 (# 861:20 Unique)
&rst
ixpk= 861, nxpk= 20, iat=1047, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 CYS HB2 27 VAL MGY 3.5 (# 862:20 Unique)
&rst
ixpk= 862, nxpk= 20, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 0 AMB 20-2:863 69 CYS HB2 5.5 (# 863:20 Single)
&rst
ixpk= 863, nxpk= 20, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1054, 452,
&end
#
# 69 CYS HA 69 CYS HB2 3.5 (# 864:20 Unique)
&rst
ixpk= 864, nxpk= 20, iat=1045,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 CYS HN 69 CYS HB2 3.5 (# 865:20 Unique)
&rst
ixpk= 865, nxpk= 20, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 LYS HG- 117 GLU HB+ 4.5 (# 866:20 Unique)
&rst
ixpk= 866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1300,1301,
igr2=1776,1777,
&end
#
# 69 CYS HA 69 CYS HB3 3.5 (# 867:20 Unique)
&rst
ixpk= 867, nxpk= 20, iat=1045,1048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ASP HN 69 CYS HB3 3.5 (# 868:20 Unique)
&rst
ixpk= 868, nxpk= 20, iat=1054,1048, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HB+ 24 LEU MDX 4.5 (# 869:20 Double)
&rst
ixpk= 869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 614, 615,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 41 LYS HE- 41 LYS HD+ 5.5 (# 870:20 Unique)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 601, 602,
igr2= 598, 599,
&end
#
# 0 AMB 20-2:871 0 AMB 20-1:871 4.5 (# 871:20 Double)
&rst
ixpk= 871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 631, 632, 633, 123, 124, 125,
igr2= 598, 599, 598, 599,
&end
#
# 41 LYS HE+ 41 LYS HD- 4.5 (# 872:20 Unique)
&rst
ixpk= 872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 601, 602,
igr2= 598, 599,
&end
#
# 42 GLU HN 42 GLU HB+ 4.5 (# 874:20 Unique)
&rst
ixpk= 874, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 614, 615,
&end
#
# 42 GLU HA 42 GLU HB+ 4.5 (# 875:20 Unique)
&rst
ixpk= 875, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 614, 615,
&end
#
# 41 LYS HE+ 41 LYS HD+ 4.5 (# 876:20 Unique)
&rst
ixpk= 876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 601, 602,
igr2= 598, 599,
&end
#
# 41 LYS HG- 41 LYS HD+ 4.5 (# 877:20 Unique)
&rst
ixpk= 877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 595, 596,
igr2= 598, 599,
&end
#
# 43 ILE HN 42 GLU HB- 5.5 (# 878:20 Unique)
&rst
ixpk= 878, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 614, 615,
&end
#
# 42 GLU HN 42 GLU HB- 4.5 (# 879:20 Unique)
&rst
ixpk= 879, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 614, 615,
&end
#
# 42 GLU HA 42 GLU HB- 4.5 (# 880:20 Unique)
&rst
ixpk= 880, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 614, 615,
&end
#
# 0 AMB 20-2:881 42 GLU HB- 2.8 (# 881:20 Single)
&rst
ixpk= 881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 355, 356, 357, 359, 360, 361, 355, 356, 357, 359,
360, 361,
igr2= 614, 615,
&end
#
# 41 LYS HE- 41 LYS HD- 5.5 (# 882:20 Unique)
&rst
ixpk= 882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 601, 602,
igr2= 598, 599,
&end
#
# 67 GLN HN 67 GLN HB3 4.5 (# 883:20 Unique)
&rst
ixpk= 883, nxpk= 20, iat=1019,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLN HA 67 GLN HB3 2.8 (# 884:20 Unique)
&rst
ixpk= 884, nxpk= 20, iat=1021,1024, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 GLN HN 67 GLN HB2 3.5 (# 885:20 Unique)
&rst
ixpk= 885, nxpk= 20, iat=1019,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLN HB2 64 MET HA 4.5 (# 886:20 Unique)
&rst
ixpk= 886, nxpk= 20, iat=1023, 965, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 GLN HA 67 GLN HB2 3.5 (# 887:20 Unique)
&rst
ixpk= 887, nxpk= 20, iat=1021,1023, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 GLN HB3 64 MET HA 5.5 (# 888:20 Unique)
&rst
ixpk= 888, nxpk= 20, iat=1024, 965, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:889 0 AMB 20-1:889 3.5 (# 889:20 Double)
&rst
ixpk= 889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1306,1307,1338,1339,
igr2=1303,1304,1303,1304,
&end
#
# 0 AMB 20-2:890 87 LYS HD- 3.5 (# 890:20 Single)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1306,1307,1338,1339,
igr2=1303,1304,
&end
#
# 110 LYS HE+ 110 LYS HD- 3.5 (# 891:20 Unique)
&rst
ixpk= 891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1663,1664,
igr2=1660,1661,
&end
#
# 107 GLU HN 107 GLU HB+ 2.8 (# 892:20 Unique)
&rst
ixpk= 892, nxpk= 20, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1598,1599,
&end
#
# 107 GLU HA 107 GLU HB+ 2.8 (# 893:20 Unique)
&rst
ixpk= 893, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1598,1599,
&end
#
# 104 ILE HA 107 GLU HB+ 3.5 (# 894:20 Unique)
&rst
ixpk= 894, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1598,1599,
&end
#
# 66 LYS HD+ 63 ASP HA 4.5 (# 895:20 Unique)
&rst
ixpk= 895, nxpk= 20, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1007,1008,
&end
#
# 66 LYS HE+ 66 LYS HD+ 2.8 (# 896:20 Unique)
&rst
ixpk= 896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1010,1011,
igr2=1007,1008,
&end
#
# 104 ILE QG2 107 GLU HB+ 4.5 (# 897:20 Unique)
&rst
ixpk= 897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1556,1557,1558,
igr2=1598,1599,
&end
#
# 66 LYS HN 66 LYS HD+ 4.5 (# 898:20 Unique)
&rst
ixpk= 898, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1007,1008,
&end
#
# 66 LYS HD+ 66 LYS HA 4.5 (# 899:20 Unique)
&rst
ixpk= 899, nxpk= 20, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1007,1008,
&end
#
# 0 AMB 20-2:900 0 AMB 20-1:900 3.5 (# 900:20 Double)
&rst
ixpk= 900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 908, 909, 300, 301,1695,1696,
igr2= 905, 906, 297, 298,1692,1693,
&end
#
# 56 ILE HA 0 AMB 20-1:901 3.5 (# 901:20 Single)
&rst
ixpk= 901, nxpk= 20, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 853, 854, 905, 906,
&end
#
# 0 AMB 20-2:902 0 AMB 20-1:902 4.5 (# 902:20 Double)
&rst
ixpk= 902, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 300, 301,1695,1696,
igr2= 297, 298,1692,1693,
&end
#
# 0 AMB 20-2:903 0 AMB 20-1:903 2.8 (# 903:20 Double)
&rst
ixpk= 903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 762, 763, 764, 856, 857, 858, 168, 169, 170, 172,
173, 174, 292,
igr2= 853, 854,1692,1693, 297, 298,
&end
#
# 56 ILE HN 56 ILE HG1- 3.5 (# 905:20 Unique)
&rst
ixpk= 905, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 853, 854,
&end
#
# 56 ILE HN 56 ILE HG1+ 5.5 (# 906:20 Unique)
&rst
ixpk= 906, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 853, 854,
&end
#
# 49 TRP HD1 49 TRP HB+ 4.5 (# 907:20 Unique)
&rst
ixpk= 907, nxpk= 20, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 738, 739,
&end
#
# 49 TRP HA 49 TRP HB+ 2.8 (# 908:20 Unique)
&rst
ixpk= 908, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 738, 739,
&end
#
# 0 AMB 20-2:909 0 AMB 20-1:909 3.5 (# 909:20 Double)
&rst
ixpk= 909, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 897,1684,
igr2= 905, 906,1692,1693,
&end
#
# 0 AMB 20-2:910 0 AMB 20-1:910 3.5 (# 910:20 Double)
&rst
ixpk= 910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 749, 895,
igr2= 853, 854, 905, 906, 905, 906, 905, 906,
&end
#
# 0 AMB 20-2:911 112 LYS HD- 4.5 (# 911:20 Single)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1684,1611,
igr2=1692,1693,
&end
#
# 0 AMB 20-2:912 112 LYS HD- 3.5 (# 912:20 Single)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 168, 169, 170, 172, 173, 174,1689,1690,
igr2=1692,1693,
&end
#
# 49 TRP HA 49 TRP HB- 2.8 (# 914:20 Unique)
&rst
ixpk= 914, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 738, 739,
&end
#
# 0 AMB 20-2:915 0 AMB 20-1:915 5.5 (# 915:20 Double)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 300, 301,1695,1696,
igr2= 297, 298,1692,1693,
&end
#
# 0 AMB 20-2:916 0 AMB 20-1:916 3.5 (# 916:20 Double)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 168, 169, 170, 172, 173, 174,1689,1690,
igr2=1692,1693,1692,1693,
&end
#
# 0 AMB 20-2:917 0 AMB 20-1:917 3.5 (# 917:20 Double)
&rst
ixpk= 917, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 300, 301,1695,1696,
igr2= 297, 298,1692,1693,
&end
#
# 108 LYS HA 108 LYS HD- 4.5 (# 922:20 Unique)
&rst
ixpk= 922, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1619,1620,
&end
#
# 108 LYS HE+ 108 LYS HD+ 4.5 (# 923:20 Unique)
&rst
ixpk= 923, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1622,1623,
igr2=1619,1620,
&end
#
# 108 LYS HA 108 LYS HD+ 4.5 (# 924:20 Unique)
&rst
ixpk= 924, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1619,1620,
&end
#
# 108 LYS HE- 108 LYS HD+ 3.5 (# 925:20 Unique)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1622,1623,
igr2=1619,1620,
&end
#
# 79 ILE QD1 79 ILE HG1- 4.5 (# 926:20 Unique)
&rst
ixpk= 926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1180,1181,1182,
igr2=1177,1178,
&end
#
# 108 LYS HE+ 108 LYS HD- 4.5 (# 927:20 Unique)
&rst
ixpk= 927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1622,1623,
igr2=1619,1620,
&end
#
# 65 GLN HN 65 GLN HB3 3.5 (# 928:20 Unique)
&rst
ixpk= 928, nxpk= 20, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LYS HN 65 GLN HB3 4.5 (# 929:20 Unique)
&rst
ixpk= 929, nxpk= 20, iat= 997, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 GLN HA 65 GLN HB3 2.8 (# 930:20 Unique)
&rst
ixpk= 930, nxpk= 20, iat= 982, 985, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLY HA- 65 GLN HB3 5.5 (# 931:20 Unique)
&rst
ixpk= 931, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 947,
&end
#
# 66 LYS HN 65 GLN HB2 4.5 (# 932:20 Unique)
&rst
ixpk= 932, nxpk= 20, iat= 997, 984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLY HA- 65 GLN HB2 4.5 (# 933:20 Unique)
&rst
ixpk= 933, nxpk= 20, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 946, 947,
&end
#
# 65 GLN HN 65 GLN HB2 2.8 (# 934:20 Unique)
&rst
ixpk= 934, nxpk= 20, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 65 GLN HA 65 GLN HB2 3.5 (# 935:20 Unique)
&rst
ixpk= 935, nxpk= 20, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:936 25 ILE HG1- 2.8 (# 936:20 Single)
&rst
ixpk= 936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 378, 379, 380,
igr2= 375, 376,
&end
#
# 57 TYR HD 25 ILE HG1- 7.0 (# 937:20 Unique)
&rst
ixpk= 937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 870, 879,
igr2= 375, 376,
&end
#
# 104 ILE HN 104 ILE HG1- 3.5 (# 940:20 Unique)
&rst
ixpk= 940, nxpk= 20, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1560,1561,
&end
#
# 0 AMB 20-2:941 104 ILE HG1- 2.8 (# 941:20 Single)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1563,1564,1565,1556,1557,1558,
igr2=1560,1561,
&end
#
# 104 ILE HA 104 ILE HG1+ 3.5 (# 942:20 Unique)
&rst
ixpk= 942, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1560,1561,
&end
#
# 0 AMB 20-2:943 0 AMB 20-1:943 4.5 (# 943:20 Double)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1554,1510,1511,
igr2=1560,1561,1560,1561,
&end
#
# 31 PRO HG+ 35 ALA MB 5.5 (# 944:20 Unique)
&rst
ixpk= 944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 466, 467,
igr2= 522, 523, 524,
&end
#
# 82 GLN HN 82 GLN HB+ 3.5 (# 945:20 Unique)
&rst
ixpk= 945, nxpk= 20, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1218,1219,
&end
#
# 104 ILE HA 104 ILE HG1- 3.5 (# 946:20 Unique)
&rst
ixpk= 946, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1560,1561,
&end
#
# 78 ARG HD+ 78 ARG HG- 5.5 (# 947:20 Unique)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1153,1154,
igr2=1150,1151,
&end
#
# 104 ILE HN 104 ILE HG1+ 4.5 (# 948:20 Unique)
&rst
ixpk= 948, nxpk= 20, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1560,1561,
&end
#
# 57 TYR HD 25 ILE HG1+ 4.5 (# 949:20 Unique)
&rst
ixpk= 949, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 870, 879,
igr2= 375, 376,
&end
#
# 31 PRO HG+ 31 PRO HD+ 3.5 (# 950:20 Unique)
&rst
ixpk= 950, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 466, 467,
igr2= 463, 464,
&end
#
# 82 GLN HB+ 82 GLN HA 2.8 (# 952:20 Double)
&rst
ixpk= 952, nxpk= 20, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1218,1219,
&end
#
# 0 AMB 20-2:953 0 AMB 20-1:953 4.5 (# 953:20 Double)
&rst
ixpk= 953, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 394, 395, 394, 395,
igr2= 391, 392, 391, 392,
&end
#
# 0 AMB 20-2:955 26 ARG HG- 4.5 (# 955:20 Single)
&rst
ixpk= 955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 394, 395, 394, 395,
igr2= 391, 392,
&end
#
# 31 PRO HD- 31 PRO HG+ 2.8 (# 956:20 Unique)
&rst
ixpk= 956, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 463, 464,
igr2= 466, 467,
&end
#
# 31 PRO HG+ 31 PRO HA 4.5 (# 957:20 Double)
&rst
ixpk= 957, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467,
&end
#
# 10 PRO HG+ 9 ILE HA 4.5 (# 958:20 Double)
&rst
ixpk= 958, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 140, 141,
&end
#
# 10 PRO HG+ 9 ILE HA 5.5 (# 959:20 Unique)
&rst
ixpk= 959, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 140, 141,
&end
#
# 31 PRO HG- 31 PRO HA 4.5 (# 960:20 Unique)
&rst
ixpk= 960, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 466, 467,
&end
#
# 31 PRO HD+ 31 PRO HG- 3.5 (# 961:20 Unique)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 463, 464,
igr2= 466, 467,
&end
#
# 26 ARG HA 26 ARG HG- 5.5 (# 962:20 Unique)
&rst
ixpk= 962, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 391, 392,
&end
#
# 36 PRO HG+ 36 PRO HA 4.5 (# 963:20 Unique)
&rst
ixpk= 963, nxpk= 20, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 532, 533,
&end
#
# 35 ALA HA 36 PRO HG+ 4.5 (# 964:20 Unique)
&rst
ixpk= 964, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 532, 533,
&end
#
# 37 ALA HN 36 PRO HG+ 5.5 (# 967:20 Unique)
&rst
ixpk= 967, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 532, 533,
&end
#
# 36 PRO HD- 36 PRO HG+ 2.8 (# 968:20 Unique)
&rst
ixpk= 968, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 529, 530,
igr2= 532, 533,
&end
#
# 36 PRO HG+ 37 ALA MB 4.5 (# 969:20 Double)
&rst
ixpk= 969, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 532, 533,
igr2= 546, 547, 548,
&end
#
# 6 LEU HA 9 ILE HG1- 4.5 (# 970:20 Unique)
&rst
ixpk= 970, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 127, 128,
&end
#
# 9 ILE HG1+ 9 ILE HB 4.5 (# 971:20 Unique)
&rst
ixpk= 971, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 127, 128,
&end
#
# 6 LEU HG 29 SER HB- 5.5 (# 972:20 Unique)
&rst
ixpk= 972, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 445, 446,
&end
#
# 6 LEU HG 6 LEU HN 3.5 (# 973:20 Unique)
&rst
ixpk= 973, nxpk= 20, iat= 76, 69, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 LEU MDY 6 LEU HG 2.8 (# 974:20 Unique)
&rst
ixpk= 974, nxpk= 20, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 8 LEU HN 8 LEU HG 3.5 (# 975:20 Unique)
&rst
ixpk= 975, nxpk= 20, iat= 98, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 LEU HA 8 LEU HG 3.5 (# 976:20 Unique)
&rst
ixpk= 976, nxpk= 20, iat= 100, 105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ASP HB+ 8 LEU HG 5.5 (# 977:20 Unique)
&rst
ixpk= 977, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 61, 62,
&end
#
# 8 LEU HG 8 LEU MDY 2.8 (# 978:20 Unique)
&rst
ixpk= 978, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 9 ILE HN 9 ILE HG1- 3.5 (# 980:20 Unique)
&rst
ixpk= 980, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 127, 128,
&end
#
# 9 ILE HA 9 ILE HG1- 4.5 (# 981:20 Unique)
&rst
ixpk= 981, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 127, 128,
&end
#
# 9 ILE HG1- 9 ILE QD1 2.8 (# 982:20 Unique)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 127, 128,
igr2= 130, 131, 132,
&end
#
# 9 ILE HN 9 ILE HG1+ 4.5 (# 983:20 Unique)
&rst
ixpk= 983, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 127, 128,
&end
#
# 9 ILE HA 9 ILE HG1+ 4.5 (# 984:20 Unique)
&rst
ixpk= 984, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 127, 128,
&end
#
# 99 PRO HD+ 99 PRO HG+ 4.5 (# 985:20 Unique)
&rst
ixpk= 985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1483,1484,
igr2=1486,1487,
&end
#
# 99 PRO HD- 99 PRO HG+ 4.5 (# 986:20 Unique)
&rst
ixpk= 986, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1483,1484,
igr2=1486,1487,
&end
#
# 99 PRO HD+ 99 PRO HG- 4.5 (# 987:20 Unique)
&rst
ixpk= 987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1483,1484,
igr2=1486,1487,
&end
#
# 99 PRO HD- 99 PRO HG- 4.5 (# 988:20 Unique)
&rst
ixpk= 988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1483,1484,
igr2=1486,1487,
&end
#
# 6 LEU HG 29 SER HA 5.5 (# 989:20 Unique)
&rst
ixpk= 989, nxpk= 20, iat= 76, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LEU MDX 8 LEU HG 2.8 (# 990:20 Unique)
&rst
ixpk= 990, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 107, 108, 109, 111, 112, 113,
&end
#
# 73 CYS HA 73 CYS HB- 4.5 (# 995:20 Unique)
&rst
ixpk= 995, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1096,1097,
&end
#
# 73 CYS HN 73 CYS HB- 5.5 (# 996:20 Unique)
&rst
ixpk= 996, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 73 CYS HN 73 CYS HB+ 5.5 (# 997:20 Unique)
&rst
ixpk= 997, nxpk= 20, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 26 ARG HN 74 LEU HG 5.5 (# 999:20 Unique)
&rst
ixpk= 999, nxpk= 20, iat= 384,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HA 74 LEU HG 5.5 (# 1000:20 Unique)
&rst
ixpk= 1000, nxpk= 20, iat=1105,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU MDY 74 LEU HG 3.5 (# 1001:20 Unique)
&rst
ixpk= 1001, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 57 TYR HD 73 CYS HB- 5.5 (# 1002:20 Unique)
&rst
ixpk= 1002, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 870, 879,
igr2=1096,1097,
&end
#
# 74 LEU HN 74 LEU HG 4.5 (# 1003:20 Unique)
&rst
ixpk= 1003, nxpk= 20, iat=1103,1110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 HIS HN 101 GLN HB+ 5.5 (# 1004:20 Unique)
&rst
ixpk= 1004, nxpk= 20, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1510,1511,
&end
#
# 104 ILE HG1+ 101 GLN HB+ 4.5 (# 1005:20 Unique)
&rst
ixpk= 1005, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1560,1561,
igr2=1510,1511,
&end
#
# 43 ILE HB 43 ILE HG1- 5.5 (# 1006:20 Unique)
&rst
ixpk= 1006, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 635, 636,
&end
#
# 101 GLN HN 101 GLN HB+ 3.5 (# 1007:20 Unique)
&rst
ixpk= 1007, nxpk= 20, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1510,1511,
&end
#
# 101 GLN HA 101 GLN HB+ 3.5 (# 1008:20 Unique)
&rst
ixpk= 1008, nxpk= 20, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1510,1511,
&end
#
# 0 AMB 20-2:1009 0 AMB 20-1:1009 2.8 (# 1009:20 Double)
&rst
ixpk= 1009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,
igr2=1510,1511,1510,1511,
&end
#
# 0 AMB 20-2:1010 0 AMB 20-1:1010 5.5 (# 1010:20 Double)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1518,1519,1550,
igr2=1510,1511,1510,1511,
&end
#
# 101 GLN HN 101 GLN HB- 2.8 (# 1011:20 Unique)
&rst
ixpk= 1011, nxpk= 20, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1510,1511,
&end
#
# 104 ILE HG1+ 101 GLN HB- 7.0 (# 1012:20 Unique)
&rst
ixpk= 1012, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1560,1561,
igr2=1510,1511,
&end
#
# 0 AMB 20-2:1013 101 GLN HB- 2.8 (# 1013:20 Single)
&rst
ixpk= 1013, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1563,1564,1565, 355, 356, 357, 359, 360, 361,
igr2=1510,1511,
&end
#
# 101 GLN HA 101 GLN HB- 3.5 (# 1014:20 Unique)
&rst
ixpk= 1014, nxpk= 20, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1510,1511,
&end
#
# 25 ILE QD1 45 ARG HG+ 4.5 (# 1015:20 Unique)
&rst
ixpk= 1015, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 378, 379, 380,
igr2= 667, 668,
&end
#
# 0 AMB 20-2:1016 0 AMB 20-1:1016 4.5 (# 1016:20 Double)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
igr2= 667, 668, 667, 668,
&end
#
# 43 ILE QD1 43 ILE HG1- 3.5 (# 1017:20 Unique)
&rst
ixpk= 1017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 638, 639, 640,
igr2= 635, 636,
&end
#
# 43 ILE QD1 43 ILE HG1+ 4.5 (# 1018:20 Unique)
&rst
ixpk= 1018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 638, 639, 640,
igr2= 635, 636,
&end
#
# 100 ALA HA 101 GLN HB- 5.5 (# 1019:20 Unique)
&rst
ixpk= 1019, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1510,1511,
&end
#
# 105 SER HN 24 LEU MDX 7.0 (# 1020:20 Unique)
&rst
ixpk= 1020, nxpk= 20, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 101 GLN HN 24 LEU MDX 4.5 (# 1021:20 Unique)
&rst
ixpk= 1021, nxpk= 20, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 24 LEU HA 24 LEU MDX 5.5 (# 1022:20 Unique)
&rst
ixpk= 1022, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:1023 24 LEU MDX 5.5 (# 1023:20 Single)
&rst
ixpk= 1023, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1525,1508,1124,1125,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 74 LEU HN 0 AMB 20-1:1024 4.5 (# 1024:20 Single)
&rst
ixpk= 1024, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 74 LEU HA 74 LEU MDX 4.5 (# 1025:20 Unique)
&rst
ixpk= 1025, nxpk= 20, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 2.8 (# 1026:20 Double)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 614, 615, 388,1554,1510,1511, 617, 618,
igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
1117,1118,
&end
#
# 0 AMB 20-2:1027 74 LEU MDX 2.8 (# 1027:20 Single)
&rst
ixpk= 1027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1108, 389,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 0 AMB 20-2:1028 0 AMB 20-1:1028 2.8 (# 1028:20 Double)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1110, 350, 351,
igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 26 ARG HN 0 AMB 20-1:1029 4.5 (# 1029:20 Single)
&rst
ixpk= 1029, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 0 AMB 20-2:1030 0 AMB 20-1:1030 3.5 (# 1030:20 Double)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 617, 618, 617, 618,
igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 0 AMB 20-2:1031 0 AMB 20-1:1031 5.5 (# 1031:20 Double)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1084,1085,1513,1514,
igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 66 LYS HA 66 LYS HG+ 3.5 (# 1032:20 Unique)
&rst
ixpk= 1032, nxpk= 20, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1004,1005,
&end
#
# 110 LYS HN 110 LYS HG+ 5.5 (# 1033:20 Unique)
&rst
ixpk= 1033, nxpk= 20, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1657,1658,
&end
#
# 66 LYS HE+ 66 LYS HG+ 3.5 (# 1034:20 Unique)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1010,1011,
igr2=1004,1005,
&end
#
# 110 LYS HE+ 110 LYS HG- 3.5 (# 1035:20 Unique)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1663,1664,
igr2=1657,1658,
&end
#
# 110 LYS HA 110 LYS HG- 4.5 (# 1036:20 Unique)
&rst
ixpk= 1036, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1657,1658,
&end
#
# 0 AMB 20-2:1037 110 LYS HG- 3.5 (# 1037:20 Single)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,
igr2=1657,1658,
&end
#
# 110 LYS HN 110 LYS HG- 4.5 (# 1038:20 Unique)
&rst
ixpk= 1038, nxpk= 20, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1657,1658,
&end
#
# 66 LYS HN 66 LYS HG- 4.5 (# 1039:20 Unique)
&rst
ixpk= 1039, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:1040 0 AMB 20-1:1040 3.5 (# 1040:20 Double)
&rst
ixpk= 1040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1663,1664,1010,1011,
igr2=1657,1658,1004,1005,
&end
#
# 110 LYS HE+ 110 LYS HG+ 4.5 (# 1041:20 Unique)
&rst
ixpk= 1041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1663,1664,
igr2=1657,1658,
&end
#
# 0 AMB 20-2:1042 0 AMB 20-1:1042 4.5 (# 1042:20 Double)
&rst
ixpk= 1042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,
igr2=1657,1658,1657,1658,
&end
#
# 5 ASP HB- 8 LEU MDX 3.5 (# 1043:20 Unique)
&rst
ixpk= 1043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 61, 62,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 5 ASP HN 8 LEU MDX 5.5 (# 1044:20 Unique)
&rst
ixpk= 1044, nxpk= 20, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 40 SER HA 6 LEU MDX 3.5 (# 1045:20 Unique)
&rst
ixpk= 1045, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 28 HIS HA 6 LEU MDX 5.5 (# 1046:20 Unique)
&rst
ixpk= 1046, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 39 GLU HB+ 6 LEU MDX 3.5 (# 1047:20 Unique)
&rst
ixpk= 1047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 566, 567,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HB3 6 LEU MDX 2.8 (# 1048:20 Unique)
&rst
ixpk= 1048, nxpk= 20, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:1049 6 LEU MDX 3.5 (# 1049:20 Single)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 441, 69,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDX 40 SER HN 4.5 (# 1050:20 Single)
&rst
ixpk= 1050, nxpk= 20, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:1051 6 LEU MDX 4.5 (# 1051:20 Single)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 443, 564,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HA 6 LEU MDX 4.5 (# 1052:20 Unique)
&rst
ixpk= 1052, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:1053 6 LEU MDX 4.5 (# 1053:20 Single)
&rst
ixpk= 1053, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 569, 570, 569, 570,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:1054 6 LEU MDX 3.5 (# 1054:20 Single)
&rst
ixpk= 1054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 592, 593, 566, 567,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HG 6 LEU MDX 2.8 (# 1055:20 Unique)
&rst
ixpk= 1055, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 66 LYS HN 66 LYS HG+ 3.5 (# 1056:20 Unique)
&rst
ixpk= 1056, nxpk= 20, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1004,1005,
&end
#
# 63 ASP HA 66 LYS HG+ 5.5 (# 1057:20 Unique)
&rst
ixpk= 1057, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1004,1005,
&end
#
# 66 LYS HA 66 LYS HG- 3.5 (# 1058:20 Unique)
&rst
ixpk= 1058, nxpk= 20, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1004,1005,
&end
#
# 8 LEU HN 8 LEU MDX 4.5 (# 1059:20 Unique)
&rst
ixpk= 1059, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 8 LEU HA 8 LEU MDX 3.5 (# 1060:20 Unique)
&rst
ixpk= 1060, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 5 ASP HB+ 8 LEU MDX 3.5 (# 1061:20 Unique)
&rst
ixpk= 1061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 61, 62,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 8 LEU HB+ 8 LEU MDX 2.8 (# 1062:20 Unique)
&rst
ixpk= 1062, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 102, 103,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 8 LEU HG 8 LEU MDX 2.8 (# 1063:20 Unique)
&rst
ixpk= 1063, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 6 LEU MDX 29 SER HB- 4.5 (# 1064:20 Unique)
&rst
ixpk= 1064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 6 LEU MDX 6 LEU HB2 2.8 (# 1065:20 Single)
&rst
ixpk= 1065, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 41 LYS HN 6 LEU MDX 4.5 (# 1066:20 Unique)
&rst
ixpk= 1066, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDX 29 SER HB+ 4.5 (# 1067:20 Unique)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 6 LEU MDX 41 LYS HE+ 4.5 (# 1068:20 Unique)
&rst
ixpk= 1068, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 601, 602,
&end
#
# 112 LYS HE- 112 LYS HG+ 3.5 (# 1069:20 Unique)
&rst
ixpk= 1069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1695,1696,
igr2=1689,1690,
&end
#
# 112 LYS HE+ 112 LYS HG+ 3.5 (# 1070:20 Unique)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1695,1696,
igr2=1689,1690,
&end
#
# 0 AMB 20-2:1071 0 AMB 20-1:1071 2.8 (# 1071:20 Double)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1686,1687,1692,1693,
igr2=1689,1690,1689,1690,
&end
#
# 112 LYS HD- 112 LYS HG+ 4.5 (# 1072:20 Unique)
&rst
ixpk= 1072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1692,1693,
igr2=1689,1690,
&end
#
# 87 LYS HE+ 87 LYS HG- 4.5 (# 1073:20 Unique)
&rst
ixpk= 1073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1306,1307,
igr2=1300,1301,
&end
#
# 12 VAL HB 112 LYS HG+ 4.5 (# 1074:20 Unique)
&rst
ixpk= 1074, nxpk= 20, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1689,1690,
&end
#
# 0 AMB 20-2:1075 0 AMB 20-1:1075 3.5 (# 1075:20 Double)
&rst
ixpk= 1075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1622,1623,1306,1307,
igr2=1616,1617,1300,1301,
&end
#
# 0 AMB 20-2:1077 14 ILE HG1- 5.5 (# 1077:20 Single)
&rst
ixpk= 1077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 168, 169, 170, 172, 173, 174, 196, 197, 198,
igr2= 200, 201,
&end
#
# 108 LYS HA 108 LYS HG- 4.5 (# 1078:20 Unique)
&rst
ixpk= 1078, nxpk= 20, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1616,1617,
&end
#
# 108 LYS HN 108 LYS HG- 3.5 (# 1079:20 Unique)
&rst
ixpk= 1079, nxpk= 20, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1616,1617,
&end
#
# 59 LYS HA 59 LYS HG+ 3.5 (# 1080:20 Unique)
&rst
ixpk= 1080, nxpk= 20, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 902, 903,
&end
#
# 59 LYS HE+ 59 LYS HG+ 3.5 (# 1081:20 Unique)
&rst
ixpk= 1081, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 908, 909,
igr2= 902, 903,
&end
#
# 0 AMB 20-2:1082 0 AMB 20-1:1082 2.8 (# 1082:20 Double)
&rst
ixpk= 1082, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 899, 900, 899, 900,
igr2= 902, 903, 902, 903,
&end
#
# 0 AMB 20-2:1083 0 AMB 20-1:1083 3.5 (# 1083:20 Double)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 895, 749,
igr2= 902, 903, 902, 903,
&end
#
# 108 LYS HN 108 LYS HG+ 3.5 (# 1084:20 Unique)
&rst
ixpk= 1084, nxpk= 20, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1616,1617,
&end
#
# 14 ILE QD1 14 ILE HG1- 4.5 (# 1087:20 Unique)
&rst
ixpk= 1087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 203, 204, 205,
igr2= 200, 201,
&end
#
# 49 TRP HZ2 59 LYS HG+ 4.5 (# 1088:20 Unique)
&rst
ixpk= 1088, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 902, 903,
&end
#
# 14 ILE HN 14 ILE HG1- 4.5 (# 1089:20 Unique)
&rst
ixpk= 1089, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 200, 201,
&end
#
# 40 SER HA 6 LEU MDY 5.5 (# 1090:20 Unique)
&rst
ixpk= 1090, nxpk= 20, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 41 LYS HE+ 6 LEU MDY 5.5 (# 1091:20 Unique)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 601, 602,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:1092 23 VAL MGY 3.5 (# 1092:20 Single)
&rst
ixpk= 1092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 346, 862,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 23 VAL MGY 75 GLY HN 3.5 (# 1093:20 Unique)
&rst
ixpk= 1093, nxpk= 20, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 336, 337, 338, 340, 341, 342,
&end
#
# 97 TYR HD 23 VAL MGY 4.5 (# 1094:20 Unique)
&rst
ixpk= 1094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1462,1471,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 23 VAL HA 23 VAL MGY 3.5 (# 1095:20 Unique)
&rst
ixpk= 1095, nxpk= 20, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 76 GLY HA+ 23 VAL MGY 4.5 (# 1096:20 Unique)
&rst
ixpk= 1096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1131,1132,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 0 AMB 20-2:1097 23 VAL MGY 4.5 (# 1097:20 Single)
&rst
ixpk= 1097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 806, 864,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 76 GLY HA- 23 VAL MGY 3.5 (# 1098:20 Unique)
&rst
ixpk= 1098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1131,1132,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 53 HIS HB+ 23 VAL MGY 3.5 (# 1099:20 Unique)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 808, 809,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 0 AMB 20-2:1100 23 VAL MGY 2.8 (# 1100:20 Single)
&rst
ixpk= 1100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 847, 334,1096,1097,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 6 LEU MDY 29 SER HA 4.5 (# 1101:20 Single)
&rst
ixpk= 1101, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDY 29 SER HB+ 4.5 (# 1102:20 Unique)
&rst
ixpk= 1102, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 6 LEU HA 6 LEU MDY 2.8 (# 1103:20 Unique)
&rst
ixpk= 1103, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDY 29 SER HB- 4.5 (# 1104:20 Unique)
&rst
ixpk= 1104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 6 LEU MDY 6 LEU HB2 3.5 (# 1105:20 Single)
&rst
ixpk= 1105, nxpk= 20, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HG 6 LEU MDY 2.8 (# 1106:20 Unique)
&rst
ixpk= 1106, nxpk= 20, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 41 LYS HD- 6 LEU MDY 5.5 (# 1107:20 Unique)
&rst
ixpk= 1107, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 598, 599,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HB3 6 LEU MDY 3.5 (# 1108:20 Unique)
&rst
ixpk= 1108, nxpk= 20, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 23 VAL HN 23 VAL MGY 4.5 (# 1109:20 Unique)
&rst
ixpk= 1109, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 97 TYR HE 23 VAL MGY 4.5 (# 1110:20 Unique)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1464,1469,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 57 TYR HB2 23 VAL MGY 4.5 (# 1111:20 Unique)
&rst
ixpk= 1111, nxpk= 20, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 0 AMB 20-2:1113 6 LEU MDY 3.5 (# 1113:20 Single)
&rst
ixpk= 1113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 441, 69,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:1114 6 LEU MDY 5.5 (# 1114:20 Single)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 592, 593, 566, 567,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 28 HIS HA 6 LEU MDY 5.5 (# 1115:20 Unique)
&rst
ixpk= 1115, nxpk= 20, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 41 LYS HN 41 LYS HG+ 5.5 (# 1116:20 Unique)
&rst
ixpk= 1116, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 595, 596,
&end
#
# 41 LYS HB- 41 LYS HG+ 4.5 (# 1117:20 Unique)
&rst
ixpk= 1117, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 592, 593,
igr2= 595, 596,
&end
#
# 0 AMB 20-2:1118 12 VAL MGY 2.8 (# 1118:20 Single)
&rst
ixpk= 1118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1692,1693, 200, 201,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:1119 12 VAL MGY 3.5 (# 1119:20 Single)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 162,1631,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 12 VAL HA 12 VAL MGY 3.5 (# 1120:20 Unique)
&rst
ixpk= 1120, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:1121 0 AMB 20-1:1121 2.8 (# 1121:20 Double)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1641,1642, 166, 592, 593, 592, 593,
igr2= 168, 169, 170, 172, 173, 174, 595, 596,
&end
#
# 0 AMB 20-2:1122 121 ALA MB 4.5 (# 1122:20 Single)
&rst
ixpk= 1122, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1855,1856,1338,1339,
igr2=1845,1846,1847,
&end
#
# 109 ILE HA 12 VAL MGY 5.5 (# 1123:20 Unique)
&rst
ixpk= 1123, nxpk= 20, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 122 ASN HN 121 ALA MB 3.5 (# 1124:20 Unique)
&rst
ixpk= 1124, nxpk= 20, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1845,1846,1847,
&end
#
# 121 ALA HN 121 ALA MB 3.5 (# 1125:20 Unique)
&rst
ixpk= 1125, nxpk= 20, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1845,1846,1847,
&end
#
# 0 AMB 20-2:1126 121 ALA MB 5.5 (# 1126:20 Single)
&rst
ixpk= 1126, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1817,1388,
igr2=1845,1846,1847,
&end
#
# 123 ASP HN 121 ALA MB 3.5 (# 1127:20 Unique)
&rst
ixpk= 1127, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1845,1846,1847,
&end
#
# 89 HIS HE1 121 ALA MB 2.8 (# 1128:20 Unique)
&rst
ixpk= 1128, nxpk= 20, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1845,1846,1847,
&end
#
# 121 ALA MB 91 TYR HD 7.0 (# 1129:20 Unique)
&rst
ixpk= 1129, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1845,1846,1847,
igr2=1375,1384,
&end
#
# 0 AMB 20-2:1130 121 ALA MB 5.5 (# 1130:20 Single)
&rst
ixpk= 1130, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1369,1853,
igr2=1845,1846,1847,
&end
#
# 121 ALA HA 121 ALA MB 2.8 (# 1131:20 Unique)
&rst
ixpk= 1131, nxpk= 20, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1845,1846,1847,
&end
#
# 123 ASP HB+ 121 ALA MB 3.5 (# 1132:20 Unique)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1869,1870,
igr2=1845,1846,1847,
&end
#
# 120 TRP HA 121 ALA MB 5.5 (# 1133:20 Unique)
&rst
ixpk= 1133, nxpk= 20, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1845,1846,1847,
&end
#
# 102 HIS HD2 24 LEU MDY 5.5 (# 1134:20 Unique)
&rst
ixpk= 1134, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 42 GLU HA 24 LEU MDY 5.5 (# 1135:20 Unique)
&rst
ixpk= 1135, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:1136 12 VAL MGX 3.5 (# 1136:20 Single)
&rst
ixpk= 1136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 162,1631,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 108 LYS HN 12 VAL MGX 7.0 (# 1137:20 Unique)
&rst
ixpk= 1137, nxpk= 20, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 12 VAL HA 12 VAL MGX 2.8 (# 1138:20 Unique)
&rst
ixpk= 1138, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:1139 12 VAL MGX 4.5 (# 1139:20 Single)
&rst
ixpk= 1139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1611,1684,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 109 ILE HA 12 VAL MGX 2.8 (# 1140:20 Unique)
&rst
ixpk= 1140, nxpk= 20, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:1141 12 VAL MGX 3.5 (# 1141:20 Single)
&rst
ixpk= 1141, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 154, 155,1622,1623,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 11 ASP HB- 12 VAL MGX 4.5 (# 1142:20 Unique)
&rst
ixpk= 1142, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 154, 155,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:1143 12 VAL MGX 2.8 (# 1143:20 Single)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1641,1642, 166,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:1144 12 VAL MGX 2.8 (# 1144:20 Single)
&rst
ixpk= 1144, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1614,1686,1687,1692,1693,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 112 LYS HD- 12 VAL MGX 4.5 (# 1145:20 Unique)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1692,1693,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 13 ASP HN 12 VAL MGX 5.5 (# 1146:20 Unique)
&rst
ixpk= 1146, nxpk= 20, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 25 ILE HN 24 LEU MDY 3.5 (# 1147:20 Unique)
&rst
ixpk= 1147, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 24 LEU HA 24 LEU MDY 2.8 (# 1148:20 Unique)
&rst
ixpk= 1148, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:1149 24 LEU MDY 4.5 (# 1149:20 Single)
&rst
ixpk= 1149, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 646, 367,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 105 SER HA 24 LEU MDY 4.5 (# 1150:20 Unique)
&rst
ixpk= 1150, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 42 GLU HG+ 24 LEU MDY 4.5 (# 1151:20 Unique)
&rst
ixpk= 1151, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 617, 618,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:1152 24 LEU MDY 2.8 (# 1152:20 Single)
&rst
ixpk= 1152, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 614, 615,1554,1510,1511, 617, 618,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:1153 24 LEU MDY 2.8 (# 1153:20 Single)
&rst
ixpk= 1153, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 614, 615, 350, 351,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 43 ILE HN 24 LEU MDY 5.5 (# 1154:20 Unique)
&rst
ixpk= 1154, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 12 VAL MGX 44 VAL HN 4.5 (# 1155:20 Single)
&rst
ixpk= 1155, nxpk= 20, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:1156 90 VAL MGX 3.5 (# 1156:20 Single)
&rst
ixpk= 1156, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1573,1525,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 90 VAL HB 90 VAL MGX 3.5 (# 1157:20 Unique)
&rst
ixpk= 1157, nxpk= 20, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 90 VAL HN 90 VAL MGX 4.5 (# 1158:20 Unique)
&rst
ixpk= 1158, nxpk= 20, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 20-2:1159 90 VAL MGX 4.5 (# 1159:20 Single)
&rst
ixpk= 1159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1582,1574,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 91 TYR HN 90 VAL MGX 3.5 (# 1160:20 Unique)
&rst
ixpk= 1160, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 102 HIS HD2 90 VAL MGX 3.5 (# 1161:20 Unique)
&rst
ixpk= 1161, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 90 VAL HA 90 VAL MGX 3.5 (# 1162:20 Unique)
&rst
ixpk= 1162, nxpk= 20, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 102 HIS HB3 90 VAL MGX 4.5 (# 1163:20 Unique)
&rst
ixpk= 1163, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 20-2:1164 90 VAL MGX 5.5 (# 1164:20 Single)
&rst
ixpk= 1164, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1527,1371,1372,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 20-2:1165 90 VAL MGX 5.5 (# 1165:20 Single)
&rst
ixpk= 1165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1821,1822, 313, 314,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 61 SER HN 60 VAL MGY 4.5 (# 1166:20 Unique)
&rst
ixpk= 1166, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 60 VAL HN 60 VAL MGY 2.8 (# 1167:20 Unique)
&rst
ixpk= 1167, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:1168 60 VAL MGY 5.5 (# 1168:20 Single)
&rst
ixpk= 1168, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 749, 895,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 47 TYR HE 60 VAL MGY 4.5 (# 1169:20 Unique)
&rst
ixpk= 1169, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 701, 706,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:1170 60 VAL MGY 5.5 (# 1170:20 Single)
&rst
ixpk= 1170, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 935, 897,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:1171 60 VAL MGY 2.8 (# 1171:20 Single)
&rst
ixpk= 1171, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 670, 671, 919,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 60 VAL HB 60 VAL MGY 2.8 (# 1172:20 Unique)
&rst
ixpk= 1172, nxpk= 20, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 106 THR HN 106 THR MG2 3.5 (# 1173:20 Unique)
&rst
ixpk= 1173, nxpk= 20, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1586,1587,1588,
&end
#
# 106 THR MG2 107 GLU HN 4.5 (# 1174:20 Single)
&rst
ixpk= 1174, nxpk= 20, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1586,1587,1588,
&end
#
# 120 TRP HD1 106 THR MG2 2.8 (# 1175:20 Unique)
&rst
ixpk= 1175, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1586,1587,1588,
&end
#
# 120 TRP HA 106 THR MG2 5.5 (# 1176:20 Unique)
&rst
ixpk= 1176, nxpk= 20, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1586,1587,1588,
&end
#
# 106 THR HB 106 THR MG2 2.8 (# 1177:20 Unique)
&rst
ixpk= 1177, nxpk= 20, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1586,1587,1588,
&end
#
# 106 THR HA 106 THR MG2 2.8 (# 1178:20 Unique)
&rst
ixpk= 1178, nxpk= 20, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1586,1587,1588,
&end
#
# 120 TRP HB+ 106 THR MG2 2.8 (# 1179:20 Unique)
&rst
ixpk= 1179, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1821,1822,
igr2=1586,1587,1588,
&end
#
# 118 VAL HB 106 THR MG2 4.5 (# 1180:20 Unique)
&rst
ixpk= 1180, nxpk= 20, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1586,1587,1588,
&end
#
# 106 THR MG2 90 VAL HB 3.5 (# 1181:20 Unique)
&rst
ixpk= 1181, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1586,1587,1588,
&end
#
# 90 VAL MGY 106 THR MG2 3.5 (# 1182:20 Unique)
&rst
ixpk= 1182, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1357,1358,1359,1361,1362,1363,
igr2=1586,1587,1588,
&end
#
# 8 LEU HN 8 LEU MDY 3.5 (# 1183:20 Unique)
&rst
ixpk= 1183, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 8 LEU HA 8 LEU MDY 2.8 (# 1184:20 Unique)
&rst
ixpk= 1184, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 8 LEU HG 8 LEU MDY 2.8 (# 1185:20 Unique)
&rst
ixpk= 1185, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 43 ILE QD1 60 VAL MGY 5.5 (# 1186:20 Unique)
&rst
ixpk= 1186, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 638, 639, 640,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 5 ASP HB+ 8 LEU MDY 5.5 (# 1187:20 Unique)
&rst
ixpk= 1187, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 61, 62,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 118 VAL HA 118 VAL MGY 3.5 (# 1188:20 Unique)
&rst
ixpk= 1188, nxpk= 20, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 106 THR HB 118 VAL MGY 4.5 (# 1189:20 Unique)
&rst
ixpk= 1189, nxpk= 20, iat=1584, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 106 THR HA 118 VAL MGY 3.5 (# 1190:20 Unique)
&rst
ixpk= 1190, nxpk= 20, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 118 VAL HB 118 VAL MGY 2.8 (# 1191:20 Unique)
&rst
ixpk= 1191, nxpk= 20, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 110 LYS HG+ 118 VAL MGY 3.5 (# 1192:20 Unique)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1657,1658,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 0 AMB 20-2:1193 118 VAL MGY 5.5 (# 1193:20 Single)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1631,1351,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 0 AMB 20-2:1195 0 AMB 20-1:1195 2.8 (# 1195:20 Double)
&rst
ixpk= 1195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1635,1660,1661,1657,1658, 369,
igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
419, 420,
&end
#
# 41 LYS HN 27 VAL MGY 4.5 (# 1196:20 Unique)
&rst
ixpk= 1196, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 27 VAL MGY 70 ASP HN 5.5 (# 1197:20 Unique)
&rst
ixpk= 1197, nxpk= 20, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 27 VAL MGY 69 CYS HB3 3.5 (# 1198:20 Unique)
&rst
ixpk= 1198, nxpk= 20, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 0 AMB 20-2:1199 27 VAL MGY 3.5 (# 1199:20 Single)
&rst
ixpk= 1199, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1047,1058,1059,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 119 THR HN 119 THR MG2 4.5 (# 1200:20 Unique)
&rst
ixpk= 1200, nxpk= 20, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1809,1810,1811,
&end
#
# 118 VAL HN 119 THR MG2 5.5 (# 1201:20 Unique)
&rst
ixpk= 1201, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1809,1810,1811,
&end
#
# 120 TRP HN 119 THR MG2 3.5 (# 1202:20 Unique)
&rst
ixpk= 1202, nxpk= 20, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1809,1810,1811,
&end
#
# 118 VAL HA 119 THR MG2 5.5 (# 1203:20 Unique)
&rst
ixpk= 1203, nxpk= 20, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1809,1810,1811,
&end
#
# 119 THR HA 119 THR MG2 2.8 (# 1204:20 Unique)
&rst
ixpk= 1204, nxpk= 20, iat=1805, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1809,1810,1811,
&end
#
# 119 THR HB 119 THR MG2 2.8 (# 1205:20 Unique)
&rst
ixpk= 1205, nxpk= 20, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1809,1810,1811,
&end
#
# 117 GLU HG+ 119 THR MG2 4.5 (# 1206:20 Unique)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1779,1780,
igr2=1809,1810,1811,
&end
#
# 117 GLU HG- 119 THR MG2 3.5 (# 1207:20 Unique)
&rst
ixpk= 1207, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1779,1780,
igr2=1809,1810,1811,
&end
#
# 0 AMB 20-2:1208 119 THR MG2 4.5 (# 1208:20 Single)
&rst
ixpk= 1208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1776,1777,1791,
igr2=1809,1810,1811,
&end
#
# 0 AMB 20-2:1209 0 AMB 20-1:1209 2.8 (# 1209:20 Double)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 408,1803,
igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
1798,1799,
&end
#
# 110 LYS HB+ 118 VAL MGY 2.8 (# 1210:20 Unique)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1654,1655,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 0 AMB 20-2:1211 0 AMB 20-1:1211 2.8 (# 1211:20 Double)
&rst
ixpk= 1211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 424,1650,
igr2= 414, 415, 416, 418, 419, 420,1793,1794,1795,1797,
1798,1799,
&end
#
# 118 VAL HN 118 VAL MGY 4.5 (# 1212:20 Unique)
&rst
ixpk= 1212, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 27 VAL HA 27 VAL MGY 2.8 (# 1213:20 Unique)
&rst
ixpk= 1213, nxpk= 20, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 0 AMB 20-2:1214 0 AMB 20-1:1214 2.8 (# 1214:20 Double)
&rst
ixpk= 1214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1654,1655, 412,
igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
419, 420,
&end
#
# 118 VAL HN 118 VAL MGX 4.5 (# 1215:20 Unique)
&rst
ixpk= 1215, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 118 VAL HB 118 VAL MGX 2.8 (# 1216:20 Unique)
&rst
ixpk= 1216, nxpk= 20, iat=1791, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 118 VAL HA 118 VAL MGX 3.5 (# 1217:20 Unique)
&rst
ixpk= 1217, nxpk= 20, iat=1789, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 117 GLU HA 119 THR MG2 5.5 (# 1218:20 Unique)
&rst
ixpk= 1218, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1809,1810,1811,
&end
#
# 0 AMB 20-2:1219 44 VAL MGY 4.5 (# 1219:20 Single)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 627, 662,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 61 SER HN 60 VAL MGX 4.5 (# 1220:20 Unique)
&rst
ixpk= 1220, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 60 VAL MGX 60 VAL HA 2.8 (# 1221:20 Single)
&rst
ixpk= 1221, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 64 MET HG+ 60 VAL MGX 3.5 (# 1222:20 Unique)
&rst
ixpk= 1222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 970, 971,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 3 VAL MGY 32 ARG HB+ 2.8 (# 1223:20 Double)
&rst
ixpk= 1223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 37, 38, 39, 41, 42, 43,
igr2= 480, 481,
&end
#
# 60 VAL MGX 45 ARG HG+ 2.8 (# 1224:20 Double)
&rst
ixpk= 1224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 667, 668,
&end
#
# 64 MET HG- 60 VAL MGX 3.5 (# 1225:20 Unique)
&rst
ixpk= 1225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 970, 971,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:1227 27 VAL MGY 4.5 (# 1227:20 Single)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 386, 426,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 64 MET HG- 27 VAL MGY 4.5 (# 1228:20 Unique)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 970, 971,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 64 MET HG+ 27 VAL MGY 4.5 (# 1229:20 Unique)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 970, 971,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 118 VAL MGY 22 TYR HD 7.0 (# 1230:20 Unique)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1793,1794,1795,1797,1798,1799,
igr2= 317, 326,
&end
#
# 44 VAL HN 44 VAL MGY 3.5 (# 1231:20 Unique)
&rst
ixpk= 1231, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 45 ARG HN 44 VAL MGY 4.5 (# 1232:20 Unique)
&rst
ixpk= 1232, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 44 VAL HA 44 VAL MGY 3.5 (# 1233:20 Unique)
&rst
ixpk= 1233, nxpk= 20, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 12 VAL HA 44 VAL MGY 5.5 (# 1234:20 Unique)
&rst
ixpk= 1234, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 105 SER HA 44 VAL MGY 3.5 (# 1235:20 Unique)
&rst
ixpk= 1235, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 105 SER HB3 44 VAL MGY 3.5 (# 1236:20 Unique)
&rst
ixpk= 1236, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 2.8 (# 1237:20 Double)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 667, 668,1619,1620,1614,
igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
655, 656,
&end
#
# 60 VAL MGX 60 VAL HN 3.5 (# 1238:20 Unique)
&rst
ixpk= 1238, nxpk= 20, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 44 VAL MGY 12 VAL HA 5.5 (# 1239:20 Double)
&rst
ixpk= 1239, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 74 LEU HN 74 LEU MDY 5.5 (# 1240:20 Unique)
&rst
ixpk= 1240, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 60 VAL MGX 64 MET HN 5.5 (# 1241:20 Unique)
&rst
ixpk= 1241, nxpk= 20, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 78 ARG HD- 19 VAL MGX 3.5 (# 1242:20 Unique)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1153,1154,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 110 LYS HG+ 118 VAL MGX 4.5 (# 1243:20 Unique)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1657,1658,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 0 AMB 20-2:1244 0 AMB 20-1:1244 3.5 (# 1244:20 Double)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1190,1191,1652,
igr2= 257, 258, 259, 261, 262, 263,1793,1794,1795,1797,
1798,1799,
&end
#
# 74 LEU HA 74 LEU MDY 2.8 (# 1245:20 Unique)
&rst
ixpk= 1245, nxpk= 20, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 0 AMB 20-2:1246 74 LEU MDY 4.5 (# 1246:20 Single)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1084,1085,1084,1085,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 42 GLU HG+ 74 LEU MDY 4.5 (# 1247:20 Unique)
&rst
ixpk= 1247, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 617, 618,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 0 AMB 20-2:1248 74 LEU MDY 2.8 (# 1248:20 Single)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1108, 389,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 74 LEU HG 74 LEU MDY 2.8 (# 1249:20 Unique)
&rst
ixpk= 1249, nxpk= 20, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 74 LEU HB2 74 LEU MDY 3.5 (# 1250:20 Unique)
&rst
ixpk= 1250, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 90 VAL HA 90 VAL MGY 3.5 (# 1251:20 Unique)
&rst
ixpk= 1251, nxpk= 20, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 90 VAL HN 90 VAL MGY 3.5 (# 1252:20 Unique)
&rst
ixpk= 1252, nxpk= 20, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 90 VAL HB 90 VAL MGY 3.5 (# 1253:20 Unique)
&rst
ixpk= 1253, nxpk= 20, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 106 THR MG2 90 VAL MGY 3.5 (# 1254:20 Unique)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1586,1587,1588,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 89 HIS HA 90 VAL MGY 4.5 (# 1255:20 Unique)
&rst
ixpk= 1255, nxpk= 20, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 106 THR HA 90 VAL MGY 4.5 (# 1256:20 Unique)
&rst
ixpk= 1256, nxpk= 20, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 3 VAL MGY 3 VAL HA 2.8 (# 1257:20 Unique)
&rst
ixpk= 1257, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 37, 38, 39, 41, 42, 43,
&end
#
# 3 VAL MGY 3 VAL HB 2.8 (# 1258:20 Unique)
&rst
ixpk= 1258, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 37, 38, 39, 41, 42, 43,
&end
#
# 21 LYS HN 19 VAL MGX 4.5 (# 1259:20 Unique)
&rst
ixpk= 1259, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 20 PHE HN 19 VAL MGX 3.5 (# 1260:20 Unique)
&rst
ixpk= 1260, nxpk= 20, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 78 ARG HA 19 VAL MGX 5.5 (# 1261:20 Unique)
&rst
ixpk= 1261, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 78 ARG HD+ 19 VAL MGX 3.5 (# 1262:20 Unique)
&rst
ixpk= 1262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1153,1154,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 19 VAL HB 19 VAL MGX 2.8 (# 1263:20 Unique)
&rst
ixpk= 1263, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 19 VAL HA 19 VAL MGX 2.8 (# 1264:20 Unique)
&rst
ixpk= 1264, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 3 VAL HN 3 VAL MGY 3.5 (# 1265:20 Unique)
&rst
ixpk= 1265, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 37, 38, 39, 41, 42, 43,
&end
#
# 19 VAL MGY 19 VAL HB 2.8 (# 1266:20 Double)
&rst
ixpk= 1266, nxpk= 20, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 44 VAL HN 44 VAL MGX 4.5 (# 1267:20 Unique)
&rst
ixpk= 1267, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 19 VAL HN 19 VAL MGY 3.5 (# 1268:20 Unique)
&rst
ixpk= 1268, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 19 VAL HA 19 VAL MGY 2.8 (# 1269:20 Unique)
&rst
ixpk= 1269, nxpk= 20, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 19 VAL MGY 80 SER HB- 3.5 (# 1270:20 Unique)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 257, 258, 259, 261, 262, 263,
igr2=1190,1191,
&end
#
# 45 ARG HN 44 VAL MGX 4.5 (# 1272:20 Unique)
&rst
ixpk= 1272, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 44 VAL HA 44 VAL MGX 3.5 (# 1273:20 Unique)
&rst
ixpk= 1273, nxpk= 20, iat= 646, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 44 VAL HB 44 VAL MGX 2.8 (# 1274:20 Unique)
&rst
ixpk= 1274, nxpk= 20, iat= 648, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 79 ILE QD1 44 VAL MGX 3.5 (# 1275:20 Unique)
&rst
ixpk= 1275, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1180,1181,1182,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 102 HIS HD2 44 VAL MGX 5.5 (# 1276:20 Unique)
&rst
ixpk= 1276, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 20 PHE HN 19 VAL MGY 4.5 (# 1277:20 Unique)
&rst
ixpk= 1277, nxpk= 20, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 4 ALA HN 3 VAL MGX 5.5 (# 1278:20 Unique)
&rst
ixpk= 1278, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 37, 38, 39, 41, 42, 43,
&end
#
# 3 VAL HN 3 VAL MGX 3.5 (# 1282:20 Unique)
&rst
ixpk= 1282, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 37, 38, 39, 41, 42, 43,
&end
#
# 3 VAL MGX 3 VAL HB 2.8 (# 1283:20 Unique)
&rst
ixpk= 1283, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 37, 38, 39, 41, 42, 43,
&end
#
# 3 VAL MGX 2 ALA HA 4.5 (# 1284:20 Unique)
&rst
ixpk= 1284, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 37, 38, 39, 41, 42, 43,
&end
#
# 32 ARG HG+ 3 VAL MGX 4.5 (# 1286:20 Unique)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 483, 484,
igr2= 37, 38, 39, 41, 42, 43,
&end
#
# 109 ILE HB 109 ILE QG2 4.5 (# 1287:20 Unique)
&rst
ixpk= 1287, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1637,1638,1639,
&end
#
# 23 VAL HN 23 VAL MGX 3.5 (# 1289:20 Unique)
&rst
ixpk= 1289, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 45 ARG HN 23 VAL MGX 5.5 (# 1290:20 Unique)
&rst
ixpk= 1290, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 0 AMB 20-2:1291 23 VAL MGX 4.5 (# 1291:20 Single)
&rst
ixpk= 1291, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 346, 862,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 57 TYR HD 23 VAL MGX 4.5 (# 1292:20 Unique)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 870, 879,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 57 TYR HE 23 VAL MGX 7.0 (# 1293:20 Unique)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 872, 877,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 22 TYR HA 23 VAL MGX 5.5 (# 1294:20 Unique)
&rst
ixpk= 1294, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 25 ILE HA 23 VAL MGX 4.5 (# 1295:20 Unique)
&rst
ixpk= 1295, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 23 VAL HA 23 VAL MGX 5.5 (# 1296:20 Unique)
&rst
ixpk= 1296, nxpk= 20, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 109 ILE HA 109 ILE QG2 4.5 (# 1298:20 Unique)
&rst
ixpk= 1298, nxpk= 20, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1637,1638,1639,
&end
#
# 57 TYR HB2 23 VAL MGX 5.5 (# 1301:20 Unique)
&rst
ixpk= 1301, nxpk= 20, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 0 AMB 20-2:1302 23 VAL MGX 2.8 (# 1302:20 Single)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 847, 334,1096,1097,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 25 ILE HG1- 23 VAL MGX 2.8 (# 1303:20 Unique)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 375, 376,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 38 ALA HN 38 ALA MB 2.8 (# 1304:20 Unique)
&rst
ixpk= 1304, nxpk= 20, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 556, 557, 558,
&end
#
# 0 AMB 20-2:1305 38 ALA MB 5.5 (# 1305:20 Single)
&rst
ixpk= 1305, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 564, 443,
igr2= 556, 557, 558,
&end
#
# 38 ALA HA 38 ALA MB 2.8 (# 1306:20 Unique)
&rst
ixpk= 1306, nxpk= 20, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 556, 557, 558,
&end
#
# 0 AMB 20-2:1307 38 ALA MB 4.5 (# 1307:20 Single)
&rst
ixpk= 1307, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 569, 570, 569, 570,
igr2= 556, 557, 558,
&end
#
# 37 ALA MB 38 ALA HN 3.5 (# 1309:20 Unique)
&rst
ixpk= 1309, nxpk= 20, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 546, 547, 548,
&end
#
# 37 ALA HN 37 ALA MB 2.8 (# 1310:20 Unique)
&rst
ixpk= 1310, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 546, 547, 548,
&end
#
# 37 ALA HA 37 ALA MB 2.8 (# 1311:20 Unique)
&rst
ixpk= 1311, nxpk= 20, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 546, 547, 548,
&end
#
# 0 AMB 20-2:1312 37 ALA MB 4.5 (# 1312:20 Single)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 569, 570, 569, 570,
igr2= 546, 547, 548,
&end
#
# 37 ALA MB 36 PRO HG- 4.5 (# 1313:20 Single)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 546, 547, 548,
igr2= 532, 533,
&end
#
# 4 ALA HN 4 ALA MB 2.8 (# 1314:20 Unique)
&rst
ixpk= 1314, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 51, 52, 53,
&end
#
# 30 ALA HN 4 ALA MB 5.5 (# 1315:20 Unique)
&rst
ixpk= 1315, nxpk= 20, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 5 ASP HN 4 ALA MB 3.5 (# 1316:20 Unique)
&rst
ixpk= 1316, nxpk= 20, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 4 ALA HA 4 ALA MB 2.8 (# 1317:20 Unique)
&rst
ixpk= 1317, nxpk= 20, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 51, 52, 53,
&end
#
# 4 ALA MB 3 VAL HA 4.5 (# 1318:20 Unique)
&rst
ixpk= 1318, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 51, 52, 53,
&end
#
# 4 ALA MB 68 GLY HA- 5.5 (# 1319:20 Unique)
&rst
ixpk= 1319, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 51, 52, 53,
igr2=1038,1039,
&end
#
# 4 ALA MB 31 PRO HG+ 4.5 (# 1320:20 Single)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 51, 52, 53,
igr2= 466, 467,
&end
#
# 4 ALA MB 6 LEU HN 5.5 (# 1321:20 Unique)
&rst
ixpk= 1321, nxpk= 20, iat= -1, 69, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 51, 52, 53,
&end
#
# 67 GLN HA 4 ALA MB 3.5 (# 1322:20 Unique)
&rst
ixpk= 1322, nxpk= 20, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 4 ALA MB 5 ASP HB+ 7.0 (# 1323:20 Single)
&rst
ixpk= 1323, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 51, 52, 53,
igr2= 61, 62,
&end
#
# 67 GLN HB3 4 ALA MB 3.5 (# 1324:20 Unique)
&rst
ixpk= 1324, nxpk= 20, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 51, 52, 53,
&end
#
# 29 SER HN 38 ALA MB 5.5 (# 1325:20 Unique)
&rst
ixpk= 1325, nxpk= 20, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 556, 557, 558,
&end
#
# 63 ASP HN 64 MET ME 7.0 (# 1328:20 Unique)
&rst
ixpk= 1328, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 974, 975, 976,
&end
#
# 67 GLN HE2- 64 MET ME 4.5 (# 1329:20 Unique)
&rst
ixpk= 1329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1031,1032,
igr2= 974, 975, 976,
&end
#
# 64 MET HA 64 MET ME 2.8 (# 1333:20 Unique)
&rst
ixpk= 1333, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 974, 975, 976,
&end
#
# 0 AMB 20-2:1335 64 MET ME 5.5 (# 1335:20 Single)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1048, 601, 602,
igr2= 974, 975, 976,
&end
#
# 64 MET HG+ 64 MET ME 2.8 (# 1336:20 Unique)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 970, 971,
igr2= 974, 975, 976,
&end
#
# 60 VAL MGY 64 MET ME 4.5 (# 1337:20 Unique)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 974, 975, 976,
&end
#
# 9 ILE HG1+ 64 MET ME 3.5 (# 1338:20 Unique)
&rst
ixpk= 1338, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 127, 128,
igr2= 974, 975, 976,
&end
#
# 60 VAL MGX 64 MET ME 2.8 (# 1339:20 Unique)
&rst
ixpk= 1339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 974, 975, 976,
&end
#
# 0 AMB 20-2:1340 64 MET ME 2.8 (# 1340:20 Single)
&rst
ixpk= 1340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 123, 124, 125, 130, 131, 132,
igr2= 974, 975, 976,
&end
#
# 43 ILE QD1 64 MET ME 2.8 (# 1341:20 Unique)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 638, 639, 640,
igr2= 974, 975, 976,
&end
#
# 64 MET HN 64 MET ME 4.5 (# 1342:20 Unique)
&rst
ixpk= 1342, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 974, 975, 976,
&end
#
# 67 GLN HN 64 MET ME 5.5 (# 1343:20 Unique)
&rst
ixpk= 1343, nxpk= 20, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 67 GLN HE2+ 64 MET ME 5.5 (# 1344:20 Unique)
&rst
ixpk= 1344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1031,1032,
igr2= 974, 975, 976,
&end
#
# 64 MET ME 60 VAL HA 5.5 (# 1345:20 Single)
&rst
ixpk= 1345, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 974, 975, 976,
&end
#
# 63 ASP HB3 64 MET ME 3.5 (# 1346:20 Unique)
&rst
ixpk= 1346, nxpk= 20, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 974, 975, 976,
&end
#
# 3 VAL HN 2 ALA MB 3.5 (# 1348:20 Unique)
&rst
ixpk= 1348, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 25, 26, 27,
&end
#
# 2 ALA HA 2 ALA MB 2.8 (# 1349:20 Unique)
&rst
ixpk= 1349, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 25, 26, 27,
&end
#
# 47 TYR HD 50 ALA MB 5.5 (# 1350:20 Unique)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 699, 708,
igr2= 762, 763, 764,
&end
#
# 56 ILE HA 50 ALA MB 5.5 (# 1351:20 Unique)
&rst
ixpk= 1351, nxpk= 20, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 762, 763, 764,
&end
#
# 2 ALA HA 2 ALA MB 3.5 (# 1353:20 Unique)
&rst
ixpk= 1353, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 25, 26, 27,
&end
#
# 51 GLU HA 50 ALA MB 5.5 (# 1354:20 Unique)
&rst
ixpk= 1354, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 762, 763, 764,
&end
#
# 55 ASP HB2 50 ALA MB 3.5 (# 1355:20 Unique)
&rst
ixpk= 1355, nxpk= 20, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 762, 763, 764,
&end
#
# 0 AMB 20-2:1356 50 ALA MB 5.5 (# 1356:20 Single)
&rst
ixpk= 1356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 902, 903, 665,
igr2= 762, 763, 764,
&end
#
# 51 GLU HN 50 ALA MB 3.5 (# 1357:20 Unique)
&rst
ixpk= 1357, nxpk= 20, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 762, 763, 764,
&end
#
# 52 TYR HN 50 ALA MB 4.5 (# 1358:20 Unique)
&rst
ixpk= 1358, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 762, 763, 764,
&end
#
# 56 ILE HN 50 ALA MB 3.5 (# 1359:20 Unique)
&rst
ixpk= 1359, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 762, 763, 764,
&end
#
# 49 TRP HZ3 50 ALA MB 4.5 (# 1360:20 Unique)
&rst
ixpk= 1360, nxpk= 20, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 762, 763, 764,
&end
#
# 50 ALA HN 50 ALA MB 2.8 (# 1361:20 Unique)
&rst
ixpk= 1361, nxpk= 20, iat= 758, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 762, 763, 764,
&end
#
# 50 ALA HA 50 ALA MB 2.8 (# 1362:20 Unique)
&rst
ixpk= 1362, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 762, 763, 764,
&end
#
# 55 ASP HB3 50 ALA MB 3.5 (# 1363:20 Unique)
&rst
ixpk= 1363, nxpk= 20, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 762, 763, 764,
&end
#
# 56 ILE HG1- 50 ALA MB 2.8 (# 1364:20 Unique)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 853, 854,
igr2= 762, 763, 764,
&end
#
# 46 GLY HA+ 56 ILE QG2 5.5 (# 1366:20 Unique)
&rst
ixpk= 1366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 686, 687,
igr2= 849, 850, 851,
&end
#
# 45 ARG HN 56 ILE QG2 7.0 (# 1367:20 Unique)
&rst
ixpk= 1367, nxpk= 20, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 849, 850, 851,
&end
#
# 57 TYR HN 56 ILE QG2 5.5 (# 1368:20 Unique)
&rst
ixpk= 1368, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 49 TRP HH2 56 ILE QG2 5.5 (# 1369:20 Unique)
&rst
ixpk= 1369, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 47 TYR HE 56 ILE QG2 3.5 (# 1370:20 Unique)
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 701, 706,
igr2= 849, 850, 851,
&end
#
# 56 ILE HA 56 ILE QG2 2.8 (# 1371:20 Unique)
&rst
ixpk= 1371, nxpk= 20, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 849, 850, 851,
&end
#
# 0 AMB 20-2:1372 56 ILE QG2 2.8 (# 1372:20 Single)
&rst
ixpk= 1372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 847, 334,
igr2= 849, 850, 851,
&end
#
# 60 VAL HB 56 ILE QG2 5.5 (# 1373:20 Unique)
&rst
ixpk= 1373, nxpk= 20, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 56 ILE HG1- 56 ILE QG2 3.5 (# 1374:20 Unique)
&rst
ixpk= 1374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 853, 854,
igr2= 849, 850, 851,
&end
#
# 45 ARG HB3 56 ILE QG2 3.5 (# 1375:20 Unique)
&rst
ixpk= 1375, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 849, 850, 851,
&end
#
# 0 AMB 20-2:1376 100 ALA MB 4.5 (# 1376:20 Single)
&rst
ixpk= 1376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 348,1397,
igr2=1500,1501,1502,
&end
#
# 99 PRO HA 100 ALA MB 5.5 (# 1377:20 Unique)
&rst
ixpk= 1377, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1500,1501,1502,
&end
#
# 56 ILE HN 56 ILE QG2 4.5 (# 1379:20 Unique)
&rst
ixpk= 1379, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 849, 850, 851,
&end
#
# 47 TYR HD 56 ILE QG2 3.5 (# 1380:20 Unique)
&rst
ixpk= 1380, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 699, 708,
igr2= 849, 850, 851,
&end
#
# 47 TYR HN 56 ILE QG2 5.5 (# 1381:20 Unique)
&rst
ixpk= 1381, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 24 LEU HN 100 ALA MB 4.5 (# 1382:20 Unique)
&rst
ixpk= 1382, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1500,1501,1502,
&end
#
# 101 GLN HN 100 ALA MB 3.5 (# 1383:20 Unique)
&rst
ixpk= 1383, nxpk= 20, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1500,1501,1502,
&end
#
# 0 AMB 20-2:1384 100 ALA MB 3.5 (# 1384:20 Single)
&rst
ixpk= 1384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 319, 324,1136,1533,
igr2=1500,1501,1502,
&end
#
# 100 ALA HN 100 ALA MB 2.8 (# 1385:20 Unique)
&rst
ixpk= 1385, nxpk= 20, iat=1496, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1500,1501,1502,
&end
#
# 102 HIS HD2 100 ALA MB 4.5 (# 1386:20 Unique)
&rst
ixpk= 1386, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1500,1501,1502,
&end
#
# 23 VAL HA 100 ALA MB 5.5 (# 1387:20 Unique)
&rst
ixpk= 1387, nxpk= 20, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1500,1501,1502,
&end
#
# 100 ALA HA 100 ALA MB 2.8 (# 1388:20 Unique)
&rst
ixpk= 1388, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1500,1501,1502,
&end
#
# 0 AMB 20-2:1389 100 ALA MB 3.5 (# 1389:20 Single)
&rst
ixpk= 1389, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1525,1124,1125,1508,
igr2=1500,1501,1502,
&end
#
# 76 GLY HA- 100 ALA MB 4.5 (# 1390:20 Unique)
&rst
ixpk= 1390, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1131,1132,
igr2=1500,1501,1502,
&end
#
# 0 AMB 20-2:1391 100 ALA MB 4.5 (# 1391:20 Single)
&rst
ixpk= 1391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1510,1511,1554,
igr2=1500,1501,1502,
&end
#
# 101 GLN HB- 100 ALA MB 5.5 (# 1392:20 Unique)
&rst
ixpk= 1392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1510,1511,
igr2=1500,1501,1502,
&end
#
# 24 LEU HB+ 100 ALA MB 3.5 (# 1393:20 Unique)
&rst
ixpk= 1393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 350, 351,
igr2=1500,1501,1502,
&end
#
# 55 ASP HN 54 ALA MB 3.5 (# 1394:20 Unique)
&rst
ixpk= 1394, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 825, 826, 827,
&end
#
# 96 ALA MB 54 ALA MB 4.5 (# 1395:20 Unique)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1448,1449,1450,
igr2= 825, 826, 827,
&end
#
# 54 ALA HN 54 ALA MB 2.8 (# 1396:20 Unique)
&rst
ixpk= 1396, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 825, 826, 827,
&end
#
# 57 TYR HD 54 ALA MB 7.0 (# 1397:20 Unique)
&rst
ixpk= 1397, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 870, 879,
igr2= 825, 826, 827,
&end
#
# 97 TYR HE 54 ALA MB 4.5 (# 1398:20 Unique)
&rst
ixpk= 1398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1464,1469,
igr2= 825, 826, 827,
&end
#
# 55 ASP HA 54 ALA MB 5.5 (# 1399:20 Unique)
&rst
ixpk= 1399, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 825, 826, 827,
&end
#
# 30 ALA MB 33 SER HA 4.5 (# 1401:20 Double)
&rst
ixpk= 1401, nxpk= 20, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 456, 457, 458,
&end
#
# 57 TYR HN 54 ALA MB 7.0 (# 1402:20 Unique)
&rst
ixpk= 1402, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 825, 826, 827,
&end
#
# 54 ALA HA 54 ALA MB 2.8 (# 1403:20 Unique)
&rst
ixpk= 1403, nxpk= 20, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 825, 826, 827,
&end
#
# 52 TYR HB+ 54 ALA MB 4.5 (# 1404:20 Unique)
&rst
ixpk= 1404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 787, 788,
igr2= 825, 826, 827,
&end
#
# 0 AMB 20-2:1405 54 ALA MB 4.5 (# 1405:20 Single)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 867, 836,
igr2= 825, 826, 827,
&end
#
# 52 TYR HB- 54 ALA MB 3.5 (# 1406:20 Unique)
&rst
ixpk= 1406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 787, 788,
igr2= 825, 826, 827,
&end
#
# 58 ASP HB+ 54 ALA MB 7.0 (# 1407:20 Unique)
&rst
ixpk= 1407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 887, 888,
igr2= 825, 826, 827,
&end
#
# 30 ALA HA 30 ALA MB 2.8 (# 1408:20 Unique)
&rst
ixpk= 1408, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 456, 457, 458,
&end
#
# 30 ALA MB 29 SER HA 4.5 (# 1409:20 Single)
&rst
ixpk= 1409, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 456, 457, 458,
&end
#
# 35 ALA HN 35 ALA MB 3.5 (# 1410:20 Unique)
&rst
ixpk= 1410, nxpk= 20, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 522, 523, 524,
&end
#
# 35 ALA HA 35 ALA MB 2.8 (# 1411:20 Unique)
&rst
ixpk= 1411, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 522, 523, 524,
&end
#
# 0 AMB 20-2:1412 35 ALA MB 3.5 (# 1412:20 Single)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 529, 530, 463, 464,
igr2= 522, 523, 524,
&end
#
# 88 ILE HA 88 ILE QG2 5.5 (# 1413:20 Unique)
&rst
ixpk= 1413, nxpk= 20, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1321,1322,1323,
&end
#
# 30 ALA MB 30 ALA HN 3.5 (# 1415:20 Single)
&rst
ixpk= 1415, nxpk= 20, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 456, 457, 458,
&end
#
# 30 ALA MB 31 PRO HD+ 3.5 (# 1416:20 Unique)
&rst
ixpk= 1416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 456, 457, 458,
igr2= 463, 464,
&end
#
# 31 PRO HD- 30 ALA MB 3.5 (# 1417:20 Unique)
&rst
ixpk= 1417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 463, 464,
igr2= 456, 457, 458,
&end
#
# 41 LYS HE+ 43 ILE QG2 4.5 (# 1418:20 Unique)
&rst
ixpk= 1418, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 601, 602,
igr2= 631, 632, 633,
&end
#
# 0 AMB 20-2:1419 43 ILE QG2 4.5 (# 1419:20 Single)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 412, 121,
igr2= 631, 632, 633,
&end
#
# 43 ILE HN 43 ILE QG2 4.5 (# 1420:20 Unique)
&rst
ixpk= 1420, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 631, 632, 633,
&end
#
# 0 AMB 20-2:1421 43 ILE QG2 4.5 (# 1421:20 Single)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 644, 150,
igr2= 631, 632, 633,
&end
#
# 43 ILE HA 43 ILE QG2 2.8 (# 1422:20 Unique)
&rst
ixpk= 1422, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 631, 632, 633,
&end
#
# 0 AMB 20-2:1423 0 AMB 20-1:1423 7.0 (# 1423:20 Double)
&rst
ixpk= 1423, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1418, 590,
igr2=1448,1449,1450, 631, 632, 633,
&end
#
# 11 ASP HA 43 ILE QG2 2.8 (# 1424:20 Unique)
&rst
ixpk= 1424, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 631, 632, 633,
&end
#
# 0 AMB 20-2:1425 43 ILE QG2 3.5 (# 1425:20 Single)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 601, 602, 154, 155,
igr2= 631, 632, 633,
&end
#
# 43 ILE HB 43 ILE QG2 2.8 (# 1426:20 Unique)
&rst
ixpk= 1426, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 631, 632, 633,
&end
#
# 0 AMB 20-2:1427 43 ILE QG2 3.5 (# 1427:20 Single)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 598, 599,1619,1620, 667, 668, 369,
igr2= 631, 632, 633,
&end
#
# 45 ARG HE 43 ILE QG2 5.5 (# 1428:20 Unique)
&rst
ixpk= 1428, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 631, 632, 633,
&end
#
# 97 TYR HD 96 ALA MB 5.5 (# 1429:20 Unique)
&rst
ixpk= 1429, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1462,1471,
igr2=1448,1449,1450,
&end
#
# 96 ALA HA 96 ALA MB 2.8 (# 1430:20 Unique)
&rst
ixpk= 1430, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1448,1449,1450,
&end
#
# 43 ILE QG2 41 LYS HD- 4.5 (# 1431:20 Double)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 631, 632, 633,
igr2= 598, 599,
&end
#
# 6 LEU HN 7 ALA MB 5.5 (# 1432:20 Unique)
&rst
ixpk= 1432, nxpk= 20, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 92, 93, 94,
&end
#
# 97 TYR HN 96 ALA MB 5.5 (# 1433:20 Unique)
&rst
ixpk= 1433, nxpk= 20, iat=1454, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1448,1449,1450,
&end
#
# 0 AMB 20-2:1434 103 ALA MB 4.5 (# 1434:20 Single)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1508,1525,1584,
igr2=1544,1545,1546,
&end
#
# 7 ALA HN 7 ALA MB 2.8 (# 1435:20 Unique)
&rst
ixpk= 1435, nxpk= 20, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 92, 93, 94,
&end
#
# 8 LEU HN 7 ALA MB 3.5 (# 1436:20 Unique)
&rst
ixpk= 1436, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 7 ALA HA 7 ALA MB 2.8 (# 1437:20 Unique)
&rst
ixpk= 1437, nxpk= 20, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 92, 93, 94,
&end
#
# 104 ILE HN 103 ALA MB 3.5 (# 1438:20 Unique)
&rst
ixpk= 1438, nxpk= 20, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1544,1545,1546,
&end
#
# 0 AMB 20-2:1439 103 ALA MB 5.5 (# 1439:20 Single)
&rst
ixpk= 1439, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1832,1594,
igr2=1544,1545,1546,
&end
#
# 103 ALA HN 103 ALA MB 2.8 (# 1440:20 Unique)
&rst
ixpk= 1440, nxpk= 20, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1544,1545,1546,
&end
#
# 120 TRP HZ2 103 ALA MB 3.5 (# 1441:20 Unique)
&rst
ixpk= 1441, nxpk= 20, iat=1830, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1544,1545,1546,
&end
#
# 120 TRP HD1 103 ALA MB 4.5 (# 1442:20 Unique)
&rst
ixpk= 1442, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1544,1545,1546,
&end
#
# 103 ALA HA 103 ALA MB 2.8 (# 1443:20 Unique)
&rst
ixpk= 1443, nxpk= 20, iat=1542, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1544,1545,1546,
&end
#
# 0 AMB 20-2:1444 103 ALA MB 5.5 (# 1444:20 Single)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1513,1514,1598,1599,
igr2=1544,1545,1546,
&end
#
# 0 AMB 20-2:1445 103 ALA MB 4.5 (# 1445:20 Single)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1510,1511,1554,
igr2=1544,1545,1546,
&end
#
# 112 LYS HN 111 ALA MB 3.5 (# 1446:20 Unique)
&rst
ixpk= 1446, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1676,1677,1678,
&end
#
# 111 ALA HN 111 ALA MB 2.8 (# 1447:20 Unique)
&rst
ixpk= 1447, nxpk= 20, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:1448 111 ALA MB 2.8 (# 1448:20 Single)
&rst
ixpk= 1448, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1674,1611,
igr2=1676,1677,1678,
&end
#
# 79 ILE HG1- 79 ILE QG2 4.5 (# 1449:20 Unique)
&rst
ixpk= 1449, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1177,1178,
igr2=1173,1174,1175,
&end
#
# 79 ILE HA 79 ILE QG2 4.5 (# 1451:20 Unique)
&rst
ixpk= 1451, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1173,1174,1175,
&end
#
# 80 SER HN 79 ILE QG2 5.5 (# 1452:20 Unique)
&rst
ixpk= 1452, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1173,1174,1175,
&end
#
# 14 ILE HN 14 ILE QG2 5.5 (# 1453:20 Unique)
&rst
ixpk= 1453, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 196, 197, 198,
&end
#
# 46 GLY HN 14 ILE QG2 3.5 (# 1454:20 Unique)
&rst
ixpk= 1454, nxpk= 20, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 196, 197, 198,
&end
#
# 14 ILE HA 14 ILE QG2 2.8 (# 1455:20 Unique)
&rst
ixpk= 1455, nxpk= 20, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 196, 197, 198,
&end
#
# 46 GLY HA- 14 ILE QG2 5.5 (# 1456:20 Unique)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 686, 687,
igr2= 196, 197, 198,
&end
#
# 14 ILE HB 14 ILE QG2 3.5 (# 1457:20 Unique)
&rst
ixpk= 1457, nxpk= 20, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 196, 197, 198,
&end
#
# 14 ILE HG1- 14 ILE QG2 3.5 (# 1458:20 Unique)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 200, 201,
igr2= 196, 197, 198,
&end
#
# 79 ILE QD1 14 ILE QG2 2.8 (# 1459:20 Unique)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1180,1181,1182,
igr2= 196, 197, 198,
&end
#
# 13 ASP HN 14 ILE QG2 4.5 (# 1460:20 Unique)
&rst
ixpk= 1460, nxpk= 20, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 196, 197, 198,
&end
#
# 47 TYR HD 14 ILE QG2 5.5 (# 1461:20 Unique)
&rst
ixpk= 1461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 699, 708,
igr2= 196, 197, 198,
&end
#
# 0 AMB 20-2:1462 25 ILE QG2 5.5 (# 1462:20 Single)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1096,1097,1081,1082, 334,
igr2= 371, 372, 373,
&end
#
# 26 ARG HN 25 ILE QG2 3.5 (# 1463:20 Unique)
&rst
ixpk= 1463, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 371, 372, 373,
&end
#
# 25 ILE HN 25 ILE QG2 4.5 (# 1464:20 Unique)
&rst
ixpk= 1464, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 371, 372, 373,
&end
#
# 72 GLU HN 25 ILE QG2 3.5 (# 1465:20 Unique)
&rst
ixpk= 1465, nxpk= 20, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 371, 372, 373,
&end
#
# 57 TYR HE 25 ILE QG2 3.5 (# 1466:20 Unique)
&rst
ixpk= 1466, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 872, 877,
igr2= 371, 372, 373,
&end
#
# 25 ILE HA 25 ILE QG2 2.8 (# 1467:20 Unique)
&rst
ixpk= 1467, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 371, 372, 373,
&end
#
# 71 CYS HB2 25 ILE QG2 3.5 (# 1468:20 Unique)
&rst
ixpk= 1468, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 371, 372, 373,
&end
#
# 71 CYS HB3 25 ILE QG2 3.5 (# 1469:20 Unique)
&rst
ixpk= 1469, nxpk= 20, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 371, 372, 373,
&end
#
# 26 ARG HB2 25 ILE QG2 5.5 (# 1470:20 Unique)
&rst
ixpk= 1470, nxpk= 20, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 371, 372, 373,
&end
#
# 0 AMB 20-2:1471 25 ILE QG2 2.8 (# 1471:20 Single)
&rst
ixpk= 1471, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 369, 375, 376,
igr2= 371, 372, 373,
&end
#
# 57 TYR HD 25 ILE QG2 4.5 (# 1472:20 Unique)
&rst
ixpk= 1472, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 870, 879,
igr2= 371, 372, 373,
&end
#
# 27 VAL HB 25 ILE QG2 5.5 (# 1473:20 Unique)
&rst
ixpk= 1473, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 371, 372, 373,
&end
#
# 73 CYS HA 25 ILE QG2 4.5 (# 1474:20 Unique)
&rst
ixpk= 1474, nxpk= 20, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 371, 372, 373,
&end
#
# 9 ILE HN 9 ILE QG2 4.5 (# 1475:20 Unique)
&rst
ixpk= 1475, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 123, 124, 125,
&end
#
# 10 PRO HD- 9 ILE QG2 4.5 (# 1477:20 Unique)
&rst
ixpk= 1477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 137, 138,
igr2= 123, 124, 125,
&end
#
# 10 PRO HD+ 9 ILE QG2 4.5 (# 1478:20 Unique)
&rst
ixpk= 1478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 137, 138,
igr2= 123, 124, 125,
&end
#
# 41 LYS HE+ 9 ILE QG2 7.0 (# 1479:20 Unique)
&rst
ixpk= 1479, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 601, 602,
igr2= 123, 124, 125,
&end
#
# 9 ILE HB 9 ILE QG2 2.8 (# 1480:20 Unique)
&rst
ixpk= 1480, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 123, 124, 125,
&end
#
# 9 ILE HA 9 ILE QG2 3.5 (# 1482:20 Unique)
&rst
ixpk= 1482, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 123, 124, 125,
&end
#
# 9 ILE HG1- 9 ILE QG2 3.5 (# 1483:20 Unique)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 127, 128,
igr2= 123, 124, 125,
&end
#
# 9 ILE QG2 10 PRO HB+ 5.5 (# 1484:20 Single)
&rst
ixpk= 1484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 123, 124, 125,
igr2= 143, 144,
&end
#
# 0 AMB 20-2:1485 0 AMB 20-1:1485 3.5 (# 1485:20 Double)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 117,1550,
igr2= 123, 124, 125,1556,1557,1558,
&end
#
# 104 ILE HA 104 ILE QG2 2.8 (# 1486:20 Unique)
&rst
ixpk= 1486, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1556,1557,1558,
&end
#
# 108 LYS HE+ 104 ILE QG2 5.5 (# 1487:20 Unique)
&rst
ixpk= 1487, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1622,1623,
igr2=1556,1557,1558,
&end
#
# 108 LYS HE- 104 ILE QG2 3.5 (# 1488:20 Unique)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1622,1623,
igr2=1556,1557,1558,
&end
#
# 0 AMB 20-2:1489 0 AMB 20-1:1489 2.8 (# 1489:20 Double)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 974, 975, 976,1554, 617, 618,
igr2= 123, 124, 125,1556,1557,1558,
&end
#
# 108 LYS HD- 104 ILE QG2 4.5 (# 1490:20 Unique)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1619,1620,
igr2=1556,1557,1558,
&end
#
# 0 AMB 20-2:1491 104 ILE QG2 3.5 (# 1491:20 Single)
&rst
ixpk= 1491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1619,1620,1560,1561,
igr2=1556,1557,1558,
&end
#
# 105 SER HN 104 ILE QG2 4.5 (# 1492:20 Unique)
&rst
ixpk= 1492, nxpk= 20, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1556,1557,1558,
&end
#
# 6 LEU HA 9 ILE QG2 5.5 (# 1495:20 Unique)
&rst
ixpk= 1495, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 123, 124, 125,
&end
#
# 57 TYR HD 25 ILE QD1 3.5 (# 1496:20 Unique)
&rst
ixpk= 1496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 870, 879,
igr2= 378, 379, 380,
&end
#
# 0 AMB 20-2:1497 25 ILE QD1 5.5 (# 1497:20 Single)
&rst
ixpk= 1497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1094, 935,
igr2= 378, 379, 380,
&end
#
# 25 ILE HN 25 ILE QD1 5.5 (# 1498:20 Unique)
&rst
ixpk= 1498, nxpk= 20, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 378, 379, 380,
&end
#
# 57 TYR HE 25 ILE QD1 4.5 (# 1499:20 Unique)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 872, 877,
igr2= 378, 379, 380,
&end
#
# 57 TYR HA 25 ILE QD1 3.5 (# 1501:20 Unique)
&rst
ixpk= 1501, nxpk= 20, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 378, 379, 380,
&end
#
# 23 VAL HB 25 ILE QD1 4.5 (# 1502:20 Unique)
&rst
ixpk= 1502, nxpk= 20, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 378, 379, 380,
&end
#
# 0 AMB 20-2:1503 25 ILE QD1 2.8 (# 1503:20 Single)
&rst
ixpk= 1503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 667, 668, 375, 376, 369,
igr2= 378, 379, 380,
&end
#
# 47 TYR HD 56 ILE QD1 5.5 (# 1504:20 Unique)
&rst
ixpk= 1504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 699, 708,
igr2= 856, 857, 858,
&end
#
# 23 VAL HN 56 ILE QD1 5.5 (# 1505:20 Unique)
&rst
ixpk= 1505, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 856, 857, 858,
&end
#
# 57 TYR HN 56 ILE QD1 7.0 (# 1506:20 Unique)
&rst
ixpk= 1506, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 856, 857, 858,
&end
#
# 56 ILE HN 56 ILE QD1 5.5 (# 1507:20 Unique)
&rst
ixpk= 1507, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 856, 857, 858,
&end
#
# 47 TYR HN 56 ILE QD1 3.5 (# 1508:20 Unique)
&rst
ixpk= 1508, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 856, 857, 858,
&end
#
# 22 TYR HA 56 ILE QD1 3.5 (# 1509:20 Unique)
&rst
ixpk= 1509, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 856, 857, 858,
&end
#
# 46 GLY HA+ 56 ILE QD1 3.5 (# 1510:20 Unique)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 686, 687,
igr2= 856, 857, 858,
&end
#
# 0 AMB 20-2:1511 56 ILE QD1 3.5 (# 1511:20 Single)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 847, 334,
igr2= 856, 857, 858,
&end
#
# 0 AMB 20-2:1512 56 ILE QD1 5.5 (# 1512:20 Single)
&rst
ixpk= 1512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 808, 809, 313, 314, 271, 272,
igr2= 856, 857, 858,
&end
#
# 9 ILE QD1 10 PRO HD- 7.0 (# 1513:20 Single)
&rst
ixpk= 1513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 130, 131, 132,
igr2= 137, 138,
&end
#
# 9 ILE QD1 6 LEU HG 4.5 (# 1514:20 Single)
&rst
ixpk= 1514, nxpk= 20, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 130, 131, 132,
&end
#
# 0 AMB 20-2:1515 0 AMB 20-1:1515 3.5 (# 1515:20 Double)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 117, 98, 831,
igr2= 130, 131, 132, 856, 857, 858,
&end
#
# 0 AMB 20-2:1516 9 ILE QD1 4.5 (# 1516:20 Single)
&rst
ixpk= 1516, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 119, 49,
igr2= 130, 131, 132,
&end
#
# 6 LEU HA 9 ILE QD1 3.5 (# 1517:20 Unique)
&rst
ixpk= 1517, nxpk= 20, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:1518 9 ILE QD1 5.5 (# 1518:20 Single)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1024,1026,1027,1047,
igr2= 130, 131, 132,
&end
#
# 9 ILE HB 9 ILE QD1 2.8 (# 1519:20 Unique)
&rst
ixpk= 1519, nxpk= 20, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 130, 131, 132,
&end
#
# 9 ILE HG1- 9 ILE QD1 2.8 (# 1520:20 Unique)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 127, 128,
igr2= 130, 131, 132,
&end
#
# 9 ILE QD1 41 LYS HE+ 5.5 (# 1521:20 Single)
&rst
ixpk= 1521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 130, 131, 132,
igr2= 601, 602,
&end
#
# 9 ILE QD1 6 LEU HG 4.5 (# 1522:20 Single)
&rst
ixpk= 1522, nxpk= 20, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 130, 131, 132,
&end
#
# 64 MET ME 9 ILE QD1 3.5 (# 1523:20 Unique)
&rst
ixpk= 1523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 974, 975, 976,
igr2= 130, 131, 132,
&end
#
# 106 THR HA 109 ILE QD1 3.5 (# 1524:20 Unique)
&rst
ixpk= 1524, nxpk= 20, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1644,1645,1646,
&end
#
# 109 ILE HN 109 ILE QD1 4.5 (# 1525:20 Unique)
&rst
ixpk= 1525, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1644,1645,1646,
&end
#
# 109 ILE HG1+ 109 ILE QD1 3.5 (# 1526:20 Unique)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1641,1642,
igr2=1644,1645,1646,
&end
#
# 109 ILE HB 109 ILE QD1 3.5 (# 1527:20 Unique)
&rst
ixpk= 1527, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1644,1645,1646,
&end
#
# 14 ILE HG1- 14 ILE QD1 4.5 (# 1528:20 Unique)
&rst
ixpk= 1528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 200, 201,
igr2= 203, 204, 205,
&end
#
# 22 TYR HB+ 79 ILE QD1 4.5 (# 1529:20 Unique)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 313, 314,
igr2=1180,1181,1182,
&end
#
# 22 TYR HB- 79 ILE QD1 4.5 (# 1530:20 Unique)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 313, 314,
igr2=1180,1181,1182,
&end
#
# 79 ILE HG1- 79 ILE QD1 3.5 (# 1531:20 Unique)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1177,1178,
igr2=1180,1181,1182,
&end
#
# 46 GLY HA+ 79 ILE QD1 5.5 (# 1532:20 Unique)
&rst
ixpk= 1532, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 686, 687,
igr2=1180,1181,1182,
&end
#
# 0 AMB 20-2:1533 79 ILE QD1 4.5 (# 1533:20 Single)
&rst
ixpk= 1533, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 200, 201, 168, 169, 170, 172, 173, 174,
igr2=1180,1181,1182,
&end
#
# 0 AMB 20-2:1534 79 ILE QD1 2.8 (# 1534:20 Single)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 196, 197, 198,1357,1358,1359,1361,1362,1363,
igr2=1180,1181,1182,
&end
#
# 45 ARG HE 43 ILE QD1 5.5 (# 1535:20 Unique)
&rst
ixpk= 1535, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 638, 639, 640,
&end
#
# 0 AMB 20-2:1536 43 ILE QD1 3.5 (# 1536:20 Single)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 629, 974, 975, 976,
igr2= 638, 639, 640,
&end
#
# 43 ILE HG1+ 43 ILE QD1 3.5 (# 1537:20 Unique)
&rst
ixpk= 1537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 635, 636,
igr2= 638, 639, 640,
&end
#
# 27 VAL HB 43 ILE QD1 5.5 (# 1538:20 Unique)
&rst
ixpk= 1538, nxpk= 20, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 638, 639, 640,
&end
#
# 0 AMB 20-2:1539 43 ILE QD1 5.5 (# 1539:20 Single)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 627, 662,
igr2= 638, 639, 640,
&end
#
# 0 AMB 20-2:1540 43 ILE QD1 3.5 (# 1540:20 Single)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 667, 668, 369,
igr2= 638, 639, 640,
&end
#
# 43 ILE HG1- 43 ILE QD1 3.5 (# 1541:20 Unique)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 635, 636,
igr2= 638, 639, 640,
&end
#
# 104 ILE HA 104 ILE QD1 4.5 (# 1542:20 Unique)
&rst
ixpk= 1542, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1563,1564,1565,
&end
#
# 0 AMB 20-2:1543 104 ILE QD1 4.5 (# 1543:20 Single)
&rst
ixpk= 1543, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 614, 615, 350, 351,1619,1620,
igr2=1563,1564,1565,
&end
#
# 104 ILE HG1- 104 ILE QD1 2.8 (# 1544:20 Unique)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1560,1561,
igr2=1563,1564,1565,
&end
#
# 0 AMB 20-2:1545 104 ILE QD1 3.5 (# 1545:20 Single)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1518,1519,1550,
igr2=1563,1564,1565,
&end
#
# 0 AMB 20-2:1546 104 ILE QD1 5.5 (# 1546:20 Single)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1508,1525,
igr2=1563,1564,1565,
&end
#
# 0 AMB 20-2:1547 104 ILE QD1 3.5 (# 1547:20 Single)
&rst
ixpk= 1547, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1513,1514,1513,1514,
igr2=1563,1564,1565,
&end
#
# 0 AMB 20-2:1548 104 ILE QD1 2.8 (# 1548:20 Single)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1510,1511,1554,
igr2=1563,1564,1565,
&end
#
# 101 GLN HB- 104 ILE QD1 3.5 (# 1549:20 Unique)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1510,1511,
igr2=1563,1564,1565,
&end
#
# 105 SER HN 104 ILE QD1 5.5 (# 1550:20 Unique)
&rst
ixpk= 1550, nxpk= 20, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1563,1564,1565,
&end
#
# 119 THR HN 118 VAL HA 2.8 (# 1551:20 Unique)
&rst
ixpk= 1551, nxpk= 20, iat=1803,1789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 VAL HN 118 VAL HA 4.5 (# 1552:20 Unique)
&rst
ixpk= 1552, nxpk= 20, iat=1787,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 VAL HB 118 VAL HA 4.5 (# 1553:20 Unique)
&rst
ixpk= 1553, nxpk= 20, iat=1791,1789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 VAL MGY 118 VAL HA 2.8 (# 1554:20 Unique)
&rst
ixpk= 1554, nxpk= 20, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1793,1794,1795,1797,1798,1799,
&end
#
# 43 ILE QG2 43 ILE HA 2.8 (# 1555:20 Unique)
&rst
ixpk= 1555, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 631, 632, 633,
&end
#
# 44 VAL HN 43 ILE HA 2.8 (# 1556:20 Unique)
&rst
ixpk= 1556, nxpk= 20, iat= 644, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 ASP HA 43 ILE HA 4.5 (# 1557:20 Unique)
&rst
ixpk= 1557, nxpk= 20, iat= 152, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 VAL MGY 43 ILE HA 5.5 (# 1558:20 Unique)
&rst
ixpk= 1558, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 43 ILE HN 43 ILE HA 4.5 (# 1559:20 Unique)
&rst
ixpk= 1559, nxpk= 20, iat= 625, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 GLU HN 71 CYS HA 2.8 (# 1560:20 Unique)
&rst
ixpk= 1560, nxpk= 20, iat=1077,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 CYS HN 71 CYS HA 4.5 (# 1561:20 Unique)
&rst
ixpk= 1561, nxpk= 20, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 VAL HA 71 CYS HA 2.8 (# 1562:20 Unique)
&rst
ixpk= 1562, nxpk= 20, iat= 410,1068, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 CYS HB2 71 CYS HA 3.5 (# 1563:20 Unique)
&rst
ixpk= 1563, nxpk= 20, iat=1070,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 CYS HB3 71 CYS HA 3.5 (# 1564:20 Unique)
&rst
ixpk= 1564, nxpk= 20, iat=1071,1068, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:1565 71 CYS HA 3.5 (# 1565:20 Single)
&rst
ixpk= 1565, nxpk= 20, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
&end
#
# 14 ILE HN 14 ILE HA 5.5 (# 1566:20 Unique)
&rst
ixpk= 1566, nxpk= 20, iat= 190, 192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLY HN 14 ILE HA 4.5 (# 1567:20 Unique)
&rst
ixpk= 1567, nxpk= 20, iat= 684, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 ILE HA 14 ILE HB 4.5 (# 1568:20 Unique)
&rst
ixpk= 1568, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1569 0 AMB 20-1:1569 2.8 (# 1569:20 Double)
&rst
ixpk= 1569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 78, 79, 80, 82, 83, 84, 196, 197, 198,
igr2= 579, 192,
&end
#
# 0 AMB 20-2:1570 0 AMB 20-1:1570 3.5 (# 1570:20 Double)
&rst
ixpk= 1570, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 200, 201, 595, 596, 414, 415, 416, 418, 419, 420,
391, 392,
igr2= 192, 579,
&end
#
# 41 LYS HN 40 SER HA 2.8 (# 1571:20 Unique)
&rst
ixpk= 1571, nxpk= 20, iat= 588, 579, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 SER HA 40 SER HN 4.5 (# 1572:20 Unique)
&rst
ixpk= 1572, nxpk= 20, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 SER HB3 40 SER HA 3.5 (# 1573:20 Unique)
&rst
ixpk= 1573, nxpk= 20, iat= 582, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 SER HB2 40 SER HA 3.5 (# 1574:20 Unique)
&rst
ixpk= 1574, nxpk= 20, iat= 581, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 SER HN 40 SER HA 5.5 (# 1575:20 Unique)
&rst
ixpk= 1575, nxpk= 20, iat= 441, 579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 TYR HN 91 TYR HA 4.5 (# 1577:20 Unique)
&rst
ixpk= 1577, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 TYR HB+ 91 TYR HA 4.5 (# 1578:20 Unique)
&rst
ixpk= 1578, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1371,1372,
&end
#
# 91 TYR HB- 91 TYR HA 4.5 (# 1579:20 Unique)
&rst
ixpk= 1579, nxpk= 20, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1371,1372,
&end
#
# 27 VAL HN 42 GLU HA 4.5 (# 1580:20 Unique)
&rst
ixpk= 1580, nxpk= 20, iat= 408, 612, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 GLU HB- 42 GLU HA 3.5 (# 1581:20 Unique)
&rst
ixpk= 1581, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 614, 615,
&end
#
# 43 ILE HN 42 GLU HA 2.8 (# 1582:20 Unique)
&rst
ixpk= 1582, nxpk= 20, iat= 625, 612, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:1583 42 GLU HA 3.5 (# 1583:20 Single)
&rst
ixpk= 1583, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 617, 618, 614, 615,
&end
#
# 42 GLU HA 24 LEU MDY 4.5 (# 1584:20 Single)
&rst
ixpk= 1584, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:1585 42 GLU HA 4.5 (# 1585:20 Single)
&rst
ixpk= 1585, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 631, 632, 633, 355, 356, 357, 359, 360, 361,1112,
1113,1114,1116,1117,1118,
&end
#
# 42 GLU HN 42 GLU HA 3.5 (# 1586:20 Unique)
&rst
ixpk= 1586, nxpk= 20, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 GLU HG+ 42 GLU HA 4.5 (# 1587:20 Unique)
&rst
ixpk= 1587, nxpk= 20, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 617, 618,
&end
#
# 42 GLU HA 26 ARG HG+ 5.5 (# 1588:20 Single)
&rst
ixpk= 1588, nxpk= 20, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 391, 392,
&end
#
# 90 VAL HN 120 TRP HA 4.5 (# 1589:20 Unique)
&rst
ixpk= 1589, nxpk= 20, iat=1351,1819, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 ILE HN 87 LYS HA 4.5 (# 1590:20 Unique)
&rst
ixpk= 1590, nxpk= 20, iat=1315,1295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 ALA HN 120 TRP HA 3.5 (# 1591:20 Unique)
&rst
ixpk= 1591, nxpk= 20, iat=1841,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 TRP HB+ 120 TRP HA 2.8 (# 1592:20 Unique)
&rst
ixpk= 1592, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1821,1822,
&end
#
# 90 VAL HB 120 TRP HA 3.5 (# 1593:20 Unique)
&rst
ixpk= 1593, nxpk= 20, iat=1355,1819, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 TYR HB+ 22 TYR HA 3.5 (# 1594:20 Unique)
&rst
ixpk= 1594, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 313, 314,
&end
#
# 46 GLY HA+ 22 TYR HA 3.5 (# 1595:20 Unique)
&rst
ixpk= 1595, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 686, 687,
&end
#
# 0 AMB 20-2:1596 22 TYR HA 3.5 (# 1596:20 Single)
&rst
ixpk= 1596, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 856, 857, 858, 336, 337, 338, 340, 341, 342, 336,
337, 338, 340, 341, 342,
&end
#
# 23 VAL HN 22 TYR HA 3.5 (# 1597:20 Unique)
&rst
ixpk= 1597, nxpk= 20, iat= 330, 311, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 HIS HB+ 89 HIS HA 3.5 (# 1598:20 Unique)
&rst
ixpk= 1598, nxpk= 20, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1338,1339,
&end
#
# 90 VAL HN 89 HIS HA 2.8 (# 1599:20 Unique)
&rst
ixpk= 1599, nxpk= 20, iat=1351,1336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 HIS HB- 89 HIS HA 4.5 (# 1600:20 Unique)
&rst
ixpk= 1600, nxpk= 20, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1338,1339,
&end
#
# 122 ASN HB+ 122 ASN HA 3.5 (# 1601:20 Unique)
&rst
ixpk= 1601, nxpk= 20, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1855,1856,
&end
#
# 122 ASN HB- 122 ASN HA 3.5 (# 1602:20 Unique)
&rst
ixpk= 1602, nxpk= 20, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1855,1856,
&end
#
# 122 ASN HN 122 ASN HA 5.5 (# 1603:20 Unique)
&rst
ixpk= 1603, nxpk= 20, iat=1851,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 ASP HN 122 ASN HA 4.5 (# 1604:20 Unique)
&rst
ixpk= 1604, nxpk= 20, iat=1865,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 TRP HE3 122 ASN HA 4.5 (# 1605:20 Unique)
&rst
ixpk= 1605, nxpk= 20, iat=1836,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ARG HD+ 45 ARG HA 5.5 (# 1606:20 Unique)
&rst
ixpk= 1606, nxpk= 20, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 670, 671,
&end
#
# 45 ARG HD- 45 ARG HA 4.5 (# 1607:20 Unique)
&rst
ixpk= 1607, nxpk= 20, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 670, 671,
&end
#
# 14 ILE QG2 45 ARG HA 5.5 (# 1608:20 Unique)
&rst
ixpk= 1608, nxpk= 20, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 196, 197, 198,
&end
#
# 46 GLY HN 45 ARG HA 3.5 (# 1609:20 Unique)
&rst
ixpk= 1609, nxpk= 20, iat= 684, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ARG HB3 45 ARG HA 4.5 (# 1610:20 Unique)
&rst
ixpk= 1610, nxpk= 20, iat= 665, 662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 GLY HA+ 99 PRO HD- 3.5 (# 1611:20 Unique)
&rst
ixpk= 1611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1477,1478,
igr2=1483,1484,
&end
#
# 99 PRO HG+ 99 PRO HD- 4.5 (# 1612:20 Unique)
&rst
ixpk= 1612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1486,1487,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:1613 99 PRO HD- 3.5 (# 1613:20 Single)
&rst
ixpk= 1613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1486,1487,1489,1490,
igr2=1483,1484,
&end
#
# 104 ILE HG1- 101 GLN HG+ 4.5 (# 1614:20 Unique)
&rst
ixpk= 1614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1560,1561,
igr2=1513,1514,
&end
#
# 100 ALA HA 24 LEU MDX 7.0 (# 1615:20 Unique)
&rst
ixpk= 1615, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 97 TYR HE 96 ALA MB 5.5 (# 1616:20 Unique)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1464,1469,
igr2=1448,1449,1450,
&end
#
# 12 VAL MGY 109 ILE HG1- 5.5 (# 1618:20 Unique)
&rst
ixpk= 1618, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 168, 169, 170, 172, 173, 174,
igr2=1641,1642,
&end
#
# 109 ILE QD1 109 ILE HG1- 3.5 (# 1619:20 Unique)
&rst
ixpk= 1619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1644,1645,1646,
igr2=1641,1642,
&end
#
# 0 AMB 20-2:1620 109 ILE HG1- 4.5 (# 1620:20 Single)
&rst
ixpk= 1620, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 168, 169, 170, 172, 173, 174,1637,1638,1639, 650,
651, 652, 654, 655, 656,
igr2=1641,1642,
&end
#
# 90 VAL MGX 105 SER HB2 4.5 (# 1623:20 Unique)
&rst
ixpk= 1623, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 53 HIS HA 53 HIS HB- 4.5 (# 1626:20 Unique)
&rst
ixpk= 1626, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 808, 809,
&end
#
# 89 HIS HA 89 HIS HB- 5.5 (# 1628:20 Unique)
&rst
ixpk= 1628, nxpk= 20, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1338,1339,
&end
#
# 80 SER HB+ 89 HIS HB- 5.5 (# 1630:20 Unique)
&rst
ixpk= 1630, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1190,1191,
igr2=1338,1339,
&end
#
# 80 SER HB- 89 HIS HB+ 7.0 (# 1631:20 Unique)
&rst
ixpk= 1631, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1190,1191,
igr2=1338,1339,
&end
#
# 64 MET HB2 64 MET HG+ 4.5 (# 1637:20 Unique)
&rst
ixpk= 1637, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 970, 971,
&end
#
# 46 GLY HA+ 22 TYR HB- 5.5 (# 1640:20 Unique)
&rst
ixpk= 1640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 686, 687,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:1642 24 LEU HB- 5.5 (# 1642:20 Single)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 353,1107,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:1643 24 LEU HB- 2.8 (# 1643:20 Single)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1500,1501,1502, 355, 356, 357, 359, 360, 361,
igr2= 350, 351,
&end
#
# 0 AMB 20-2:1644 0 AMB 20-1:1644 4.5 (# 1644:20 Double)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 353,1107,
igr2= 350, 351, 350, 351,
&end
#
# 109 ILE HG1+ 109 ILE HB 3.5 (# 1647:20 Unique)
&rst
ixpk= 1647, nxpk= 20, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1641,1642,
&end
#
# 0 AMB 20-2:1650 0 AMB 20-1:1650 3.5 (# 1650:20 Double)
&rst
ixpk= 1650, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 791, 800, 831,
igr2= 787, 788, 787, 788,
&end
#
# 52 TYR HN 52 TYR HB+ 5.5 (# 1651:20 Unique)
&rst
ixpk= 1651, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 787, 788,
&end
#
# 54 ALA HN 52 TYR HB+ 5.5 (# 1652:20 Unique)
&rst
ixpk= 1652, nxpk= 20, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 787, 788,
&end
#
# 0 AMB 20-2:1653 43 ILE HG1- 4.5 (# 1653:20 Single)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 369, 667, 668,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:1654 0 AMB 20-1:1654 4.5 (# 1654:20 Double)
&rst
ixpk= 1654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 369, 667, 668,
igr2= 635, 636, 635, 636,
&end
#
# 27 VAL MGY 43 ILE HG1+ 3.5 (# 1655:20 Unique)
&rst
ixpk= 1655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 414, 415, 416, 418, 419, 420,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:1656 43 ILE HG1- 3.5 (# 1656:20 Single)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 414, 415, 416, 418, 419, 420, 378, 379, 380,
igr2= 635, 636,
&end
#
# 0 AMB 20-2:1659 106 THR HB 4.5 (# 1659:20 Single)
&rst
ixpk= 1659, nxpk= 20, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1663,1664,1663,1664,
&end
#
# 106 THR HA 106 THR HB 4.5 (# 1660:20 Unique)
&rst
ixpk= 1660, nxpk= 20, iat=1582,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 ILE QD1 105 SER HB3 5.5 (# 1663:20 Unique)
&rst
ixpk= 1663, nxpk= 20, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1644,1645,1646,
&end
#
# 100 ALA MB 76 GLY HA- 5.5 (# 1665:20 Unique)
&rst
ixpk= 1665, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1500,1501,1502,
igr2=1131,1132,
&end
#
# 23 VAL HN 22 TYR HB+ 5.5 (# 1666:20 Unique)
&rst
ixpk= 1666, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 313, 314,
&end
#
# 78 ARG HA 21 LYS HA 4.5 (# 1667:20 Unique)
&rst
ixpk= 1667, nxpk= 20, iat=1145, 289, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 ARG HG- 21 LYS HA 5.5 (# 1668:20 Unique)
&rst
ixpk= 1668, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1150,1151,
&end
#
# 79 ILE QD1 79 ILE HG1+ 3.5 (# 1669:20 Unique)
&rst
ixpk= 1669, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1180,1181,1182,
igr2=1177,1178,
&end
#
# 0 AMB 20-2:1670 0 AMB 20-1:1670 4.5 (# 1670:20 Double)
&rst
ixpk= 1670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1=1357,1358,1359,1361,1362,1363,1171,
igr2=1177,1178,1177,1178,
&end
#
# 90 VAL MGY 79 ILE HG1+ 4.5 (# 1671:20 Unique)
&rst
ixpk= 1671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1357,1358,1359,1361,1362,1363,
igr2=1177,1178,
&end
#
# 0 AMB 20-2:1672 79 ILE HB 3.5 (# 1672:20 Single)
&rst
ixpk= 1672, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1173,1174,1175,1177,1178,
&end
#
# 79 ILE QD1 79 ILE HB 4.5 (# 1673:20 Unique)
&rst
ixpk= 1673, nxpk= 20, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1180,1181,1182,
&end
#
# 0 AMB 20-2:1674 45 ARG HG- 5.5 (# 1674:20 Single)
&rst
ixpk= 1674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 923, 924, 925, 927, 928, 929, 849, 850, 851,
igr2= 667, 668,
&end
#
# 100 ALA HA 75 GLY HA+ 4.5 (# 1677:20 Unique)
&rst
ixpk= 1677, nxpk= 20, iat=1498, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1124,1125,
&end
#
# 0 AMB 20-2:1679 0 AMB 20-1:1679 5.5 (# 1679:20 Double)
&rst
ixpk= 1679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
igr1= 598, 599,1686,1687,1614,1616,1617,
igr2= 154, 155, 154, 155, 154, 155, 154, 155,
&end
#
# 9 ILE HA 10 PRO HD- 2.8 (# 1681:20 Unique)
&rst
ixpk= 1681, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 137, 138,
&end
#
# 0 AMB 20-2:1682 10 PRO HD- 5.5 (# 1682:20 Single)
&rst
ixpk= 1682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 117, 98,
igr2= 137, 138,
&end
#
# 0 AMB 20-2:1683 0 AMB 20-1:1683 2.8 (# 1683:20 Double)
&rst
ixpk= 1683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 762, 763, 764, 856, 857, 858,
igr2= 853, 854, 853, 854,
&end
#
# 0 AMB 20-2:1687 0 AMB 20-1:1687 2.8 (# 1687:20 Double)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342, 378, 379, 380,
igr2= 375, 376, 375, 376, 375, 376,
&end
#
# 60 VAL HN 60 VAL HA 3.5 (# 1692:20 Unique)
&rst
ixpk= 1692, nxpk= 20, iat= 917, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 GLY HN 61 SER HB+ 5.5 (# 1696:20 Unique)
&rst
ixpk= 1696, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938,
&end
#
# 62 GLY HN 61 SER HB- 5.5 (# 1697:20 Unique)
&rst
ixpk= 1697, nxpk= 20, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938,
&end
#
# 75 GLY HA+ 100 ALA HA 3.5 (# 1698:20 Unique)
&rst
ixpk= 1698, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1124,1125,
&end
#
# 120 TRP HD1 103 ALA HA 5.5 (# 1699:20 Unique)
&rst
ixpk= 1699, nxpk= 20, iat=1825,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HA 41 LYS HG+ 7.0 (# 1700:20 Unique)
&rst
ixpk= 1700, nxpk= 20, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 595, 596,
&end
#
# 74 LEU HB- 74 LEU MDX 2.8 (# 1703:20 Double)
&rst
ixpk= 1703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1107,1108,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 0 AMB 20-2:1704 0 AMB 20-1:1704 3.5 (# 1704:20 Double)
&rst
ixpk= 1704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 598, 599,1110, 350, 351,
igr2= 74,1107,
&end
#
# 74 LEU HG 74 LEU HB3 3.5 (# 1708:20 Unique)
&rst
ixpk= 1708, nxpk= 20, iat=1110,1108, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 ILE HG1- 56 ILE HB 4.5 (# 1710:20 Unique)
&rst
ixpk= 1710, nxpk= 20, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 853, 854,
&end
#
# 0 AMB 20-2:1714 0 AMB 20-1:1714 2.8 (# 1714:20 Double)
&rst
ixpk= 1714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 520, 454,
igr2= 529, 530, 463, 464,
&end
#
# 36 PRO HD- 36 PRO HB+ 4.5 (# 1715:20 Double)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 529, 530,
igr2= 535, 536,
&end
#
# 35 ALA MB 0 AMB 20-1:1716 2.8 (# 1716:20 Single)
&rst
ixpk= 1716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 522, 523, 524,
igr2= 529, 530, 463, 464,
&end
#
# 43 ILE HB 43 ILE HA 2.8 (# 1717:20 Unique)
&rst
ixpk= 1717, nxpk= 20, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 106 THR HN 105 SER HA 5.5 (# 1718:20 Unique)
&rst
ixpk= 1718, nxpk= 20, iat=1580,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 SER HN 105 SER HA 4.5 (# 1719:20 Unique)
&rst
ixpk= 1719, nxpk= 20, iat=1569,1571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 108 LYS HN 105 SER HA 5.5 (# 1720:20 Unique)
&rst
ixpk= 1720, nxpk= 20, iat=1609,1571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 SER HB2 105 SER HA 3.5 (# 1722:20 Unique)
&rst
ixpk= 1722, nxpk= 20, iat=1573,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 SER HB3 105 SER HA 3.5 (# 1723:20 Unique)
&rst
ixpk= 1723, nxpk= 20, iat=1574,1571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 VAL MGY 105 SER HA 2.8 (# 1724:20 Unique)
&rst
ixpk= 1724, nxpk= 20, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 0 AMB 20-2:1725 105 SER HA 4.5 (# 1725:20 Single)
&rst
ixpk= 1725, nxpk= 20, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 355, 356, 357, 359, 360, 361, 168, 169, 170, 172,
173, 174,
&end
#
# 44 VAL MGX 105 SER HA 3.5 (# 1726:20 Unique)
&rst
ixpk= 1726, nxpk= 20, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 57 TYR HE 71 CYS HB2 4.5 (# 1730:20 Unique)
&rst
ixpk= 1730, nxpk= 20, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 872, 877,
&end
#
# 99 PRO HB+ 99 PRO HG+ 3.5 (# 1732:20 Unique)
&rst
ixpk= 1732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1489,1490,
igr2=1486,1487,
&end
#
# 99 PRO HB+ 99 PRO HG- 5.5 (# 1735:20 Unique)
&rst
ixpk= 1735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1489,1490,
igr2=1486,1487,
&end
#
# 98 GLY HA- 99 PRO HD+ 3.5 (# 1738:20 Unique)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1477,1478,
igr2=1483,1484,
&end
#
# 98 GLY HA- 99 PRO HD- 4.5 (# 1739:20 Unique)
&rst
ixpk= 1739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1477,1478,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:1741 14 ILE QD1 3.5 (# 1741:20 Single)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 200, 201, 168, 169, 170, 172, 173, 174,
igr2= 203, 204, 205,
&end
#
# 109 ILE QG2 14 ILE QD1 2.8 (# 1742:20 Unique)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1637,1638,1639,
igr2= 203, 204, 205,
&end
#
# 9 ILE HG1+ 9 ILE QD1 2.8 (# 1743:20 Unique)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 127, 128,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:1746 0 AMB 20-1:1746 2.8 (# 1746:20 Double)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1563,1564,1565,1556,1557,1558,
igr2=1560,1561,1560,1561,
&end
#
# 64 MET HB2 64 MET HG- 3.5 (# 1747:20 Unique)
&rst
ixpk= 1747, nxpk= 20, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 970, 971,
&end
#
# 28 HIS HA 28 HIS HB2 4.5 (# 1748:20 Unique)
&rst
ixpk= 1748, nxpk= 20, iat= 426, 428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ARG HA 42 GLU HA 3.5 (# 1751:20 Unique)
&rst
ixpk= 1751, nxpk= 20, iat= 386, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 THR HB 106 THR HA 3.5 (# 1753:20 Unique)
&rst
ixpk= 1753, nxpk= 20, iat=1584,1582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 PRO HD- 36 PRO HG- 3.5 (# 1755:20 Double)
&rst
ixpk= 1755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 529, 530,
igr2= 532, 533,
&end
#
# 0 AMB 20-2:1757 0 AMB 20-1:1757 2.8 (# 1757:20 Double)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1081,1082, 140, 141,
igr2= 389, 143, 144,
&end
#
# 71 CYS HN 70 ASP HB- 4.5 (# 1758:20 Unique)
&rst
ixpk= 1758, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1058,1059,
&end
#
# 28 HIS HB2 70 ASP HB- 4.5 (# 1760:20 Unique)
&rst
ixpk= 1760, nxpk= 20, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1058,1059,
&end
#
# 28 HIS HB3 70 ASP HB- 5.5 (# 1761:20 Unique)
&rst
ixpk= 1761, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1058,1059,
&end
#
# 28 HIS HB3 70 ASP HB+ 5.5 (# 1762:20 Unique)
&rst
ixpk= 1762, nxpk= 20, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1058,1059,
&end
#
# 28 HIS HB2 70 ASP HB+ 3.5 (# 1763:20 Unique)
&rst
ixpk= 1763, nxpk= 20, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1058,1059,
&end
#
# 42 GLU HB- 42 GLU HG+ 2.8 (# 1764:20 Unique)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 614, 615,
igr2= 617, 618,
&end
#
# 42 GLU HB- 42 GLU HG- 2.8 (# 1767:20 Unique)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 614, 615,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:1768 42 GLU HG- 2.8 (# 1768:20 Single)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,1556,1557,1558,
igr2= 617, 618,
&end
#
# 0 AMB 20-2:1773 0 AMB 20-1:1773 2.8 (# 1773:20 Double)
&rst
ixpk= 1773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1112,1113,1114,1116,1117,1118,1147,1148, 355, 356,
357, 359, 360, 361,
igr2= 353,1150,1151,
&end
#
# 28 HIS HA 40 SER HA 3.5 (# 1775:20 Unique)
&rst
ixpk= 1775, nxpk= 20, iat= 426, 579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 VAL HA 44 VAL HB 5.5 (# 1779:20 Unique)
&rst
ixpk= 1779, nxpk= 20, iat= 646, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL MGY 44 VAL HB 5.5 (# 1780:20 Unique)
&rst
ixpk= 1780, nxpk= 20, iat= -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 168, 169, 170, 172, 173, 174,
&end
#
# 101 GLN HG+ 101 GLN HB+ 2.8 (# 1781:20 Unique)
&rst
ixpk= 1781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1513,1514,
igr2=1510,1511,
&end
#
# 101 GLN HG+ 101 GLN HB- 2.8 (# 1782:20 Unique)
&rst
ixpk= 1782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1513,1514,
igr2=1510,1511,
&end
#
# 104 ILE HG1- 101 GLN HB+ 4.5 (# 1785:20 Unique)
&rst
ixpk= 1785, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1560,1561,
igr2=1510,1511,
&end
#
# 104 ILE HG1- 101 GLN HB- 4.5 (# 1786:20 Unique)
&rst
ixpk= 1786, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1560,1561,
igr2=1510,1511,
&end
#
# 87 LYS HD- 87 LYS HG- 3.5 (# 1792:20 Unique)
&rst
ixpk= 1792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1303,1304,
igr2=1300,1301,
&end
#
# 109 ILE QD1 109 ILE QG2 3.5 (# 1798:20 Unique)
&rst
ixpk= 1798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1644,1645,1646,
igr2=1637,1638,1639,
&end
#
# 0 AMB 20-2:1799 109 ILE QG2 2.8 (# 1799:20 Single)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1793,1794,1795,1797,1798,1799, 168, 169, 170, 172,
173, 174,
igr2=1637,1638,1639,
&end
#
# 0 AMB 20-2:1800 79 ILE QD1 2.8 (# 1800:20 Single)
&rst
ixpk= 1800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1173,1174,1175,1177,1178,
igr2=1180,1181,1182,
&end
#
# 0 AMB 20-2:1801 79 ILE QD1 2.8 (# 1801:20 Single)
&rst
ixpk= 1801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 203, 204, 205,1357,1358,1359,1361,1362,1363,
igr2=1180,1181,1182,
&end
#
# 107 GLU HG+ 107 GLU HB+ 2.8 (# 1803:20 Unique)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1601,1602,
igr2=1598,1599,
&end
#
# 8 LEU HB- 8 LEU MDY 2.8 (# 1804:20 Unique)
&rst
ixpk= 1804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 102, 103,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 110 LYS HG+ 110 LYS HB- 3.5 (# 1805:20 Unique)
&rst
ixpk= 1805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1657,1658,
igr2=1654,1655,
&end
#
# 0 AMB 20-2:1807 110 LYS HB- 2.8 (# 1807:20 Single)
&rst
ixpk= 1807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1657,1658,1660,1661,
igr2=1654,1655,
&end
#
# 108 LYS HB2 108 LYS HG- 3.5 (# 1809:20 Unique)
&rst
ixpk= 1809, nxpk= 20, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1616,1617,
&end
#
# 0 AMB 20-2:1811 101 GLN HB- 5.5 (# 1811:20 Single)
&rst
ixpk= 1811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1518,1519,1550,
igr2=1510,1511,
&end
#
# 102 HIS HN 101 GLN HB- 7.0 (# 1812:20 Unique)
&rst
ixpk= 1812, nxpk= 20, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1510,1511,
&end
#
# 80 SER HN 80 SER HB- 4.5 (# 1814:20 Unique)
&rst
ixpk= 1814, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1190,1191,
&end
#
# 29 SER HB+ 29 SER HA 3.5 (# 1815:20 Unique)
&rst
ixpk= 1815, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 445, 446,
&end
#
# 0 AMB 20-2:1816 109 ILE QD1 3.5 (# 1816:20 Single)
&rst
ixpk= 1816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,
igr2=1644,1645,1646,
&end
#
# 79 ILE QD1 109 ILE QD1 3.5 (# 1817:20 Unique)
&rst
ixpk= 1817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1180,1181,1182,
igr2=1644,1645,1646,
&end
#
# 0 AMB 20-2:1818 43 ILE QD1 2.8 (# 1818:20 Single)
&rst
ixpk= 1818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 631, 632, 633, 123, 124, 125,
igr2= 638, 639, 640,
&end
#
# 0 AMB 20-2:1819 43 ILE QD1 2.8 (# 1819:20 Single)
&rst
ixpk= 1819, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 414, 415, 416, 418, 419, 420, 371, 372, 373,
igr2= 638, 639, 640,
&end
#
# 0 AMB 20-2:1820 43 ILE QD1 7.0 (# 1820:20 Single)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 365, 408,
igr2= 638, 639, 640,
&end
#
# 43 ILE HN 43 ILE QD1 5.5 (# 1821:20 Unique)
&rst
ixpk= 1821, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 638, 639, 640,
&end
#
# 106 THR MG2 107 GLU HA 5.5 (# 1822:20 Unique)
&rst
ixpk= 1822, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1586,1587,1588,
&end
#
# 41 LYS HG+ 41 LYS HD+ 4.5 (# 1826:20 Unique)
&rst
ixpk= 1826, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 595, 596,
igr2= 598, 599,
&end
#
# 41 LYS HG+ 41 LYS HD- 4.5 (# 1827:20 Unique)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 595, 596,
igr2= 598, 599,
&end
#
# 0 AMB 20-2:1828 0 AMB 20-1:1828 2.8 (# 1828:20 Double)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 592, 593, 592, 593,
igr2= 598, 599, 598, 599,
&end
#
# 42 GLU HG+ 42 GLU HB- 3.5 (# 1830:20 Unique)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 617, 618,
igr2= 614, 615,
&end
#
# 68 GLY HN 67 GLN HB2 5.5 (# 1831:20 Unique)
&rst
ixpk= 1831, nxpk= 20, iat=1036,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL MGY 112 LYS HD- 5.5 (# 1833:20 Unique)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 168, 169, 170, 172, 173, 174,
igr2=1692,1693,
&end
#
# 0 AMB 20-2:1834 104 ILE HG1- 3.5 (# 1834:20 Single)
&rst
ixpk= 1834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1554,1510,1511,
igr2=1560,1561,
&end
#
# 0 AMB 20-2:1836 104 ILE HG1- 4.5 (# 1836:20 Single)
&rst
ixpk= 1836, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1544,1545,1546, 355, 356, 357, 359, 360, 361,
igr2=1560,1561,
&end
#
# 0 AMB 20-2:1837 0 AMB 20-1:1837 4.5 (# 1837:20 Double)
&rst
ixpk= 1837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1544,1545,1546, 355, 356, 357, 359, 360, 361,
igr2=1560,1561,1560,1561,
&end
#
# 0 AMB 20-2:1840 110 LYS HG- 3.5 (# 1840:20 Single)
&rst
ixpk= 1840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1654,1655,1660,1661,
igr2=1657,1658,
&end
#
# 0 AMB 20-2:1841 0 AMB 20-1:1841 3.5 (# 1841:20 Double)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1654,1655,1660,1661,
igr2=1657,1658,1657,1658,
&end
#
# 63 ASP HA 66 LYS HG- 5.5 (# 1842:20 Unique)
&rst
ixpk= 1842, nxpk= 20, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1004,1005,
&end
#
# 66 LYS HB+ 66 LYS HG- 2.8 (# 1843:20 Unique)
&rst
ixpk= 1843, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1001,1002,
igr2=1004,1005,
&end
#
# 66 LYS HB+ 66 LYS HG+ 2.8 (# 1844:20 Unique)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1001,1002,
igr2=1004,1005,
&end
#
# 110 LYS HA 110 LYS HG+ 5.5 (# 1846:20 Unique)
&rst
ixpk= 1846, nxpk= 20, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1657,1658,
&end
#
# 79 ILE QD1 90 VAL MGY 4.5 (# 1848:20 Unique)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1180,1181,1182,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 91 TYR HN 90 VAL MGY 5.5 (# 1849:20 Unique)
&rst
ixpk= 1849, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 79 ILE HA 90 VAL MGY 5.5 (# 1850:20 Unique)
&rst
ixpk= 1850, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 20-2:1851 90 VAL MGY 5.5 (# 1851:20 Single)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1573,1525,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 79 ILE QD1 79 ILE QG2 2.8 (# 1852:20 Unique)
&rst
ixpk= 1852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1180,1181,1182,
igr2=1173,1174,1175,
&end
#
# 0 AMB 20-2:1853 79 ILE QG2 2.8 (# 1853:20 Single)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1357,1358,1359,1361,1362,1363,1171,1321,1322,1323,
igr2=1173,1174,1175,
&end
#
# 88 ILE HA 79 ILE QG2 5.5 (# 1854:20 Unique)
&rst
ixpk= 1854, nxpk= 20, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1173,1174,1175,
&end
#
# 87 LYS HA 87 LYS HG+ 5.5 (# 1856:20 Unique)
&rst
ixpk= 1856, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1300,1301,
&end
#
# 92 GLY HA- 125 TYR HA 4.5 (# 1857:20 Unique)
&rst
ixpk= 1857, nxpk= 20, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1390,1391,
&end
#
# 29 SER HB+ 29 SER HA 2.8 (# 1858:20 Unique)
&rst
ixpk= 1858, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 445, 446,
&end
#
# 104 ILE QG2 104 ILE HA 2.8 (# 1860:20 Unique)
&rst
ixpk= 1860, nxpk= 20, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1556,1557,1558,
&end
#
# 104 ILE HG1+ 104 ILE HA 3.5 (# 1861:20 Unique)
&rst
ixpk= 1861, nxpk= 20, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1560,1561,
&end
#
# 104 ILE HG1- 104 ILE HA 4.5 (# 1862:20 Unique)
&rst
ixpk= 1862, nxpk= 20, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1560,1561,
&end
#
# 107 GLU HB+ 104 ILE HA 4.5 (# 1863:20 Unique)
&rst
ixpk= 1863, nxpk= 20, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1598,1599,
&end
#
# 104 ILE HB 104 ILE HA 4.5 (# 1864:20 Unique)
&rst
ixpk= 1864, nxpk= 20, iat=1554,1552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 ILE HN 104 ILE HA 4.5 (# 1866:20 Unique)
&rst
ixpk= 1866, nxpk= 20, iat=1550,1552, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ASP HN 11 ASP HB- 5.5 (# 1868:20 Unique)
&rst
ixpk= 1868, nxpk= 20, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 154, 155,
&end
#
# 24 LEU MDY 42 GLU HB+ 5.5 (# 1870:20 Unique)
&rst
ixpk= 1870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 355, 356, 357, 359, 360, 361,
igr2= 614, 615,
&end
#
# 107 GLU HB+ 107 GLU HG+ 2.8 (# 1872:20 Unique)
&rst
ixpk= 1872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1598,1599,
igr2=1601,1602,
&end
#
# 38 ALA MB 39 GLU HA 5.5 (# 1873:20 Unique)
&rst
ixpk= 1873, nxpk= 20, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 556, 557, 558,
&end
#
# 0 AMB 20-2:1874 74 LEU HG 3.5 (# 1874:20 Single)
&rst
ixpk= 1874, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1108, 389,
&end
#
# 74 LEU HB2 74 LEU HG 5.5 (# 1875:20 Unique)
&rst
ixpk= 1875, nxpk= 20, iat=1107,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU MDX 74 LEU HG 4.5 (# 1876:20 Unique)
&rst
ixpk= 1876, nxpk= 20, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 10 PRO HD+ 10 PRO HB- 4.5 (# 1877:20 Unique)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 137, 138,
igr2= 143, 144,
&end
#
# 40 SER HB2 39 GLU HB+ 5.5 (# 1879:20 Unique)
&rst
ixpk= 1879, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 566, 567,
&end
#
# 10 PRO HG+ 10 PRO HB- 2.8 (# 1880:20 Unique)
&rst
ixpk= 1880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 140, 141,
igr2= 143, 144,
&end
#
# 65 GLN HB3 65 GLN HG- 2.8 (# 1882:20 Unique)
&rst
ixpk= 1882, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 987, 988,
&end
#
# 65 GLN HB3 65 GLN HG+ 2.8 (# 1883:20 Unique)
&rst
ixpk= 1883, nxpk= 20, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 987, 988,
&end
#
# 31 PRO HB+ 5 ASP HA 4.5 (# 1884:20 Unique)
&rst
ixpk= 1884, nxpk= 20, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 469, 470,
&end
#
# 5 ASP HA 4 ALA HA 5.5 (# 1885:20 Unique)
&rst
ixpk= 1885, nxpk= 20, iat= 59, 49, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 GLU HG- 107 GLU HB+ 2.8 (# 1886:20 Unique)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1601,1602,
igr2=1598,1599,
&end
#
# 0 AMB 20-2:1887 0 AMB 20-1:1887 3.5 (# 1887:20 Double)
&rst
ixpk= 1887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1654,1655,1554,
igr2=1598,1599,1598,1599,
&end
#
# 108 LYS HB2 107 GLU HB+ 4.5 (# 1888:20 Unique)
&rst
ixpk= 1888, nxpk= 20, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1598,1599,
&end
#
# 0 AMB 20-2:1889 0 AMB 20-1:1889 4.5 (# 1889:20 Double)
&rst
ixpk= 1889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.00, r4= 9.50,
igr1=1616,1617,1660,1661,1619,1620,1657,1658,
igr2=1598,1599,1598,1599,1598,1599,1598,1599,
&end
#
# 0 AMB 20-2:1891 95 MET HB- 2.8 (# 1891:20 Single)
&rst
ixpk= 1891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1434,1435,1434,1435,
igr2=1431,1432,
&end
#
# 101 GLN HB+ 101 GLN HG+ 2.8 (# 1893:20 Unique)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1510,1511,
igr2=1513,1514,
&end
#
# 101 GLN HB- 101 GLN HG+ 2.8 (# 1894:20 Unique)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1510,1511,
igr2=1513,1514,
&end
#
# 101 GLN HB- 101 GLN HG- 2.8 (# 1895:20 Unique)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1510,1511,
igr2=1513,1514,
&end
#
# 101 GLN HB+ 101 GLN HG- 2.8 (# 1896:20 Unique)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1510,1511,
igr2=1513,1514,
&end
#
# 0 AMB 20-2:1899 72 GLU HB- 2.8 (# 1899:20 Single)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1084,1085,1084,1085,
igr2=1081,1082,
&end
#
# 72 GLU HG+ 72 GLU HB+ 2.8 (# 1900:20 Unique)
&rst
ixpk= 1900, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1084,1085,
igr2=1081,1082,
&end
#
# 0 AMB 20-2:1901 0 AMB 20-1:1901 3.5 (# 1901:20 Double)
&rst
ixpk= 1901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1434,1435,1434,1435,
igr2=1431,1432,1431,1432,
&end
#
# 31 PRO HA 31 PRO HD- 4.5 (# 1904:20 Double)
&rst
ixpk= 1904, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 463, 464,
&end
#
# 55 ASP HA 58 ASP HB- 5.5 (# 1905:20 Unique)
&rst
ixpk= 1905, nxpk= 20, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 887, 888,
&end
#
# 83 SER HB+ 83 SER HA 2.8 (# 1911:20 Unique)
&rst
ixpk= 1911, nxpk= 20, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1235,1236,
&end
#
# 0 AMB 20-2:1912 59 LYS HA 5.5 (# 1912:20 Single)
&rst
ixpk= 1912, nxpk= 20, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 946, 947, 919, 845,
&end
#
# 41 LYS HG+ 6 LEU MDY 4.5 (# 1913:20 Unique)
&rst
ixpk= 1913, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 595, 596,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDY 27 VAL MGY 2.8 (# 1914:20 Single)
&rst
ixpk= 1914, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 74 LEU HG 74 LEU HA 4.5 (# 1915:20 Unique)
&rst
ixpk= 1915, nxpk= 20, iat=1110,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 GLY HN 74 LEU HA 4.5 (# 1916:20 Unique)
&rst
ixpk= 1916, nxpk= 20, iat=1122,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 LEU MDX 6 LEU HG 3.5 (# 1918:20 Unique)
&rst
ixpk= 1918, nxpk= 20, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU HG 6 LEU HB3 4.5 (# 1919:20 Double)
&rst
ixpk= 1919, nxpk= 20, iat= 76, 74, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:1922 0 AMB 20-1:1922 3.5 (# 1922:20 Double)
&rst
ixpk= 1922, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 569, 570, 569, 570,
igr2= 566, 567, 566, 567,
&end
#
# 0 AMB 20-2:1924 0 AMB 20-1:1924 2.8 (# 1924:20 Double)
&rst
ixpk= 1924, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1007,1008,1004,1005,
igr2=1001,1002,1001,1002,
&end
#
# 66 LYS HG- 66 LYS HB+ 2.8 (# 1925:20 Unique)
&rst
ixpk= 1925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1004,1005,
igr2=1001,1002,
&end
#
# 109 ILE QD1 14 ILE QG2 5.5 (# 1926:20 Unique)
&rst
ixpk= 1926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1644,1645,1646,
igr2= 196, 197, 198,
&end
#
# 0 AMB 20-2:1927 14 ILE QG2 5.5 (# 1927:20 Single)
&rst
ixpk= 1927, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1173,1174,1175,1177,1178,
igr2= 196, 197, 198,
&end
#
# 0 AMB 20-2:1928 14 ILE QG2 3.5 (# 1928:20 Single)
&rst
ixpk= 1928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 200, 201, 168, 169, 170, 172, 173, 174,
igr2= 196, 197, 198,
&end
#
# 0 AMB 20-2:1929 0 AMB 20-1:1929 5.5 (# 1929:20 Double)
&rst
ixpk= 1929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 845, 919,
igr2= 902, 903, 902, 903,
&end
#
# 0 AMB 20-2:1930 0 AMB 20-1:1930 2.8 (# 1930:20 Double)
&rst
ixpk= 1930, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 905, 906, 905, 906,
igr2= 902, 903, 902, 903,
&end
#
# 7 ALA MB 8 LEU MDX 4.5 (# 1932:20 Unique)
&rst
ixpk= 1932, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 92, 93, 94,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:1935 0 AMB 20-1:1935 2.8 (# 1935:20 Double)
&rst
ixpk= 1935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 353,1107,
igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 0 AMB 20-2:1936 24 LEU MDX 2.8 (# 1936:20 Single)
&rst
ixpk= 1936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 350, 351, 650, 651, 652, 654, 655, 656,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:1937 0 AMB 20-1:1937 4.5 (# 1937:20 Double)
&rst
ixpk= 1937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 635, 636,1096,1097,
igr2= 355, 356, 357, 359, 360, 361,1112,1113,1114,1116,
1117,1118,
&end
#
# 41 LYS HG+ 6 LEU MDX 3.5 (# 1938:20 Unique)
&rst
ixpk= 1938, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 595, 596,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:1939 99 PRO HB- 4.5 (# 1939:20 Single)
&rst
ixpk= 1939, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1513,1514,1513,1514,
igr2=1489,1490,
&end
#
# 91 TYR HB+ 121 ALA MB 5.5 (# 1940:20 Unique)
&rst
ixpk= 1940, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1371,1372,
igr2=1845,1846,1847,
&end
#
# 58 ASP HN 57 TYR HA 5.5 (# 1941:20 Unique)
&rst
ixpk= 1941, nxpk= 20, iat= 883, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 SER HA 83 SER HB+ 2.8 (# 1942:20 Unique)
&rst
ixpk= 1942, nxpk= 20, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1235,1236,
&end
#
# 0 AMB 20-2:1943 0 AMB 20-1:1943 4.5 (# 1943:20 Double)
&rst
ixpk= 1943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1216,1094,
igr2=1235,1236, 864,
&end
#
# 0 AMB 20-2:1945 90 VAL MGX 3.5 (# 1945:20 Single)
&rst
ixpk= 1945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1177,1178,1644,1645,1646,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 79 ILE QD1 90 VAL MGX 4.5 (# 1946:20 Unique)
&rst
ixpk= 1946, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1180,1181,1182,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 56 ILE HN 54 ALA MB 5.5 (# 1951:20 Unique)
&rst
ixpk= 1951, nxpk= 20, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 825, 826, 827,
&end
#
# 26 ARG HB2 74 LEU MDY 4.5 (# 1952:20 Unique)
&rst
ixpk= 1952, nxpk= 20, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 66 LYS HB+ 66 LYS HD+ 2.8 (# 1954:20 Unique)
&rst
ixpk= 1954, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1001,1002,
igr2=1007,1008,
&end
#
# 66 LYS HG- 66 LYS HD+ 2.8 (# 1955:20 Unique)
&rst
ixpk= 1955, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1004,1005,
igr2=1007,1008,
&end
#
# 0 AMB 20-2:1957 0 AMB 20-1:1957 3.5 (# 1957:20 Double)
&rst
ixpk= 1957, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 899, 900, 899, 900, 899, 900,
igr2= 905, 906, 905, 906, 905, 906,
&end
#
# 0 AMB 20-2:1958 0 AMB 20-1:1958 4.5 (# 1958:20 Double)
&rst
ixpk= 1958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 897,1611,
igr2= 905, 906,1692,1693,
&end
#
# 49 TRP HZ2 0 AMB 20-1:1959 5.5 (# 1959:20 Single)
&rst
ixpk= 1959, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 853, 854, 905, 906, 905, 906,
&end
#
# 51 GLU HG+ 51 GLU HB+ 2.8 (# 1961:20 Unique)
&rst
ixpk= 1961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 775, 776,
igr2= 772, 773,
&end
#
# 117 GLU HG+ 117 GLU HB- 3.5 (# 1962:20 Unique)
&rst
ixpk= 1962, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1779,1780,
igr2=1776,1777,
&end
#
# 117 GLU HG+ 117 GLU HB+ 2.8 (# 1963:20 Unique)
&rst
ixpk= 1963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1779,1780,
igr2=1776,1777,
&end
#
# 0 AMB 20-2:1965 25 ILE QG2 4.5 (# 1965:20 Single)
&rst
ixpk= 1965, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 635, 636, 391, 392,
igr2= 371, 372, 373,
&end
#
# 0 AMB 20-2:1966 25 ILE QG2 4.5 (# 1966:20 Single)
&rst
ixpk= 1966, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 923, 924, 925, 927, 928, 929, 635, 636,1096,1097,
igr2= 371, 372, 373,
&end
#
# 43 ILE QD1 25 ILE QG2 4.5 (# 1967:20 Unique)
&rst
ixpk= 1967, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 638, 639, 640,
igr2= 371, 372, 373,
&end
#
# 26 ARG HA 25 ILE QG2 7.0 (# 1968:20 Unique)
&rst
ixpk= 1968, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 371, 372, 373,
&end
#
# 76 GLY HN 100 ALA MB 5.5 (# 1969:20 Unique)
&rst
ixpk= 1969, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1500,1501,1502,
&end
#
# 0 AMB 20-2:1970 100 ALA MB 5.5 (# 1970:20 Single)
&rst
ixpk= 1970, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 353,1107,
igr2=1500,1501,1502,
&end
#
# 24 LEU HB- 100 ALA MB 3.5 (# 1971:20 Unique)
&rst
ixpk= 1971, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 350, 351,
igr2=1500,1501,1502,
&end
#
# 0 AMB 20-2:1972 43 ILE QG2 3.5 (# 1972:20 Single)
&rst
ixpk= 1972, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 635, 636, 595, 596,
igr2= 631, 632, 633,
&end
#
# 43 ILE HG1- 43 ILE QG2 4.5 (# 1973:20 Unique)
&rst
ixpk= 1973, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 635, 636,
igr2= 631, 632, 633,
&end
#
# 43 ILE QD1 43 ILE QG2 2.8 (# 1974:20 Unique)
&rst
ixpk= 1974, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 638, 639, 640,
igr2= 631, 632, 633,
&end
#
# 79 ILE QG2 88 ILE QG2 3.5 (# 1975:20 Unique)
&rst
ixpk= 1975, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1173,1174,1175,
igr2=1321,1322,1323,
&end
#
# 56 ILE HG1+ 56 ILE QG2 4.5 (# 1976:20 Unique)
&rst
ixpk= 1976, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 853, 854,
igr2= 849, 850, 851,
&end
#
# 60 VAL MGY 56 ILE QG2 3.5 (# 1977:20 Unique)
&rst
ixpk= 1977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 849, 850, 851,
&end
#
# 56 ILE HG1+ 50 ALA MB 3.5 (# 1978:20 Unique)
&rst
ixpk= 1978, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 853, 854,
igr2= 762, 763, 764,
&end
#
# 0 AMB 20-2:1979 50 ALA MB 5.5 (# 1979:20 Single)
&rst
ixpk= 1979, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 775, 776, 847, 772, 773,
igr2= 762, 763, 764,
&end
#
# 60 VAL HB 25 ILE QD1 4.5 (# 1980:20 Unique)
&rst
ixpk= 1980, nxpk= 20, iat= 921, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 378, 379, 380,
&end
#
# 60 VAL MGY 25 ILE QD1 3.5 (# 1981:20 Unique)
&rst
ixpk= 1981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 378, 379, 380,
&end
#
# 45 ARG HG- 25 ILE QD1 5.5 (# 1982:20 Unique)
&rst
ixpk= 1982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 667, 668,
igr2= 378, 379, 380,
&end
#
# 56 ILE HG1+ 56 ILE QD1 4.5 (# 1983:20 Unique)
&rst
ixpk= 1983, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 853, 854,
igr2= 856, 857, 858,
&end
#
# 21 LYS HB2 56 ILE QD1 7.0 (# 1984:20 Unique)
&rst
ixpk= 1984, nxpk= 20, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 856, 857, 858,
&end
#
# 56 ILE QD1 56 ILE HG1- 5.5 (# 1985:20 Unique)
&rst
ixpk= 1985, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857, 858,
igr2= 853, 854,
&end
#
# 53 HIS HA 56 ILE QD1 4.5 (# 1986:20 Unique)
&rst
ixpk= 1986, nxpk= 20, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 856, 857, 858,
&end
#
# 43 ILE QD1 25 ILE QD1 4.5 (# 1987:20 Unique)
&rst
ixpk= 1987, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 638, 639, 640,
igr2= 378, 379, 380,
&end
#
# 9 ILE QD1 4 ALA MB 4.5 (# 1988:20 Unique)
&rst
ixpk= 1988, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 130, 131, 132,
igr2= 51, 52, 53,
&end
#
# 9 ILE HG1+ 9 ILE QD1 2.8 (# 1990:20 Unique)
&rst
ixpk= 1990, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 127, 128,
igr2= 130, 131, 132,
&end
#
# 6 LEU MDY 9 ILE QD1 3.5 (# 1991:20 Unique)
&rst
ixpk= 1991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 130, 131, 132,
&end
#
# 0 AMB 20-2:1993 0 AMB 20-1:1993 3.5 (# 1993:20 Double)
&rst
ixpk= 1993, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 127, 128,1560,1561,
igr2= 123, 124, 125,1556,1557,1558,
&end
#
# 9 ILE HG1+ 9 ILE QG2 3.5 (# 1994:20 Unique)
&rst
ixpk= 1994, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 127, 128,
igr2= 123, 124, 125,
&end
#
# 43 ILE QD1 9 ILE QG2 3.5 (# 1995:20 Unique)
&rst
ixpk= 1995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 638, 639, 640,
igr2= 123, 124, 125,
&end
#
# 64 MET ME 9 ILE QG2 3.5 (# 1996:20 Unique)
&rst
ixpk= 1996, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 974, 975, 976,
igr2= 123, 124, 125,
&end
#
# 104 ILE HG1+ 104 ILE QD1 2.8 (# 1997:20 Unique)
&rst
ixpk= 1997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1560,1561,
igr2=1563,1564,1565,
&end
#
# 0 AMB 20-2:1999 104 ILE QD1 7.0 (# 1999:20 Single)
&rst
ixpk= 1999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 353,1107,
igr2=1563,1564,1565,
&end
#
# 101 GLN HN 104 ILE QD1 5.5 (# 2000:20 Unique)
&rst
ixpk= 2000, nxpk= 20, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1563,1564,1565,
&end
#
# 23 VAL HN 56 ILE QG2 5.5 (# 2001:20 Unique)
&rst
ixpk= 2001, nxpk= 20, iat= 330, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 45 ARG HB2 56 ILE QG2 4.5 (# 2002:20 Unique)
&rst
ixpk= 2002, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 849, 850, 851,
&end
#
# 0 AMB 20-2:2003 64 MET ME 3.5 (# 2003:20 Single)
&rst
ixpk= 2003, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1026,1027,1047,
igr2= 974, 975, 976,
&end
#
# 64 MET HG- 64 MET ME 3.5 (# 2004:20 Unique)
&rst
ixpk= 2004, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 970, 971,
igr2= 974, 975, 976,
&end
#
# 120 TRP HE1 103 ALA MB 3.5 (# 2005:20 Unique)
&rst
ixpk= 2005, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1544,1545,1546,
&end
#
# 105 SER HN 103 ALA MB 7.0 (# 2006:20 Unique)
&rst
ixpk= 2006, nxpk= 20, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1544,1545,1546,
&end
#
# 0 AMB 20-2:2007 103 ALA MB 5.5 (# 2007:20 Single)
&rst
ixpk= 2007, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1513,1514,1601,1602,
igr2=1544,1545,1546,
&end
#
# 104 ILE HG1- 103 ALA MB 5.5 (# 2008:20 Unique)
&rst
ixpk= 2008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1560,1561,
igr2=1544,1545,1546,
&end
#
# 113 TYR HN 111 ALA MB 5.5 (# 2009:20 Unique)
&rst
ixpk= 2009, nxpk= 20, iat=1704, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:2010 111 ALA MB 5.5 (# 2010:20 Single)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1689,1690, 168, 169, 170, 172, 173, 174,
igr2=1676,1677,1678,
&end
#
# 8 LEU HG 7 ALA MB 3.5 (# 2011:20 Unique)
&rst
ixpk= 2011, nxpk= 20, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 120 TRP HE1 106 THR MG2 5.5 (# 2014:20 Unique)
&rst
ixpk= 2014, nxpk= 20, iat=1827, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1586,1587,1588,
&end
#
# 109 ILE HB 106 THR MG2 4.5 (# 2015:20 Unique)
&rst
ixpk= 2015, nxpk= 20, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1586,1587,1588,
&end
#
# 87 LYS HD- 119 THR MG2 4.5 (# 2016:20 Unique)
&rst
ixpk= 2016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1303,1304,
igr2=1809,1810,1811,
&end
#
# 118 VAL MGY 106 THR MG2 2.8 (# 2017:20 Unique)
&rst
ixpk= 2017, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1793,1794,1795,1797,1798,1799,
igr2=1586,1587,1588,
&end
#
# 90 VAL MGX 106 THR MG2 4.5 (# 2018:20 Unique)
&rst
ixpk= 2018, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1357,1358,1359,1361,1362,1363,
igr2=1586,1587,1588,
&end
#
# 45 ARG HG+ 60 VAL MGY 2.8 (# 2019:20 Unique)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 667, 668,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 45 ARG HB3 60 VAL MGY 3.5 (# 2020:20 Unique)
&rst
ixpk= 2020, nxpk= 20, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 45 ARG HG- 60 VAL MGY 3.5 (# 2021:20 Unique)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 667, 668,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 45 ARG HB2 60 VAL MGY 4.5 (# 2023:20 Unique)
&rst
ixpk= 2023, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 5 ASP HB+ 4 ALA HA 5.5 (# 2024:20 Unique)
&rst
ixpk= 2024, nxpk= 20, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 61, 62,
&end
#
# 4 ALA HA 5 ASP HA 5.5 (# 2025:20 Single)
&rst
ixpk= 2025, nxpk= 20, iat= 49, 59, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS HD- 6 LEU MDX 4.5 (# 2027:20 Unique)
&rst
ixpk= 2027, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 598, 599,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDX 29 SER HB- 5.5 (# 2028:20 Unique)
&rst
ixpk= 2028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 38 ALA HA 29 SER HB- 4.5 (# 2031:20 Unique)
&rst
ixpk= 2031, nxpk= 20, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 445, 446,
&end
#
# 53 HIS HB- 53 HIS HA 5.5 (# 2032:20 Unique)
&rst
ixpk= 2032, nxpk= 20, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 808, 809,
&end
#
# 6 LEU MDY 29 SER HB+ 5.5 (# 2033:20 Unique)
&rst
ixpk= 2033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 445, 446,
&end
#
# 114 PRO HG+ 114 PRO HB+ 2.8 (# 2034:20 Double)
&rst
ixpk= 2034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1729,1730,
igr2=1732,1733,
&end
#
# 10 PRO HB+ 10 PRO HG+ 3.5 (# 2035:20 Unique)
&rst
ixpk= 2035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 143, 144,
igr2= 140, 141,
&end
#
# 65 GLN HG- 65 GLN HB3 2.8 (# 2036:20 Unique)
&rst
ixpk= 2036, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 987, 988,
&end
#
# 65 GLN HG+ 65 GLN HB3 4.5 (# 2037:20 Unique)
&rst
ixpk= 2037, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 987, 988,
&end
#
# 65 GLN HG+ 65 GLN HB2 4.5 (# 2038:20 Unique)
&rst
ixpk= 2038, nxpk= 20, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 987, 988,
&end
#
# 65 GLN HG- 65 GLN HB2 2.8 (# 2039:20 Unique)
&rst
ixpk= 2039, nxpk= 20, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 987, 988,
&end
#
# 0 AMB 20-2:2040 0 AMB 20-1:2040 2.8 (# 2040:20 Double)
&rst
ixpk= 2040, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 143, 144,1221,1222,
igr2= 140, 141,1218,1219,
&end
#
# 10 PRO HG+ 10 PRO HB+ 3.5 (# 2041:20 Unique)
&rst
ixpk= 2041, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 140, 141,
igr2= 143, 144,
&end
#
# 31 PRO HB+ 31 PRO HG+ 2.8 (# 2042:20 Unique)
&rst
ixpk= 2042, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 469, 470,
igr2= 466, 467,
&end
#
# 31 PRO HB+ 31 PRO HG- 3.5 (# 2043:20 Unique)
&rst
ixpk= 2043, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 469, 470,
igr2= 466, 467,
&end
#
# 10 PRO HD+ 10 PRO HG+ 3.5 (# 2044:20 Unique)
&rst
ixpk= 2044, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 137, 138,
igr2= 140, 141,
&end
#
# 3 VAL MGX 32 ARG HB+ 5.5 (# 2047:20 Single)
&rst
ixpk= 2047, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 37, 38, 39, 41, 42, 43,
igr2= 480, 481,
&end
#
# 3 VAL MGX 35 ALA MB 3.5 (# 2049:20 Single)
&rst
ixpk= 2049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 37, 38, 39, 41, 42, 43,
igr2= 522, 523, 524,
&end
#
# 0 AMB 20-2:2051 0 AMB 20-1:2051 2.8 (# 2051:20 Double)
&rst
ixpk= 2051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 614, 615,1619,1620,1004,1005,
igr2=1622,1623,1622,1623,1010,1011,
&end
#
# 0 AMB 20-2:2054 0 AMB 20-1:2054 2.8 (# 2054:20 Double)
&rst
ixpk= 2054, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1023,1218,1219,
igr2=1026,1027,1221,1222,
&end
#
# 0 AMB 20-2:2055 24 LEU MDY 2.8 (# 2055:20 Single)
&rst
ixpk= 2055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 353,1107,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:2056 24 LEU MDY 5.5 (# 2056:20 Single)
&rst
ixpk= 2056, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1108,1616,1617,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 8 LEU HB+ 8 LEU MDY 2.8 (# 2057:20 Unique)
&rst
ixpk= 2057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 102, 103,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 7 ALA MB 8 LEU MDY 4.5 (# 2058:20 Unique)
&rst
ixpk= 2058, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 92, 93, 94,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2061 0 AMB 20-1:2061 3.5 (# 2061:20 Double)
&rst
ixpk= 2061, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1689,1690, 168, 169, 170, 172, 173, 174, 650, 651,
652, 654, 655, 656,
igr2=1695,1696,1622,1623,
&end
#
# 8 LEU MDX 4 ALA MB 5.5 (# 2063:20 Unique)
&rst
ixpk= 2063, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-2:2064 4 ALA MB 4.5 (# 2064:20 Single)
&rst
ixpk= 2064, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 107, 108, 109, 111, 112, 113, 130, 131, 132,
igr2= 51, 52, 53,
&end
#
# 60 VAL MGX 45 ARG HG- 2.8 (# 2065:20 Double)
&rst
ixpk= 2065, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 667, 668,
&end
#
# 0 AMB 20-2:2067 0 AMB 20-1:2067 4.5 (# 2067:20 Double)
&rst
ixpk= 2067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 638, 639, 640,1641,1642,
igr2= 923, 924, 925, 927, 928, 929, 650, 651, 652, 654,
655, 656,
&end
#
# 45 ARG HG- 60 VAL MGX 4.5 (# 2069:20 Unique)
&rst
ixpk= 2069, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 667, 668,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:2070 0 AMB 20-1:2070 3.5 (# 2070:20 Double)
&rst
ixpk= 2070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 648, 974, 975, 976,
igr2= 650, 651, 652, 654, 655, 656, 923, 924, 925, 927,
928, 929,
&end
#
# 24 LEU HA 44 VAL MGY 5.5 (# 2071:20 Unique)
&rst
ixpk= 2071, nxpk= 20, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 78 ARG HG- 19 VAL MGX 3.5 (# 2072:20 Unique)
&rst
ixpk= 2072, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1150,1151,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 0 AMB 20-2:2073 19 VAL MGX 5.5 (# 2073:20 Single)
&rst
ixpk= 2073, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1150,1151, 297, 298,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 0 AMB 20-2:2075 0 AMB 20-1:2075 2.8 (# 2075:20 Double)
&rst
ixpk= 2075, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1586,1587,1588, 635, 636, 595, 596,
igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
419, 420,
&end
#
# 43 ILE HG1- 27 VAL MGY 3.5 (# 2076:20 Unique)
&rst
ixpk= 2076, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 635, 636,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 0 AMB 20-2:2077 0 AMB 20-1:2077 2.8 (# 2077:20 Double)
&rst
ixpk= 2077, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1321,1322,1323, 638, 639, 640,
igr2=1793,1794,1795,1797,1798,1799, 414, 415, 416, 418,
419, 420,
&end
#
# 78 ARG HG- 19 VAL MGX 4.5 (# 2078:20 Unique)
&rst
ixpk= 2078, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1150,1151,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 0 AMB 20-2:2079 118 VAL MGX 3.5 (# 2079:20 Single)
&rst
ixpk= 2079, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1635,1660,1661,1657,1658,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 2 ALA HN 2 ALA MB 4.5 (# 2080:20 Unique)
&rst
ixpk= 2080, nxpk= 20, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 74 LEU MDY 74 LEU HB3 3.5 (# 2081:20 Unique)
&rst
ixpk= 2081, nxpk= 20, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 112 LYS HD+ 112 LYS HA 2.8 (# 2082:20 Unique)
&rst
ixpk= 2082, nxpk= 20, iat= -1,1684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1692,1693,
&end
#
# 117 GLU HB+ 87 LYS HB- 3.5 (# 2085:20 Unique)
&rst
ixpk= 2085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1776,1777,
igr2=1297,1298,
&end
#
# 87 LYS HG- 87 LYS HB+ 3.5 (# 2087:20 Unique)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1300,1301,
igr2=1297,1298,
&end
#
# 87 LYS HG- 87 LYS HB- 3.5 (# 2089:20 Unique)
&rst
ixpk= 2089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1300,1301,
igr2=1297,1298,
&end
#
# 102 HIS HN 101 GLN HG+ 5.5 (# 2091:20 Unique)
&rst
ixpk= 2091, nxpk= 20, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1513,1514,
&end
#
# 102 HIS HN 101 GLN HG- 5.5 (# 2092:20 Unique)
&rst
ixpk= 2092, nxpk= 20, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1513,1514,
&end
#
# 90 VAL HN 90 VAL HB 4.5 (# 2094:20 Unique)
&rst
ixpk= 2094, nxpk= 20, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 MET HB+ 95 MET HG- 3.5 (# 2095:20 Unique)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1431,1432,
igr2=1434,1435,
&end
#
# 95 MET HB- 95 MET HG+ 3.5 (# 2096:20 Unique)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1431,1432,
igr2=1434,1435,
&end
#
# 95 MET HB- 95 MET HG- 3.5 (# 2097:20 Unique)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1431,1432,
igr2=1434,1435,
&end
#
# 0 AMB 20-2:2098 0 AMB 20-1:2098 3.5 (# 2098:20 Double)
&rst
ixpk= 2098, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 168, 169, 170, 172, 173, 174,1637,1638,1639, 650,
651, 652, 654, 655, 656,
igr2=1641,1642,1641,1642,1641,1642,
&end
#
# 50 ALA HA 51 GLU HB+ 5.5 (# 2099:20 Unique)
&rst
ixpk= 2099, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 772, 773,
&end
#
# 0 AMB 20-2:2100 109 ILE HG1- 7.0 (# 2100:20 Single)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1635, 200, 201,
igr2=1641,1642,
&end
#
# 64 MET HB2 69 CYS HB3 4.5 (# 2102:20 Unique)
&rst
ixpk= 2102, nxpk= 20, iat= 967,1048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2103 74 LEU HB3 3.5 (# 2103:20 Single)
&rst
ixpk= 2103, nxpk= 20, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 6 LEU HA 6 LEU HG 5.5 (# 2104:20 Unique)
&rst
ixpk= 2104, nxpk= 20, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 LEU MDY 7 ALA MB 4.5 (# 2105:20 Unique)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 107, 108, 109, 111, 112, 113,
igr2= 92, 93, 94,
&end
#
# 10 PRO HD- 9 ILE HA 3.5 (# 2107:20 Unique)
&rst
ixpk= 2107, nxpk= 20, iat= -1, 119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 137, 138,
&end
#
# 9 ILE HB 9 ILE HA 4.5 (# 2108:20 Unique)
&rst
ixpk= 2108, nxpk= 20, iat= 121, 119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 ILE HA 10 PRO HG+ 4.5 (# 2109:20 Unique)
&rst
ixpk= 2109, nxpk= 20, iat= 119, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 140, 141,
&end
#
# 9 ILE HG1- 9 ILE HB 3.5 (# 2110:20 Unique)
&rst
ixpk= 2110, nxpk= 20, iat= -1, 121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 127, 128,
&end
#
# 10 PRO HD+ 10 PRO HB+ 4.5 (# 2111:20 Unique)
&rst
ixpk= 2111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 137, 138,
igr2= 143, 144,
&end
#
# 10 PRO HB- 12 VAL HN 5.5 (# 2112:20 Unique)
&rst
ixpk= 2112, nxpk= 20, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 143, 144,
&end
#
# 0 AMB 20-2:2113 0 AMB 20-1:2113 5.5 (# 2113:20 Double)
&rst
ixpk= 2113, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 117, 98,
igr2= 137, 138, 137, 138,
&end
#
# 45 ARG HD- 13 ASP HB3 4.5 (# 2114:20 Unique)
&rst
ixpk= 2114, nxpk= 20, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 670, 671,
&end
#
# 45 ARG HD+ 13 ASP HB2 5.5 (# 2115:20 Unique)
&rst
ixpk= 2115, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 670, 671,
&end
#
# 13 ASP HN 13 ASP HB2 5.5 (# 2116:20 Unique)
&rst
ixpk= 2116, nxpk= 20, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU MDX 40 SER HA 3.5 (# 2117:20 Unique)
&rst
ixpk= 2117, nxpk= 20, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:2118 0 AMB 20-1:2118 5.5 (# 2118:20 Double)
&rst
ixpk= 2118, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 686, 687, 564,
igr2= 192, 579,
&end
#
# 14 ILE QG2 14 ILE HB 4.5 (# 2120:20 Unique)
&rst
ixpk= 2120, nxpk= 20, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 196, 197, 198,
&end
#
# 14 ILE HN 14 ILE HG1+ 5.5 (# 2121:20 Unique)
&rst
ixpk= 2121, nxpk= 20, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 200, 201,
&end
#
# 20 PHE HN 19 VAL HA 2.8 (# 2122:20 Unique)
&rst
ixpk= 2122, nxpk= 20, iat= 267, 253, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL HB 19 VAL HA 5.5 (# 2125:20 Unique)
&rst
ixpk= 2125, nxpk= 20, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL MGY 19 VAL HA 3.5 (# 2126:20 Unique)
&rst
ixpk= 2126, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 19 VAL MGX 19 VAL HA 3.5 (# 2127:20 Unique)
&rst
ixpk= 2127, nxpk= 20, iat= -1, 253, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 257, 258, 259, 261, 262, 263,
&end
#
# 109 ILE QD1 44 VAL MGY 4.5 (# 2128:20 Unique)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1644,1645,1646,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 21 LYS HA 21 LYS HB3 5.5 (# 2129:20 Unique)
&rst
ixpk= 2129, nxpk= 20, iat= 289, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LYS HN 21 LYS HB3 5.5 (# 2130:20 Unique)
&rst
ixpk= 2130, nxpk= 20, iat= 287, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 TYR HB- 22 TYR HA 4.5 (# 2132:20 Unique)
&rst
ixpk= 2132, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 313, 314,
&end
#
# 46 GLY HA- 22 TYR HA 4.5 (# 2133:20 Unique)
&rst
ixpk= 2133, nxpk= 20, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 686, 687,
&end
#
# 76 GLY HA+ 23 VAL HA 3.5 (# 2134:20 Unique)
&rst
ixpk= 2134, nxpk= 20, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1131,1132,
&end
#
# 57 TYR HD 23 VAL MGY 5.5 (# 2136:20 Unique)
&rst
ixpk= 2136, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 870, 879,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 45 ARG HB2 23 VAL MGX 5.5 (# 2137:20 Unique)
&rst
ixpk= 2137, nxpk= 20, iat= 664, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 24 LEU MDY 24 LEU HA 2.8 (# 2138:20 Unique)
&rst
ixpk= 2138, nxpk= 20, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:2139 24 LEU HA 3.5 (# 2139:20 Single)
&rst
ixpk= 2139, nxpk= 20, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 350, 351, 375, 376,
&end
#
# 24 LEU HG 24 LEU HA 5.5 (# 2140:20 Unique)
&rst
ixpk= 2140, nxpk= 20, iat= 353, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LEU HB+ 24 LEU HA 3.5 (# 2141:20 Unique)
&rst
ixpk= 2141, nxpk= 20, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 350, 351,
&end
#
# 44 VAL HA 24 LEU HA 4.5 (# 2142:20 Unique)
&rst
ixpk= 2142, nxpk= 20, iat= 646, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 LEU HN 24 LEU HA 5.5 (# 2143:20 Unique)
&rst
ixpk= 2143, nxpk= 20, iat= 346, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ILE HN 24 LEU HA 2.8 (# 2144:20 Unique)
&rst
ixpk= 2144, nxpk= 20, iat= 365, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 102 HIS HD2 24 LEU HB- 5.5 (# 2145:20 Unique)
&rst
ixpk= 2145, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 350, 351,
&end
#
# 24 LEU HB+ 24 LEU HG 4.5 (# 2146:20 Unique)
&rst
ixpk= 2146, nxpk= 20, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 350, 351,
&end
#
# 0 AMB 20-2:2147 24 LEU MDX 5.5 (# 2147:20 Single)
&rst
ixpk= 2147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1518,1519,1550,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 25 ILE QG2 25 ILE HA 3.5 (# 2148:20 Unique)
&rst
ixpk= 2148, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 371, 372, 373,
&end
#
# 26 ARG HN 25 ILE HA 3.5 (# 2149:20 Unique)
&rst
ixpk= 2149, nxpk= 20, iat= 384, 367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 ILE HN 25 ILE HB 4.5 (# 2150:20 Unique)
&rst
ixpk= 2150, nxpk= 20, iat= 365, 369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 ILE HA 25 ILE HG1+ 4.5 (# 2151:20 Unique)
&rst
ixpk= 2151, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 375, 376,
&end
#
# 42 GLU HA 26 ARG HA 3.5 (# 2153:20 Unique)
&rst
ixpk= 2153, nxpk= 20, iat= 612, 386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 VAL HN 26 ARG HA 2.8 (# 2154:20 Unique)
&rst
ixpk= 2154, nxpk= 20, iat= 408, 386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2155 26 ARG HA 3.5 (# 2155:20 Single)
&rst
ixpk= 2155, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 391, 392, 414, 415, 416, 418, 419, 420,
&end
#
# 26 ARG HA 26 ARG HG+ 5.5 (# 2156:20 Unique)
&rst
ixpk= 2156, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 391, 392,
&end
#
# 26 ARG HD- 26 ARG HG- 4.5 (# 2157:20 Unique)
&rst
ixpk= 2157, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 394, 395,
igr2= 391, 392,
&end
#
# 40 SER HA 28 HIS HA 2.8 (# 2158:20 Unique)
&rst
ixpk= 2158, nxpk= 20, iat= 579, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 SER HN 28 HIS HA 2.8 (# 2159:20 Unique)
&rst
ixpk= 2159, nxpk= 20, iat= 441, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ALA HA 30 ALA MB 2.8 (# 2160:20 Single)
&rst
ixpk= 2160, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 456, 457, 458,
&end
#
# 31 PRO HD- 30 ALA HA 2.8 (# 2161:20 Unique)
&rst
ixpk= 2161, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 463, 464,
&end
#
# 30 ALA HA 31 PRO HD+ 2.8 (# 2162:20 Unique)
&rst
ixpk= 2162, nxpk= 20, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 463, 464,
&end
#
# 30 ALA HN 30 ALA HA 3.5 (# 2163:20 Unique)
&rst
ixpk= 2163, nxpk= 20, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 PRO HD- 35 ALA HA 2.8 (# 2164:20 Unique)
&rst
ixpk= 2164, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 529, 530,
&end
#
# 35 ALA HA 36 PRO HG+ 4.5 (# 2165:20 Single)
&rst
ixpk= 2165, nxpk= 20, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 532, 533,
&end
#
# 35 ALA MB 35 ALA HA 2.8 (# 2166:20 Unique)
&rst
ixpk= 2166, nxpk= 20, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 522, 523, 524,
&end
#
# 35 ALA HN 35 ALA HA 4.5 (# 2167:20 Unique)
&rst
ixpk= 2167, nxpk= 20, iat= 518, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 PRO HA 31 PRO HB- 3.5 (# 2168:20 Double)
&rst
ixpk= 2168, nxpk= 20, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 469, 470,
&end
#
# 31 PRO HD- 31 PRO HA 4.5 (# 2169:20 Double)
&rst
ixpk= 2169, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 463, 464,
&end
#
# 31 PRO HD+ 31 PRO HA 4.5 (# 2170:20 Double)
&rst
ixpk= 2170, nxpk= 20, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 463, 464,
&end
#
# 37 ALA HN 36 PRO HB+ 5.5 (# 2173:20 Unique)
&rst
ixpk= 2173, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 535, 536,
&end
#
# 36 PRO HB- 37 ALA HN 5.5 (# 2174:20 Single)
&rst
ixpk= 2174, nxpk= 20, iat= -1, 542, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 535, 536,
&end
#
# 44 VAL MGY 44 VAL HA 3.5 (# 2175:20 Unique)
&rst
ixpk= 2175, nxpk= 20, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 0 AMB 20-2:2176 44 VAL HA 3.5 (# 2176:20 Single)
&rst
ixpk= 2176, nxpk= 20, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 355, 356, 357, 359, 360, 361, 168, 169, 170, 172,
173, 174, 336, 337, 338, 340, 341, 342,
&end
#
# 44 VAL MGX 44 VAL HA 3.5 (# 2177:20 Unique)
&rst
ixpk= 2177, nxpk= 20, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 650, 651, 652, 654, 655, 656,
&end
#
# 0 AMB 20-2:2178 44 VAL HA 4.5 (# 2178:20 Single)
&rst
ixpk= 2178, nxpk= 20, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 648, 629,
&end
#
# 24 LEU HA 44 VAL HA 4.5 (# 2179:20 Unique)
&rst
ixpk= 2179, nxpk= 20, iat= 348, 646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ARG HN 44 VAL HA 2.8 (# 2180:20 Unique)
&rst
ixpk= 2180, nxpk= 20, iat= 660, 646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 VAL MGY 45 ARG HB2 5.5 (# 2181:20 Unique)
&rst
ixpk= 2181, nxpk= 20, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 45 ARG HG- 45 ARG HB2 5.5 (# 2182:20 Unique)
&rst
ixpk= 2182, nxpk= 20, iat= -1, 664, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 45 ARG HG- 45 ARG HB3 4.5 (# 2183:20 Unique)
&rst
ixpk= 2183, nxpk= 20, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 667, 668,
&end
#
# 60 VAL MGY 45 ARG HB3 5.5 (# 2184:20 Unique)
&rst
ixpk= 2184, nxpk= 20, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 52 TYR HN 52 TYR HB- 4.5 (# 2185:20 Unique)
&rst
ixpk= 2185, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 787, 788,
&end
#
# 55 ASP HN 55 ASP HB2 4.5 (# 2187:20 Unique)
&rst
ixpk= 2187, nxpk= 20, iat= 831, 835, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ILE HB 56 ILE HA 5.5 (# 2190:20 Unique)
&rst
ixpk= 2190, nxpk= 20, iat= 847, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR HN 56 ILE HA 7.0 (# 2191:20 Unique)
&rst
ixpk= 2191, nxpk= 20, iat= 862, 845, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 56 ILE HA 56 ILE HG1+ 5.5 (# 2192:20 Unique)
&rst
ixpk= 2192, nxpk= 20, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 853, 854,
&end
#
# 57 TYR HE 57 TYR HA 5.5 (# 2193:20 Unique)
&rst
ixpk= 2193, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 872, 877,
&end
#
# 0 AMB 20-2:2194 0 AMB 20-1:2194 5.5 (# 2194:20 Double)
&rst
ixpk= 2194, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 905, 906, 905, 906,
igr2= 899, 900, 899, 900,
&end
#
# 0 AMB 20-2:2195 59 LYS HB- 5.5 (# 2195:20 Single)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 905, 906, 905, 906,
igr2= 899, 900,
&end
#
# 59 LYS HG+ 59 LYS HB- 3.5 (# 2196:20 Unique)
&rst
ixpk= 2196, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 902, 903,
igr2= 899, 900,
&end
#
# 59 LYS HA 59 LYS HB- 3.5 (# 2197:20 Unique)
&rst
ixpk= 2197, nxpk= 20, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 899, 900,
&end
#
# 59 LYS HA 59 LYS HD- 5.5 (# 2198:20 Unique)
&rst
ixpk= 2198, nxpk= 20, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 905, 906,
&end
#
# 64 MET HG+ 64 MET HB3 4.5 (# 2200:20 Unique)
&rst
ixpk= 2200, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 970, 971,
&end
#
# 64 MET HG- 64 MET HB3 5.5 (# 2201:20 Unique)
&rst
ixpk= 2201, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 970, 971,
&end
#
# 64 MET HG- 64 MET HB2 4.5 (# 2202:20 Unique)
&rst
ixpk= 2202, nxpk= 20, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 970, 971,
&end
#
# 64 MET HA 64 MET HB3 4.5 (# 2203:20 Unique)
&rst
ixpk= 2203, nxpk= 20, iat= 965, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 LEU MDX 74 LEU HA 3.5 (# 2204:20 Unique)
&rst
ixpk= 2204, nxpk= 20, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1112,1113,1114,1116,1117,1118,
&end
#
# 23 VAL HA 76 GLY HA+ 4.5 (# 2205:20 Unique)
&rst
ixpk= 2205, nxpk= 20, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1131,1132,
&end
#
# 99 PRO HD+ 98 GLY HA- 4.5 (# 2208:20 Unique)
&rst
ixpk= 2208, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1483,1484,
igr2=1477,1478,
&end
#
# 99 PRO HD- 98 GLY HA- 4.5 (# 2209:20 Unique)
&rst
ixpk= 2209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1483,1484,
igr2=1477,1478,
&end
#
# 78 ARG HD+ 78 ARG HG+ 4.5 (# 2210:20 Unique)
&rst
ixpk= 2210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1153,1154,
igr2=1150,1151,
&end
#
# 78 ARG HD- 78 ARG HG+ 5.5 (# 2211:20 Unique)
&rst
ixpk= 2211, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1153,1154,
igr2=1150,1151,
&end
#
# 78 ARG HD- 78 ARG HG- 5.5 (# 2212:20 Unique)
&rst
ixpk= 2212, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1153,1154,
igr2=1150,1151,
&end
#
# 60 VAL MGY 45 ARG HG+ 4.5 (# 2213:20 Unique)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 667, 668,
&end
#
# 60 VAL MGY 45 ARG HG- 5.5 (# 2215:20 Unique)
&rst
ixpk= 2215, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 667, 668,
&end
#
# 25 ILE QD1 45 ARG HG- 7.0 (# 2216:20 Unique)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 378, 379, 380,
igr2= 667, 668,
&end
#
# 79 ILE HG1- 79 ILE HA 5.5 (# 2217:20 Unique)
&rst
ixpk= 2217, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1177,1178,
&end
#
# 0 AMB 20-2:2218 79 ILE HA 5.5 (# 2218:20 Single)
&rst
ixpk= 2218, nxpk= 20, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1357,1358,1359,1361,1362,1363,1171,
&end
#
# 0 AMB 20-2:2219 93 TYR HA 3.5 (# 2219:20 Single)
&rst
ixpk= 2219, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1399,1400,1489,1490,
&end
#
# 93 TYR HB+ 93 TYR HA 3.5 (# 2220:20 Unique)
&rst
ixpk= 2220, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1399,1400,
&end
#
# 99 PRO HA 93 TYR HA 3.5 (# 2222:20 Unique)
&rst
ixpk= 2222, nxpk= 20, iat=1492,1397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 SER HN 93 TYR HA 4.5 (# 2223:20 Unique)
&rst
ixpk= 2223, nxpk= 20, iat=1416,1397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 ALA HN 93 TYR HA 5.5 (# 2224:20 Unique)
&rst
ixpk= 2224, nxpk= 20, iat=1496,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 TYR HD 93 TYR HA 5.5 (# 2225:20 Unique)
&rst
ixpk= 2225, nxpk= 20, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1403,1412,
&end
#
# 97 TYR HD 97 TYR HA 3.5 (# 2226:20 Unique)
&rst
ixpk= 2226, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1462,1471,
&end
#
# 97 TYR HB+ 97 TYR HA 3.5 (# 2227:20 Unique)
&rst
ixpk= 2227, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1458,1459,
&end
#
# 97 TYR HB- 97 TYR HA 5.5 (# 2228:20 Unique)
&rst
ixpk= 2228, nxpk= 20, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1458,1459,
&end
#
# 49 TRP HE3 49 TRP HA 5.5 (# 2229:20 Unique)
&rst
ixpk= 2229, nxpk= 20, iat= 753, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 TYR HA 97 TYR HB- 4.5 (# 2230:20 Unique)
&rst
ixpk= 2230, nxpk= 20, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1458,1459,
&end
#
# 11 ASP HA 43 ILE QD1 5.5 (# 2231:20 Unique)
&rst
ixpk= 2231, nxpk= 20, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 638, 639, 640,
&end
#
# 102 HIS HD2 79 ILE QD1 5.5 (# 2232:20 Unique)
&rst
ixpk= 2232, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1180,1181,1182,
&end
#
# 22 TYR HD 79 ILE QD1 5.5 (# 2234:20 Unique)
&rst
ixpk= 2234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 317, 326,
igr2=1180,1181,1182,
&end
#
# 44 VAL HN 43 ILE QD1 5.5 (# 2235:20 Unique)
&rst
ixpk= 2235, nxpk= 20, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 638, 639, 640,
&end
#
# 76 GLY HN 94 SER HB+ 5.5 (# 2236:20 Unique)
&rst
ixpk= 2236, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1420,1421,
&end
#
# 107 GLU HN 104 ILE HA 5.5 (# 2237:20 Unique)
&rst
ixpk= 2237, nxpk= 20, iat=1594,1552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 SER HN 104 ILE HA 5.5 (# 2238:20 Unique)
&rst
ixpk= 2238, nxpk= 20, iat=1569,1552, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS HG- 118 VAL HA 5.5 (# 2239:20 Unique)
&rst
ixpk= 2239, nxpk= 20, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1300,1301,
&end
#
# 0 AMB 20-2:2240 118 VAL HA 5.5 (# 2240:20 Single)
&rst
ixpk= 2240, nxpk= 20, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1809,1810,1811,1586,1587,1588,
&end
#
# 25 ILE HN 25 ILE HA 5.5 (# 2241:20 Unique)
&rst
ixpk= 2241, nxpk= 20, iat= 365, 367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2242 25 ILE HA 4.5 (# 2242:20 Single)
&rst
ixpk= 2242, nxpk= 20, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 375, 376, 369,
&end
#
# 0 AMB 20-2:2243 119 THR HA 2.8 (# 2243:20 Single)
&rst
ixpk= 2243, nxpk= 20, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1809,1810,1811,1586,1587,1588,
&end
#
# 119 THR HB 119 THR HA 3.5 (# 2244:20 Unique)
&rst
ixpk= 2244, nxpk= 20, iat=1807,1805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 TRP HN 119 THR HA 2.8 (# 2245:20 Unique)
&rst
ixpk= 2245, nxpk= 20, iat=1817,1805, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2246 11 ASP HA 5.5 (# 2246:20 Single)
&rst
ixpk= 2246, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 150, 644,
&end
#
# 58 ASP HN 55 ASP HA 5.5 (# 2247:20 Unique)
&rst
ixpk= 2247, nxpk= 20, iat= 883, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2248 55 ASP HA 5.5 (# 2248:20 Single)
&rst
ixpk= 2248, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 895, 749,
&end
#
# 0 AMB 20-2:2249 55 ASP HA 5.5 (# 2249:20 Single)
&rst
ixpk= 2249, nxpk= 20, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 762, 763, 764, 856, 857, 858,
&end
#
# 0 AMB 20-2:2250 108 LYS HA 5.5 (# 2250:20 Single)
&rst
ixpk= 2250, nxpk= 20, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 168, 169, 170, 172, 173, 174,1689,1690, 650, 651,
652, 654, 655, 656,
&end
#
# 61 SER HB- 58 ASP HA 5.5 (# 2251:20 Unique)
&rst
ixpk= 2251, nxpk= 20, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 937, 938,
&end
#
# 0 AMB 20-2:2252 0 AMB 20-1:2252 5.5 (# 2252:20 Double)
&rst
ixpk= 2252, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1631, 917,
igr2=1611, 885,
&end
#
# 0 AMB 20-2:2253 0 AMB 20-1:2253 5.5 (# 2253:20 Double)
&rst
ixpk= 2253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 933,1650,
igr2= 885,1611,
&end
#
# 21 LYS HN 21 LYS HA 5.5 (# 2254:20 Unique)
&rst
ixpk= 2254, nxpk= 20, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HN 63 ASP HA 5.5 (# 2255:20 Unique)
&rst
ixpk= 2255, nxpk= 20, iat= 963, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HE2+ 64 MET HA 5.5 (# 2256:20 Unique)
&rst
ixpk= 2256, nxpk= 20, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1031,1032,
&end
#
# 66 LYS HN 64 MET HA 7.0 (# 2257:20 Unique)
&rst
ixpk= 2257, nxpk= 20, iat= 997, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 SER HN 102 HIS HA 4.5 (# 2258:20 Unique)
&rst
ixpk= 2258, nxpk= 20, iat=1569,1525, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2259 0 AMB 20-1:2259 5.5 (# 2259:20 Double)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1550, 791, 800,1496,
igr2=1525, 770,
&end
#
# 98 GLY HN 97 TYR HA 5.5 (# 2260:20 Unique)
&rst
ixpk= 2260, nxpk= 20, iat=1475,1456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HA 26 ARG HB2 4.5 (# 2261:20 Single)
&rst
ixpk= 2261, nxpk= 20, iat= 386, 388, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ARG HB3 26 ARG HA 4.5 (# 2262:20 Unique)
&rst
ixpk= 2262, nxpk= 20, iat= 389, 386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ARG HG+ 26 ARG HA 5.5 (# 2263:20 Unique)
&rst
ixpk= 2263, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 391, 392,
&end
#
# 54 ALA MB 54 ALA HA 2.8 (# 2264:20 Unique)
&rst
ixpk= 2264, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 825, 826, 827,
&end
#
# 97 TYR HE 54 ALA HA 4.5 (# 2265:20 Unique)
&rst
ixpk= 2265, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1464,1469,
&end
#
# 14 ILE HN 13 ASP HA 2.8 (# 2266:20 Unique)
&rst
ixpk= 2266, nxpk= 20, iat= 190, 180, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2267 54 ALA HA 5.5 (# 2267:20 Single)
&rst
ixpk= 2267, nxpk= 20, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 821, 883,
&end
#
# 8 LEU HA 7 ALA MB 5.5 (# 2268:20 Unique)
&rst
ixpk= 2268, nxpk= 20, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 92, 93, 94,
&end
#
# 48 LYS HN 48 LYS HA 4.5 (# 2269:20 Unique)
&rst
ixpk= 2269, nxpk= 20, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 TYR HN 0 AMB 20-1:2270 5.5 (# 2270:20 Single)
&rst
ixpk= 2270, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 693, 311,
&end
#
# 22 TYR HN 22 TYR HA 5.5 (# 2271:20 Unique)
&rst
ixpk= 2271, nxpk= 20, iat= 309, 311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 THR HN 89 HIS HA 4.5 (# 2272:20 Unique)
&rst
ixpk= 2272, nxpk= 20, iat=1803,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 SER HB3 28 HIS HA 4.5 (# 2273:20 Unique)
&rst
ixpk= 2273, nxpk= 20, iat= 582, 426, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 CYS HA 28 HIS HA 7.0 (# 2274:20 Unique)
&rst
ixpk= 2274, nxpk= 20, iat=1045, 426, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 28 HIS HA 40 SER HN 5.5 (# 2275:20 Single)
&rst
ixpk= 2275, nxpk= 20, iat= 426, 577, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 HIS HN 28 HIS HA 3.5 (# 2276:20 Unique)
&rst
ixpk= 2276, nxpk= 20, iat= 424, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 ILE HN 78 ARG HA 3.5 (# 2277:20 Unique)
&rst
ixpk= 2277, nxpk= 20, iat=1167,1145, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 LYS HA 78 ARG HA 5.5 (# 2278:20 Unique)
&rst
ixpk= 2278, nxpk= 20, iat= 289,1145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 ARG HG- 78 ARG HA 7.0 (# 2279:20 Unique)
&rst
ixpk= 2279, nxpk= 20, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1150,1151,
&end
#
# 78 ARG HG+ 78 ARG HA 7.0 (# 2280:20 Unique)
&rst
ixpk= 2280, nxpk= 20, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1150,1151,
&end
#
# 28 HIS HB2 28 HIS HA 3.5 (# 2282:20 Unique)
&rst
ixpk= 2282, nxpk= 20, iat= 428, 426, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 HIS HB3 28 HIS HA 2.8 (# 2283:20 Unique)
&rst
ixpk= 2283, nxpk= 20, iat= 429, 426, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 PHE HB- 20 PHE HA 3.5 (# 2284:20 Unique)
&rst
ixpk= 2284, nxpk= 20, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 271, 272,
&end
#
# 6 LEU MDX 28 HIS HA 4.5 (# 2285:20 Unique)
&rst
ixpk= 2285, nxpk= 20, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:2286 0 AMB 20-1:2286 4.5 (# 2286:20 Double)
&rst
ixpk= 2286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 257, 258, 259, 261, 262, 263, 414, 415, 416, 418,
419, 420, 391, 392,
igr2= 269, 426,
&end
#
# 0 AMB 20-2:2287 26 ARG HA 5.5 (# 2287:20 Single)
&rst
ixpk= 2287, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1112,1113,1114,1116,1117,1118, 631, 632, 633, 355,
356, 357, 359, 360, 361,
&end
#
# 43 ILE HN 26 ARG HA 5.5 (# 2288:20 Unique)
&rst
ixpk= 2288, nxpk= 20, iat= 625, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2289 120 TRP HA 5.5 (# 2289:20 Single)
&rst
ixpk= 2289, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1528,1338,1339,
&end
#
# 0 AMB 20-2:2290 120 TRP HA 5.5 (# 2290:20 Single)
&rst
ixpk= 2290, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1371,1372,1527,
&end
#
# 0 AMB 20-2:2291 120 TRP HA 5.5 (# 2291:20 Single)
&rst
ixpk= 2291, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1845,1846,1847,1303,1304,
&end
#
# 106 THR MG2 120 TRP HA 5.5 (# 2292:20 Unique)
&rst
ixpk= 2292, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1586,1587,1588,
&end
#
# 90 VAL MGX 120 TRP HA 5.5 (# 2293:20 Unique)
&rst
ixpk= 2293, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 90 VAL MGY 120 TRP HA 7.0 (# 2294:20 Unique)
&rst
ixpk= 2294, nxpk= 20, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 89 HIS HE1 120 TRP HA 5.5 (# 2295:20 Unique)
&rst
ixpk= 2295, nxpk= 20, iat=1344,1819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 TRP HN 120 TRP HA 5.5 (# 2296:20 Unique)
&rst
ixpk= 2296, nxpk= 20, iat=1817,1819, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 TRP HA 120 TRP HZ3 7.0 (# 2297:20 Unique)
&rst
ixpk= 2297, nxpk= 20, iat=1819,1834, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 82 GLN HN 87 LYS HA 5.5 (# 2298:20 Unique)
&rst
ixpk= 2298, nxpk= 20, iat=1214,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 LYS HG- 87 LYS HA 5.5 (# 2299:20 Unique)
&rst
ixpk= 2299, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1300,1301,
&end
#
# 87 LYS HB- 87 LYS HA 4.5 (# 2300:20 Unique)
&rst
ixpk= 2300, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1297,1298,
&end
#
# 87 LYS HB+ 87 LYS HA 5.5 (# 2301:20 Unique)
&rst
ixpk= 2301, nxpk= 20, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1297,1298,
&end
#
# 106 THR MG2 103 ALA HA 5.5 (# 2302:20 Unique)
&rst
ixpk= 2302, nxpk= 20, iat= -1,1542, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1586,1587,1588,
&end
#
# 104 ILE HN 103 ALA HA 5.5 (# 2303:20 Unique)
&rst
ixpk= 2303, nxpk= 20, iat=1550,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ALA HN 103 ALA HA 4.5 (# 2304:20 Unique)
&rst
ixpk= 2304, nxpk= 20, iat=1540,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 THR HN 103 ALA HA 5.5 (# 2305:20 Unique)
&rst
ixpk= 2305, nxpk= 20, iat=1580,1542, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 TYR HD 48 LYS HA 7.0 (# 2306:20 Unique)
&rst
ixpk= 2306, nxpk= 20, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 699, 708,
&end
#
# 112 LYS HN 111 ALA HA 4.5 (# 2307:20 Unique)
&rst
ixpk= 2307, nxpk= 20, iat=1682,1674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 ALA HA 8 LEU MDY 5.5 (# 2308:20 Single)
&rst
ixpk= 2308, nxpk= 20, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 0 AMB 20-2:2309 0 AMB 20-1:2309 4.5 (# 2309:20 Double)
&rst
ixpk= 2309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1657,1658, 598, 599,1660,1661,
igr2=1674, 90,
&end
#
# 0 AMB 20-2:2310 7 ALA HA 5.5 (# 2310:20 Single)
&rst
ixpk= 2310, nxpk= 20, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 73, 102, 103,
&end
#
# 110 LYS HB+ 111 ALA HA 5.5 (# 2312:20 Unique)
&rst
ixpk= 2312, nxpk= 20, iat= -1,1674, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1654,1655,
&end
#
# 7 ALA HA 6 LEU HB2 7.0 (# 2313:20 Double)
&rst
ixpk= 2313, nxpk= 20, iat= 90, 73, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 ARG HB+ 32 ARG HA 5.5 (# 2314:20 Unique)
&rst
ixpk= 2314, nxpk= 20, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 480, 481,
&end
#
# 70 ASP HB- 70 ASP HA 3.5 (# 2315:20 Unique)
&rst
ixpk= 2315, nxpk= 20, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1058,1059,
&end
#
# 70 ASP HA 70 ASP HB+ 2.8 (# 2316:20 Single)
&rst
ixpk= 2316, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1058,1059,
&end
#
# 70 ASP HN 70 ASP HA 3.5 (# 2317:20 Unique)
&rst
ixpk= 2317, nxpk= 20, iat=1054,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 CYS HN 70 ASP HA 2.8 (# 2318:20 Unique)
&rst
ixpk= 2318, nxpk= 20, iat=1066,1056, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ASP HA 8 LEU MDY 5.5 (# 2321:20 Single)
&rst
ixpk= 2321, nxpk= 20, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 107, 108, 109, 111, 112, 113,
&end
#
# 5 ASP HA 4 ALA MB 5.5 (# 2322:20 Single)
&rst
ixpk= 2322, nxpk= 20, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 0 AMB 20-2:2323 5 ASP HA 5.5 (# 2323:20 Single)
&rst
ixpk= 2323, nxpk= 20, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 463, 464, 71,
&end
#
# 0 AMB 20-2:2324 24 LEU HA 4.5 (# 2324:20 Single)
&rst
ixpk= 2324, nxpk= 20, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 650, 651, 652, 654, 655, 656,1500,1501,1502,1112,
1113,1114,1116,1117,1118,
&end
#
# 51 GLU HB- 50 ALA HA 5.5 (# 2325:20 Unique)
&rst
ixpk= 2325, nxpk= 20, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 772, 773,
&end
#
# 76 GLY HN 100 ALA HA 5.5 (# 2326:20 Unique)
&rst
ixpk= 2326, nxpk= 20, iat=1129,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN HB- 100 ALA HA 5.5 (# 2327:20 Unique)
&rst
ixpk= 2327, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1510,1511,
&end
#
# 10 PRO HD- 10 PRO HB+ 4.5 (# 2328:20 Unique)
&rst
ixpk= 2328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 137, 138,
igr2= 143, 144,
&end
#
# 10 PRO HD+ 10 PRO HB+ 5.5 (# 2329:20 Unique)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 137, 138,
igr2= 143, 144,
&end
#
# 10 PRO HB- 10 PRO HD+ 5.5 (# 2330:20 Unique)
&rst
ixpk= 2330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144,
igr2= 137, 138,
&end
#
# 47 TYR HN 46 GLY HA- 4.5 (# 2334:20 Unique)
&rst
ixpk= 2334, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 686, 687,
&end
#
# 22 TYR HA 46 GLY HA- 5.5 (# 2335:20 Unique)
&rst
ixpk= 2335, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 686, 687,
&end
#
# 56 ILE QD1 46 GLY HA- 4.5 (# 2336:20 Unique)
&rst
ixpk= 2336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857, 858,
igr2= 686, 687,
&end
#
# 14 ILE QG2 46 GLY HA- 7.0 (# 2337:20 Unique)
&rst
ixpk= 2337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 196, 197, 198,
igr2= 686, 687,
&end
#
# 102 HIS HD2 77 GLY HA+ 7.0 (# 2338:20 Unique)
&rst
ixpk= 2338, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1138,1139,
&end
#
# 102 HIS HD2 77 GLY HA- 5.5 (# 2339:20 Unique)
&rst
ixpk= 2339, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1138,1139,
&end
#
# 0 AMB 20-2:2340 0 AMB 20-1:2340 5.5 (# 2340:20 Double)
&rst
ixpk= 2340, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 691,1536,
igr2= 313, 314, 313, 314,
&end
#
# 0 AMB 20-2:2341 0 AMB 20-1:2341 4.5 (# 2341:20 Double)
&rst
ixpk= 2341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 856, 857, 858, 336, 337, 338, 340, 341, 342, 336,
337, 338, 340, 341, 342, 292,
igr2= 313, 314, 313, 314, 313, 314, 313, 314,
&end
#
# 78 ARG HA 78 ARG HD+ 5.5 (# 2342:20 Unique)
&rst
ixpk= 2342, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1153,1154,
&end
#
# 78 ARG HB+ 78 ARG HD+ 5.5 (# 2344:20 Unique)
&rst
ixpk= 2344, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1147,1148,
igr2=1153,1154,
&end
#
# 91 TYR HE 78 ARG HD+ 5.5 (# 2345:20 Unique)
&rst
ixpk= 2345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1377,1382,
igr2=1153,1154,
&end
#
# 26 ARG HE 26 ARG HD+ 5.5 (# 2347:20 Unique)
&rst
ixpk= 2347, nxpk= 20, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 394, 395,
&end
#
# 28 HIS HE1 26 ARG HD+ 5.5 (# 2348:20 Unique)
&rst
ixpk= 2348, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 394, 395,
&end
#
# 0 AMB 20-2:2349 0 AMB 20-1:2349 5.5 (# 2349:20 Double)
&rst
ixpk= 2349, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1611, 999,
igr2=1622,1623,1010,1011,
&end
#
# 0 AMB 20-2:2350 0 AMB 20-1:2350 5.5 (# 2350:20 Double)
&rst
ixpk= 2350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1684, 897,
igr2=1695,1696, 908, 909,
&end
#
# 0 AMB 20-2:2351 0 AMB 20-1:2351 5.5 (# 2351:20 Double)
&rst
ixpk= 2351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1809,1810,1811,1586,1587,1588,
igr2=1663,1664,1663,1664,
&end
#
# 0 AMB 20-2:2352 0 AMB 20-1:2352 5.5 (# 2352:20 Double)
&rst
ixpk= 2352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1793,1794,1795,1797,1798,1799,1793,1794,1795,1797,
1798,1799,
igr2=1663,1664,1663,1664,
&end
#
# 118 VAL MGY 110 LYS HE- 5.5 (# 2353:20 Unique)
&rst
ixpk= 2353, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1793,1794,1795,1797,1798,1799,
igr2=1663,1664,
&end
#
# 0 AMB 20-2:2354 110 LYS HE- 5.5 (# 2354:20 Single)
&rst
ixpk= 2354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1809,1810,1811,1586,1587,1588,
igr2=1663,1664,
&end
#
# 117 GLU HA 110 LYS HE+ 5.5 (# 2355:20 Unique)
&rst
ixpk= 2355, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1663,1664,
&end
#
# 117 GLU HA 110 LYS HE- 5.5 (# 2356:20 Unique)
&rst
ixpk= 2356, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1663,1664,
&end
#
# 107 GLU HA 110 LYS HE+ 7.0 (# 2357:20 Unique)
&rst
ixpk= 2357, nxpk= 20, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1663,1664,
&end
#
# 0 AMB 20-2:2358 0 AMB 20-1:2358 7.0 (# 2358:20 Double)
&rst
ixpk= 2358, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1609,1019,
igr2=1622,1623,1010,1011,
&end
#
# 45 ARG HD- 13 ASP HB2 5.5 (# 2360:20 Unique)
&rst
ixpk= 2360, nxpk= 20, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 670, 671,
&end
#
# 6 LEU HN 5 ASP HB+ 5.5 (# 2361:20 Unique)
&rst
ixpk= 2361, nxpk= 20, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 61, 62,
&end
#
# 0 AMB 20-2:2362 0 AMB 20-1:2362 5.5 (# 2362:20 Double)
&rst
ixpk= 2362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1= 166, 592, 593, 592, 593,
igr2= 154, 155, 154, 155, 154, 155,
&end
#
# 74 LEU HN 74 LEU HB3 5.5 (# 2363:20 Unique)
&rst
ixpk= 2363, nxpk= 20, iat=1103,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ILE HG1+ 43 ILE HB 5.5 (# 2364:20 Unique)
&rst
ixpk= 2364, nxpk= 20, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 635, 636,
&end
#
# 75 GLY HA+ 97 TYR HB+ 5.5 (# 2365:20 Unique)
&rst
ixpk= 2365, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1124,1125,
igr2=1458,1459,
&end
#
# 75 GLY HA- 97 TYR HB+ 5.5 (# 2366:20 Unique)
&rst
ixpk= 2366, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1124,1125,
igr2=1458,1459,
&end
#
# 54 ALA MB 52 TYR HB- 4.5 (# 2367:20 Unique)
&rst
ixpk= 2367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 825, 826, 827,
igr2= 787, 788,
&end
#
# 64 MET ME 63 ASP HB3 5.5 (# 2368:20 Unique)
&rst
ixpk= 2368, nxpk= 20, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 974, 975, 976,
&end
#
# 64 MET ME 63 ASP HB2 4.5 (# 2369:20 Unique)
&rst
ixpk= 2369, nxpk= 20, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 974, 975, 976,
&end
#
# 54 ALA MB 52 TYR HB+ 4.5 (# 2370:20 Unique)
&rst
ixpk= 2370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 825, 826, 827,
igr2= 787, 788,
&end
#
# 93 TYR HA 93 TYR HB+ 5.5 (# 2371:20 Unique)
&rst
ixpk= 2371, nxpk= 20, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1399,1400,
&end
#
# 99 PRO HG- 93 TYR HB+ 7.0 (# 2372:20 Unique)
&rst
ixpk= 2372, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1486,1487,
igr2=1399,1400,
&end
#
# 99 PRO HA 93 TYR HB+ 5.5 (# 2373:20 Unique)
&rst
ixpk= 2373, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1399,1400,
&end
#
# 98 GLY HN 97 TYR HB+ 5.5 (# 2374:20 Unique)
&rst
ixpk= 2374, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1458,1459,
&end
#
# 21 LYS HN 20 PHE HB- 5.5 (# 2375:20 Unique)
&rst
ixpk= 2375, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 271, 272,
&end
#
# 60 VAL MGX 63 ASP HB3 5.5 (# 2376:20 Unique)
&rst
ixpk= 2376, nxpk= 20, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 6 LEU HA 9 ILE HB 5.5 (# 2377:20 Unique)
&rst
ixpk= 2377, nxpk= 20, iat= 71, 121, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ASN HN 122 ASN HB+ 7.0 (# 2378:20 Unique)
&rst
ixpk= 2378, nxpk= 20, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1855,1856,
&end
#
# 122 ASN HD2- 122 ASN HB+ 5.5 (# 2379:20 Unique)
&rst
ixpk= 2379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1860,1861,
igr2=1855,1856,
&end
#
# 123 ASP HN 122 ASN HB- 7.0 (# 2382:20 Unique)
&rst
ixpk= 2382, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1855,1856,
&end
#
# 91 TYR HN 91 TYR HB- 5.5 (# 2383:20 Unique)
&rst
ixpk= 2383, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1371,1372,
&end
#
# 0 AMB 20-2:2384 57 TYR HB2 4.5 (# 2384:20 Single)
&rst
ixpk= 2384, nxpk= 20, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 883, 821,
&end
#
# 91 TYR HN 91 TYR HB+ 5.5 (# 2385:20 Unique)
&rst
ixpk= 2385, nxpk= 20, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1371,1372,
&end
#
# 110 LYS HN 109 ILE HB 5.5 (# 2386:20 Unique)
&rst
ixpk= 2386, nxpk= 20, iat=1650,1635, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ILE HN 42 GLU HG+ 5.5 (# 2387:20 Unique)
&rst
ixpk= 2387, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 617, 618,
&end
#
# 27 VAL HN 42 GLU HG- 5.5 (# 2388:20 Unique)
&rst
ixpk= 2388, nxpk= 20, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 617, 618,
&end
#
# 42 GLU HG- 41 LYS HA 7.0 (# 2390:20 Unique)
&rst
ixpk= 2390, nxpk= 20, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 617, 618,
&end
#
# 87 LYS HE+ 87 LYS HB- 5.5 (# 2392:20 Unique)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1306,1307,
igr2=1297,1298,
&end
#
# 0 AMB 20-2:2393 0 AMB 20-1:2393 5.5 (# 2393:20 Double)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 793, 798, 751,
igr2= 775, 776, 775, 776,
&end
#
# 52 TYR HD 51 GLU HG- 5.5 (# 2394:20 Unique)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 791, 800,
igr2= 775, 776,
&end
#
# 50 ALA HA 51 GLU HG- 7.0 (# 2398:20 Unique)
&rst
ixpk= 2398, nxpk= 20, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 775, 776,
&end
#
# 0 AMB 20-2:2399 51 GLU HG- 7.0 (# 2399:20 Single)
&rst
ixpk= 2399, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 793, 798, 751,
igr2= 775, 776,
&end
#
# 41 LYS HG+ 41 LYS HB+ 5.5 (# 2400:20 Unique)
&rst
ixpk= 2400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 595, 596,
igr2= 592, 593,
&end
#
# 70 ASP HA 65 GLN HG+ 7.0 (# 2401:20 Unique)
&rst
ixpk= 2401, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 987, 988,
&end
#
# 70 ASP HA 65 GLN HG- 7.0 (# 2402:20 Unique)
&rst
ixpk= 2402, nxpk= 20, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 987, 988,
&end
#
# 65 GLN HE2- 65 GLN HG- 5.5 (# 2403:20 Unique)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 992, 993,
igr2= 987, 988,
&end
#
# 71 CYS HA 72 GLU HB+ 7.0 (# 2404:20 Unique)
&rst
ixpk= 2404, nxpk= 20, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1081,1082,
&end
#
# 71 CYS HA 72 GLU HB- 5.5 (# 2405:20 Unique)
&rst
ixpk= 2405, nxpk= 20, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1081,1082,
&end
#
# 56 ILE HG1+ 21 LYS HB2 5.5 (# 2406:20 Unique)
&rst
ixpk= 2406, nxpk= 20, iat= -1, 291, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 853, 854,
&end
#
# 22 TYR HN 21 LYS HB2 7.0 (# 2408:20 Unique)
&rst
ixpk= 2408, nxpk= 20, iat= 309, 291, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 ILE HG1+ 101 GLN HG- 5.5 (# 2410:20 Unique)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1560,1561,
igr2=1513,1514,
&end
#
# 104 ILE HG1+ 101 GLN HG+ 5.5 (# 2411:20 Unique)
&rst
ixpk= 2411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1560,1561,
igr2=1513,1514,
&end
#
# 28 HIS HN 28 HIS HB3 5.5 (# 2412:20 Unique)
&rst
ixpk= 2412, nxpk= 20, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP HN 28 HIS HB2 5.5 (# 2413:20 Unique)
&rst
ixpk= 2413, nxpk= 20, iat=1054, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2414 28 HIS HB3 5.5 (# 2414:20 Single)
&rst
ixpk= 2414, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1054, 452,
&end
#
# 120 TRP HB+ 120 TRP HZ3 5.5 (# 2415:20 Unique)
&rst
ixpk= 2415, nxpk= 20, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1821,1822,
&end
#
# 120 TRP HD1 120 TRP HB+ 5.5 (# 2416:20 Unique)
&rst
ixpk= 2416, nxpk= 20, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1821,1822,
&end
#
# 61 SER HN 60 VAL HB 3.5 (# 2417:20 Unique)
&rst
ixpk= 2417, nxpk= 20, iat= 933, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 LYS HN 110 LYS HB+ 4.5 (# 2418:20 Unique)
&rst
ixpk= 2418, nxpk= 20, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1654,1655,
&end
#
# 111 ALA HN 110 LYS HB+ 5.5 (# 2419:20 Unique)
&rst
ixpk= 2419, nxpk= 20, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1654,1655,
&end
#
# 0 AMB 20-2:2420 0 AMB 20-1:2420 3.5 (# 2420:20 Double)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1652,1596,
igr2=1654,1655,1654,1655,
&end
#
# 107 GLU HG+ 110 LYS HB+ 7.0 (# 2421:20 Unique)
&rst
ixpk= 2421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1601,1602,
igr2=1654,1655,
&end
#
# 0 AMB 20-2:2422 0 AMB 20-1:2422 3.5 (# 2422:20 Double)
&rst
ixpk= 2422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1657,1658,1660,1661,
igr2=1654,1655,1654,1655,
&end
#
# 56 ILE HA 59 LYS HB- 7.0 (# 2424:20 Unique)
&rst
ixpk= 2424, nxpk= 20, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 899, 900,
&end
#
# 56 ILE HA 0 AMB 20-1:2425 5.5 (# 2425:20 Single)
&rst
ixpk= 2425, nxpk= 20, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 899, 900, 899, 900,
&end
#
# 0 AMB 20-2:2426 0 AMB 20-1:2426 5.5 (# 2426:20 Double)
&rst
ixpk= 2426, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1584,1525,
igr2=1821,1822,1821,1822,
&end
#
# 69 CYS HB2 64 MET HB3 4.5 (# 2427:20 Unique)
&rst
ixpk= 2427, nxpk= 20, iat=1047, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 VAL MGY 64 MET HB3 3.5 (# 2428:20 Unique)
&rst
ixpk= 2428, nxpk= 20, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 26 ARG HA 26 ARG HB3 5.5 (# 2429:20 Unique)
&rst
ixpk= 2429, nxpk= 20, iat= 386, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 PRO HB+ 10 PRO HD- 5.5 (# 2430:20 Unique)
&rst
ixpk= 2430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144,
igr2= 137, 138,
&end
#
# 26 ARG HN 26 ARG HB3 5.5 (# 2431:20 Unique)
&rst
ixpk= 2431, nxpk= 20, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ILE HN 108 LYS HB3 5.5 (# 2432:20 Unique)
&rst
ixpk= 2432, nxpk= 20, iat=1631,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HN 64 MET HB3 7.0 (# 2433:20 Unique)
&rst
ixpk= 2433, nxpk= 20, iat= 963, 968, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 65 GLN HN 64 MET HB3 5.5 (# 2434:20 Unique)
&rst
ixpk= 2434, nxpk= 20, iat= 980, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 GLN HN 64 MET HB2 5.5 (# 2435:20 Unique)
&rst
ixpk= 2435, nxpk= 20, iat= 980, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HN 64 MET HB2 5.5 (# 2436:20 Unique)
&rst
ixpk= 2436, nxpk= 20, iat= 963, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ALA MB 31 PRO HB+ 5.5 (# 2437:20 Unique)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 522, 523, 524,
igr2= 469, 470,
&end
#
# 36 PRO HB+ 36 PRO HD+ 4.5 (# 2438:20 Double)
&rst
ixpk= 2438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 535, 536,
igr2= 529, 530,
&end
#
# 4 ALA HN 31 PRO HB+ 5.5 (# 2439:20 Unique)
&rst
ixpk= 2439, nxpk= 20, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 469, 470,
&end
#
# 10 PRO HB- 10 PRO HD- 5.5 (# 2440:20 Unique)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144,
igr2= 137, 138,
&end
#
# 61 SER HA 64 MET HB2 5.5 (# 2443:20 Unique)
&rst
ixpk= 2443, nxpk= 20, iat= 935, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ARG HN 26 ARG HB2 5.5 (# 2444:20 Unique)
&rst
ixpk= 2444, nxpk= 20, iat= 384, 388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 TRP HZ3 102 HIS HB2 5.5 (# 2445:20 Unique)
&rst
ixpk= 2445, nxpk= 20, iat=1834,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 HIS HN 102 HIS HB2 5.5 (# 2446:20 Unique)
&rst
ixpk= 2446, nxpk= 20, iat=1523,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 HIS HA 102 HIS HB2 5.5 (# 2447:20 Unique)
&rst
ixpk= 2447, nxpk= 20, iat=1525,1527, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 TRP HB+ 102 HIS HB2 4.5 (# 2448:20 Unique)
&rst
ixpk= 2448, nxpk= 20, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1821,1822,
&end
#
# 90 VAL MGX 102 HIS HB2 5.5 (# 2449:20 Unique)
&rst
ixpk= 2449, nxpk= 20, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 97 TYR HE 53 HIS HB- 5.5 (# 2450:20 Unique)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1464,1469,
igr2= 808, 809,
&end
#
# 97 TYR HD 53 HIS HB- 7.0 (# 2451:20 Unique)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1462,1471,
igr2= 808, 809,
&end
#
# 97 TYR HE 53 HIS HB+ 5.5 (# 2452:20 Unique)
&rst
ixpk= 2452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1464,1469,
igr2= 808, 809,
&end
#
# 87 LYS HA 117 GLU HB+ 5.5 (# 2453:20 Unique)
&rst
ixpk= 2453, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1776,1777,
&end
#
# 12 VAL MGY 109 ILE HG1+ 5.5 (# 2454:20 Unique)
&rst
ixpk= 2454, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 168, 169, 170, 172, 173, 174,
igr2=1641,1642,
&end
#
# 87 LYS HD- 117 GLU HB- 5.5 (# 2455:20 Unique)
&rst
ixpk= 2455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1303,1304,
igr2=1776,1777,
&end
#
# 87 LYS HD+ 117 GLU HB- 5.5 (# 2456:20 Unique)
&rst
ixpk= 2456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1303,1304,
igr2=1776,1777,
&end
#
# 119 THR MG2 117 GLU HB- 5.5 (# 2457:20 Unique)
&rst
ixpk= 2457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1809,1810,1811,
igr2=1776,1777,
&end
#
# 0 AMB 20-2:2458 0 AMB 20-1:2458 5.5 (# 2458:20 Double)
&rst
ixpk= 2458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 762, 763, 764,1793,1794,1795,1797,1798,1799,
igr2= 772, 773,1776,1777,
&end
#
# 109 ILE HN 109 ILE HG1- 5.5 (# 2459:20 Unique)
&rst
ixpk= 2459, nxpk= 20, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1641,1642,
&end
#
# 109 ILE HA 109 ILE HG1+ 5.5 (# 2460:20 Unique)
&rst
ixpk= 2460, nxpk= 20, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1641,1642,
&end
#
# 90 VAL MGX 79 ILE HG1- 5.5 (# 2461:20 Unique)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1357,1358,1359,1361,1362,1363,
igr2=1177,1178,
&end
#
# 90 VAL MGY 79 ILE HG1- 7.0 (# 2462:20 Unique)
&rst
ixpk= 2462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1357,1358,1359,1361,1362,1363,
igr2=1177,1178,
&end
#
# 56 ILE HB 56 ILE HG1+ 5.5 (# 2463:20 Unique)
&rst
ixpk= 2463, nxpk= 20, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 853, 854,
&end
#
# 79 ILE HA 79 ILE HG1+ 5.5 (# 2464:20 Unique)
&rst
ixpk= 2464, nxpk= 20, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1177,1178,
&end
#
# 49 TRP HD1 49 TRP HB- 4.5 (# 2465:20 Unique)
&rst
ixpk= 2465, nxpk= 20, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 738, 739,
&end
#
# 49 TRP HE3 49 TRP HB- 5.5 (# 2466:20 Unique)
&rst
ixpk= 2466, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 738, 739,
&end
#
# 0 AMB 20-2:2468 0 AMB 20-1:2468 5.5 (# 2468:20 Double)
&rst
ixpk= 2468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
igr1=1676,1677,1678,1560,1561,1619,1620,
igr2=1598,1599,1598,1599,1598,1599,
&end
#
# 49 TRP HE3 49 TRP HB+ 4.5 (# 2469:20 Unique)
&rst
ixpk= 2469, nxpk= 20, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 738, 739,
&end
#
# 0 AMB 20-2:2470 65 GLN HB3 5.5 (# 2470:20 Single)
&rst
ixpk= 2470, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 999,1038,1039,
&end
#
# 62 GLY HA+ 65 GLN HB3 5.5 (# 2471:20 Unique)
&rst
ixpk= 2471, nxpk= 20, iat= -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 947,
&end
#
# 62 GLY HA+ 65 GLN HB2 5.5 (# 2472:20 Unique)
&rst
ixpk= 2472, nxpk= 20, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 946, 947,
&end
#
# 0 AMB 20-2:2473 65 GLN HB2 5.5 (# 2473:20 Single)
&rst
ixpk= 2473, nxpk= 20, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 999, 935,
&end
#
# 65 GLN HB2 66 LYS HB+ 5.5 (# 2475:20 Unique)
&rst
ixpk= 2475, nxpk= 20, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1001,1002,
&end
#
# 64 MET HN 65 GLN HB3 7.0 (# 2476:20 Unique)
&rst
ixpk= 2476, nxpk= 20, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 64 MET HN 65 GLN HB2 5.5 (# 2477:20 Unique)
&rst
ixpk= 2477, nxpk= 20, iat= 963, 984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR HE 25 ILE HG1+ 7.0 (# 2478:20 Unique)
&rst
ixpk= 2478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 872, 877,
igr2= 375, 376,
&end
#
# 78 ARG HA 78 ARG HG+ 7.0 (# 2479:20 Unique)
&rst
ixpk= 2479, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1150,1151,
&end
#
# 78 ARG HA 78 ARG HG- 5.5 (# 2480:20 Unique)
&rst
ixpk= 2480, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1150,1151,
&end
#
# 108 LYS HE- 108 LYS HD- 3.5 (# 2481:20 Unique)
&rst
ixpk= 2481, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1622,1623,
igr2=1619,1620,
&end
#
# 89 HIS HB+ 87 LYS HD- 5.5 (# 2482:20 Unique)
&rst
ixpk= 2482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1338,1339,
igr2=1303,1304,
&end
#
# 87 LYS HG+ 87 LYS HD+ 3.5 (# 2483:20 Unique)
&rst
ixpk= 2483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1300,1301,
igr2=1303,1304,
&end
#
# 87 LYS HG+ 87 LYS HD- 2.8 (# 2484:20 Unique)
&rst
ixpk= 2484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1300,1301,
igr2=1303,1304,
&end
#
# 87 LYS HG- 87 LYS HD+ 3.5 (# 2485:20 Unique)
&rst
ixpk= 2485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1300,1301,
igr2=1303,1304,
&end
#
# 87 LYS HG- 87 LYS HD- 2.8 (# 2486:20 Unique)
&rst
ixpk= 2486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1300,1301,
igr2=1303,1304,
&end
#
# 106 THR HN 107 GLU HB+ 5.5 (# 2487:20 Unique)
&rst
ixpk= 2487, nxpk= 20, iat=1580, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1598,1599,
&end
#
# 57 TYR HE 73 CYS HB- 5.5 (# 2488:20 Unique)
&rst
ixpk= 2488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 872, 877,
igr2=1096,1097,
&end
#
# 74 LEU HN 73 CYS HB+ 5.5 (# 2489:20 Unique)
&rst
ixpk= 2489, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1096,1097,
&end
#
# 97 TYR HD 73 CYS HB+ 5.5 (# 2490:20 Unique)
&rst
ixpk= 2490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1462,1471,
igr2=1096,1097,
&end
#
# 57 TYR HE 73 CYS HB+ 7.0 (# 2491:20 Unique)
&rst
ixpk= 2491, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 872, 877,
igr2=1096,1097,
&end
#
# 99 PRO HA 99 PRO HG- 7.0 (# 2492:20 Unique)
&rst
ixpk= 2492, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1486,1487,
&end
#
# 5 ASP HB- 8 LEU HG 5.5 (# 2493:20 Unique)
&rst
ixpk= 2493, nxpk= 20, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 61, 62,
&end
#
# 43 ILE HN 43 ILE HG1- 5.5 (# 2494:20 Unique)
&rst
ixpk= 2494, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 635, 636,
&end
#
# 43 ILE HN 43 ILE HG1+ 5.5 (# 2495:20 Unique)
&rst
ixpk= 2495, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 635, 636,
&end
#
# 26 ARG HA 0 AMB 20-1:2496 5.5 (# 2496:20 Single)
&rst
ixpk= 2496, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1112,1113,1114,1116,1117,1118, 355, 356, 357, 359,
360, 361,
&end
#
# 108 LYS HB2 108 LYS HG+ 3.5 (# 2497:20 Unique)
&rst
ixpk= 2497, nxpk= 20, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1616,1617,
&end
#
# 104 ILE QG2 108 LYS HG+ 4.5 (# 2498:20 Unique)
&rst
ixpk= 2498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1556,1557,1558,
igr2=1616,1617,
&end
#
# 117 GLU HB+ 87 LYS HG- 4.5 (# 2500:20 Unique)
&rst
ixpk= 2500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1776,1777,
igr2=1300,1301,
&end
#
# 87 LYS HB+ 87 LYS HG- 4.5 (# 2503:20 Unique)
&rst
ixpk= 2503, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1297,1298,
igr2=1300,1301,
&end
#
# 60 VAL MGY 59 LYS HG+ 4.5 (# 2504:20 Unique)
&rst
ixpk= 2504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 902, 903,
&end
#
# 108 LYS HE- 108 LYS HG- 5.5 (# 2505:20 Unique)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1622,1623,
igr2=1616,1617,
&end
#
# 0 AMB 20-2:2506 108 LYS HG- 4.5 (# 2506:20 Single)
&rst
ixpk= 2506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1556,1557,1558, 650, 651, 652, 654, 655, 656,
igr2=1616,1617,
&end
#
# 60 VAL HN 59 LYS HG+ 5.5 (# 2507:20 Unique)
&rst
ixpk= 2507, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 902, 903,
&end
#
# 26 ARG HD+ 74 LEU MDX 5.5 (# 2509:20 Unique)
&rst
ixpk= 2509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 394, 395,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 102 HIS HD2 24 LEU MDX 5.5 (# 2510:20 Unique)
&rst
ixpk= 2510, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 112 LYS HN 112 LYS HG+ 7.0 (# 2511:20 Unique)
&rst
ixpk= 2511, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1689,1690,
&end
#
# 87 LYS HA 87 LYS HG- 5.5 (# 2512:20 Unique)
&rst
ixpk= 2512, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1300,1301,
&end
#
# 39 GLU HB+ 6 LEU MDY 5.5 (# 2513:20 Unique)
&rst
ixpk= 2513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 566, 567,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 41 LYS HN 6 LEU MDY 5.5 (# 2514:20 Unique)
&rst
ixpk= 2514, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDY 40 SER HN 7.0 (# 2515:20 Single)
&rst
ixpk= 2515, nxpk= 20, iat= -1, 577, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 6 LEU MDY 7 ALA HN 7.0 (# 2516:20 Single)
&rst
ixpk= 2516, nxpk= 20, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 112 LYS HD- 12 VAL MGY 4.5 (# 2517:20 Unique)
&rst
ixpk= 2517, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1692,1693,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 41 LYS HD+ 41 LYS HG+ 4.5 (# 2518:20 Unique)
&rst
ixpk= 2518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 598, 599,
igr2= 595, 596,
&end
#
# 6 LEU MDX 41 LYS HG+ 3.5 (# 2519:20 Unique)
&rst
ixpk= 2519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 78, 79, 80, 82, 83, 84,
igr2= 595, 596,
&end
#
# 105 SER HN 24 LEU MDY 7.0 (# 2521:20 Unique)
&rst
ixpk= 2521, nxpk= 20, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 0 AMB 20-2:2522 60 VAL MGX 5.5 (# 2522:20 Single)
&rst
ixpk= 2522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 956,1070,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 60 VAL MGX 57 TYR HB- 5.5 (# 2523:20 Unique)
&rst
ixpk= 2523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 923, 924, 925, 927, 928, 929,
igr2= 866, 867,
&end
#
# 0 AMB 20-2:2524 74 LEU MDY 5.5 (# 2524:20 Single)
&rst
ixpk= 2524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 394, 395, 394, 395,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 0 AMB 20-2:2525 90 VAL MGY 5.5 (# 2525:20 Single)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1821,1822, 313, 314,
igr2=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 20-2:2526 44 VAL MGX 5.5 (# 2526:20 Single)
&rst
ixpk= 2526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 627, 662,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 105 SER HB3 44 VAL MGX 5.5 (# 2527:20 Unique)
&rst
ixpk= 2527, nxpk= 20, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 105 SER HA 44 VAL MGX 7.0 (# 2528:20 Unique)
&rst
ixpk= 2528, nxpk= 20, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 109 ILE QD1 44 VAL MGX 3.5 (# 2529:20 Unique)
&rst
ixpk= 2529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1644,1645,1646,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 26 ARG HN 74 LEU MDY 5.5 (# 2531:20 Unique)
&rst
ixpk= 2531, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 102 HIS HD2 44 VAL MGY 5.5 (# 2532:20 Unique)
&rst
ixpk= 2532, nxpk= 20, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 108 LYS HN 44 VAL MGY 5.5 (# 2533:20 Unique)
&rst
ixpk= 2533, nxpk= 20, iat=1609, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 91 TYR HE 19 VAL MGX 5.5 (# 2534:20 Unique)
&rst
ixpk= 2534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1377,1382,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 91 TYR HD 19 VAL MGY 7.0 (# 2535:20 Unique)
&rst
ixpk= 2535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1375,1384,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 91 TYR HE 19 VAL MGY 7.0 (# 2536:20 Unique)
&rst
ixpk= 2536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1377,1382,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 22 TYR HD 44 VAL MGX 5.5 (# 2537:20 Unique)
&rst
ixpk= 2537, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 317, 326,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 22 TYR HE 44 VAL MGX 5.5 (# 2538:20 Unique)
&rst
ixpk= 2538, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 319, 324,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 12 VAL HA 44 VAL MGX 4.5 (# 2539:20 Unique)
&rst
ixpk= 2539, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 47 TYR HN 50 ALA MB 5.5 (# 2541:20 Unique)
&rst
ixpk= 2541, nxpk= 20, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 762, 763, 764,
&end
#
# 0 AMB 20-2:2542 50 ALA MB 4.5 (# 2542:20 Single)
&rst
ixpk= 2542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 753, 831,
igr2= 762, 763, 764,
&end
#
# 60 VAL HN 56 ILE QG2 7.0 (# 2543:20 Unique)
&rst
ixpk= 2543, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 849, 850, 851,
&end
#
# 22 TYR HA 56 ILE QG2 5.5 (# 2544:20 Unique)
&rst
ixpk= 2544, nxpk= 20, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 0 AMB 20-2:2545 56 ILE QG2 7.0 (# 2545:20 Single)
&rst
ixpk= 2545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 867, 836,
igr2= 849, 850, 851,
&end
#
# 0 AMB 20-2:2546 100 ALA MB 7.0 (# 2546:20 Single)
&rst
ixpk= 2546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1513,1514,1486,1487, 313, 314,
igr2=1500,1501,1502,
&end
#
# 74 LEU HB3 100 ALA MB 7.0 (# 2547:20 Unique)
&rst
ixpk= 2547, nxpk= 20, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1500,1501,1502,
&end
#
# 31 PRO HB+ 35 ALA MB 4.5 (# 2550:20 Unique)
&rst
ixpk= 2550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 469, 470,
igr2= 522, 523, 524,
&end
#
# 37 ALA HN 35 ALA MB 5.5 (# 2553:20 Unique)
&rst
ixpk= 2553, nxpk= 20, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 522, 523, 524,
&end
#
# 110 LYS HN 111 ALA MB 5.5 (# 2554:20 Unique)
&rst
ixpk= 2554, nxpk= 20, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1676,1677,1678,
&end
#
# 0 AMB 20-2:2555 43 ILE QG2 5.5 (# 2555:20 Single)
&rst
ixpk= 2555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 408, 365,
igr2= 631, 632, 633,
&end
#
# 42 GLU HN 43 ILE QG2 7.0 (# 2556:20 Unique)
&rst
ixpk= 2556, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 631, 632, 633,
&end
#
# 0 AMB 20-2:2557 96 ALA MB 5.5 (# 2557:20 Single)
&rst
ixpk= 2557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1431,1432,1458,1459,
igr2=1448,1449,1450,
&end
#
# 104 ILE HA 103 ALA MB 5.5 (# 2558:20 Unique)
&rst
ixpk= 2558, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1544,1545,1546,
&end
#
# 46 GLY HA+ 14 ILE QG2 5.5 (# 2561:20 Unique)
&rst
ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 686, 687,
igr2= 196, 197, 198,
&end
#
# 12 VAL HA 14 ILE QG2 7.0 (# 2562:20 Unique)
&rst
ixpk= 2562, nxpk= 20, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 196, 197, 198,
&end
#
# 41 LYS HE- 9 ILE QG2 5.5 (# 2563:20 Unique)
&rst
ixpk= 2563, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 601, 602,
igr2= 123, 124, 125,
&end
#
# 0 AMB 20-2:2564 9 ILE QG2 5.5 (# 2564:20 Single)
&rst
ixpk= 2564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 635, 636, 74,
igr2= 123, 124, 125,
&end
#
# 0 AMB 20-2:2565 0 AMB 20-1:2565 4.5 (# 2565:20 Double)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 353, 635, 636, 74,1107,
igr2=1556,1557,1558, 123, 124, 125,
&end
#
# 0 AMB 20-2:2566 79 ILE QG2 7.0 (# 2566:20 Single)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1167,1367,
igr2=1173,1174,1175,
&end
#
# 71 CYS HN 25 ILE QG2 5.5 (# 2567:20 Unique)
&rst
ixpk= 2567, nxpk= 20, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 371, 372, 373,
&end
#
# 43 ILE HN 25 ILE QG2 5.5 (# 2568:20 Unique)
&rst
ixpk= 2568, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 371, 372, 373,
&end
#
# 42 GLU HG+ 104 ILE QG2 4.5 (# 2569:20 Unique)
&rst
ixpk= 2569, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 617, 618,
igr2=1556,1557,1558,
&end
#
# 37 ALA MB 29 SER HN 5.5 (# 2571:20 Single)
&rst
ixpk= 2571, nxpk= 20, iat= -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 546, 547, 548,
&end
#
# 31 PRO HG- 35 ALA MB 7.0 (# 2574:20 Single)
&rst
ixpk= 2574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 466, 467,
igr2= 522, 523, 524,
&end
#
# 68 GLY HN 67 GLN HB3 7.0 (# 2575:20 Unique)
&rst
ixpk= 2575, nxpk= 20, iat=1036,1024, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 90 VAL HB 120 TRP HB+ 5.5 (# 2576:20 Unique)
&rst
ixpk= 2576, nxpk= 20, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1821,1822,
&end
#
# 0 AMB 20-2:2577 0 AMB 20-1:2577 5.5 (# 2577:20 Double)
&rst
ixpk= 2577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1527,1058,1059,
igr2=1821,1822, 429,
&end
#
# 28 HIS HD2 28 HIS HB2 7.0 (# 2578:20 Unique)
&rst
ixpk= 2578, nxpk= 20, iat= 437, 428, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 106 THR MG2 90 VAL HB 5.5 (# 2579:20 Unique)
&rst
ixpk= 2579, nxpk= 20, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1586,1587,1588,
&end
#
# 3 VAL HB 4 ALA MB 5.5 (# 2580:20 Unique)
&rst
ixpk= 2580, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 51, 52, 53,
&end
#
# 2 ALA MB 0 AMB 20-1:2581 5.5 (# 2581:20 Single)
&rst
ixpk= 2581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 25, 26, 27,
igr2= 8, 9, 35,
&end
#
# 104 ILE HA 107 GLU HG+ 5.5 (# 2582:20 Unique)
&rst
ixpk= 2582, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 104 ILE HA 107 GLU HG- 5.5 (# 2583:20 Unique)
&rst
ixpk= 2583, nxpk= 20, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1602,
&end
#
# 121 ALA MB 91 TYR HB+ 5.5 (# 2584:20 Unique)
&rst
ixpk= 2584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1845,1846,1847,
igr2=1371,1372,
&end
#
# 94 SER HN 93 TYR HB- 5.5 (# 2585:20 Unique)
&rst
ixpk= 2585, nxpk= 20, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1399,1400,
&end
#
# 11 ASP HN 11 ASP HB+ 5.5 (# 2586:20 Unique)
&rst
ixpk= 2586, nxpk= 20, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 154, 155,
&end
#
# 43 ILE HN 25 ILE HB 5.5 (# 2587:20 Unique)
&rst
ixpk= 2587, nxpk= 20, iat= 625, 369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ILE HG1+ 25 ILE HB 3.5 (# 2588:20 Unique)
&rst
ixpk= 2588, nxpk= 20, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 636,
&end
#
# 43 ILE HG1- 25 ILE HB 3.5 (# 2589:20 Unique)
&rst
ixpk= 2589, nxpk= 20, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 635, 636,
&end
#
# 97 TYR HB- 75 GLY HA- 5.5 (# 2590:20 Unique)
&rst
ixpk= 2590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1458,1459,
igr2=1124,1125,
&end
#
# 97 TYR HB- 75 GLY HA+ 5.5 (# 2591:20 Unique)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1458,1459,
igr2=1124,1125,
&end
#
# 71 CYS HB2 70 ASP HB- 5.5 (# 2593:20 Unique)
&rst
ixpk= 2593, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1058,1059,
&end
#
# 28 HIS HD2 70 ASP HB+ 5.5 (# 2598:20 Unique)
&rst
ixpk= 2598, nxpk= 20, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1058,1059,
&end
#
# 28 HIS HD2 70 ASP HB- 5.5 (# 2599:20 Unique)
&rst
ixpk= 2599, nxpk= 20, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1058,1059,
&end
#
# 70 ASP HB- 28 HIS HN 5.5 (# 2600:20 Unique)
&rst
ixpk= 2600, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1058,1059,
&end
#
# 78 ARG HB+ 78 ARG HD- 5.5 (# 2602:20 Unique)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1147,1148,
igr2=1153,1154,
&end
#
# 25 ILE HA 25 ILE HB 7.0 (# 2603:20 Unique)
&rst
ixpk= 2603, nxpk= 20, iat= 367, 369, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 34 GLY HA+ 35 ALA MB 5.5 (# 2605:20 Double)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 513, 514,
igr2= 522, 523, 524,
&end
#
# 34 GLY HA- 35 ALA MB 5.5 (# 2606:20 Single)
&rst
ixpk= 2606, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 513, 514,
igr2= 522, 523, 524,
&end
#
# 93 TYR HD 92 GLY HA+ 7.0 (# 2607:20 Unique)
&rst
ixpk= 2607, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1403,1412,
igr2=1390,1391,
&end
#
# 0 AMB 20-2:2608 31 PRO HD- 4.5 (# 2608:20 Single)
&rst
ixpk= 2608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 445, 446, 513, 514,
igr2= 463, 464,
&end
#
# 0 AMB 20-2:2609 0 AMB 20-1:2609 3.5 (# 2609:20 Double)
&rst
ixpk= 2609, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 445, 446, 513, 514,
igr2= 463, 464, 463, 464,
&end
#
# 120 TRP HE1 103 ALA HA 4.5 (# 2616:20 Unique)
&rst
ixpk= 2616, nxpk= 20, iat=1827,1542, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 GLU HG+ 72 GLU HA 4.5 (# 2617:20 Unique)
&rst
ixpk= 2617, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1084,1085,
&end
#
# 72 GLU HB+ 72 GLU HA 3.5 (# 2618:20 Unique)
&rst
ixpk= 2618, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1081,1082,
&end
#
# 72 GLU HB- 72 GLU HA 3.5 (# 2619:20 Unique)
&rst
ixpk= 2619, nxpk= 20, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1081,1082,
&end
#
# 73 CYS HN 72 GLU HA 3.5 (# 2620:20 Unique)
&rst
ixpk= 2620, nxpk= 20, iat=1092,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 GLU HN 72 GLU HA 4.5 (# 2621:20 Unique)
&rst
ixpk= 2621, nxpk= 20, iat=1077,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ILE QD1 43 ILE HA 5.5 (# 2622:20 Unique)
&rst
ixpk= 2622, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 638, 639, 640,
&end
#
# 88 ILE HN 88 ILE HA 3.5 (# 2623:20 Unique)
&rst
ixpk= 2623, nxpk= 20, iat=1315,1317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 LYS HD- 88 ILE HA 4.5 (# 2625:20 Unique)
&rst
ixpk= 2625, nxpk= 20, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1303,1304,
&end
#
# 88 ILE QG2 88 ILE HA 4.5 (# 2626:20 Unique)
&rst
ixpk= 2626, nxpk= 20, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1321,1322,1323,
&end
#
# 79 ILE QG2 88 ILE HA 5.5 (# 2627:20 Unique)
&rst
ixpk= 2627, nxpk= 20, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1173,1174,1175,
&end
#
# 109 ILE QG2 88 ILE HA 7.0 (# 2628:20 Unique)
&rst
ixpk= 2628, nxpk= 20, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1637,1638,1639,
&end
#
# 91 TYR HD 90 VAL HA 5.5 (# 2629:20 Unique)
&rst
ixpk= 2629, nxpk= 20, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1375,1384,
&end
#
# 106 THR HN 105 SER HB3 5.5 (# 2630:20 Unique)
&rst
ixpk= 2630, nxpk= 20, iat=1580,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HN 61 SER HA 5.5 (# 2631:20 Unique)
&rst
ixpk= 2631, nxpk= 20, iat= 963, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 MET HG+ 61 SER HA 5.5 (# 2632:20 Unique)
&rst
ixpk= 2632, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 970, 971,
&end
#
# 64 MET HB3 61 SER HA 5.5 (# 2633:20 Unique)
&rst
ixpk= 2633, nxpk= 20, iat= 968, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2634 105 SER HB2 4.5 (# 2634:20 Single)
&rst
ixpk= 2634, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 650, 651, 652, 654, 655, 656, 350, 351,
&end
#
# 105 SER HA 105 SER HB3 3.5 (# 2635:20 Unique)
&rst
ixpk= 2635, nxpk= 20, iat=1571,1574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 ALA HN 99 PRO HA 3.5 (# 2636:20 Unique)
&rst
ixpk= 2636, nxpk= 20, iat=1496,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 SER HN 99 PRO HA 5.5 (# 2637:20 Unique)
&rst
ixpk= 2637, nxpk= 20, iat=1416,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 TYR HA 99 PRO HA 3.5 (# 2638:20 Unique)
&rst
ixpk= 2638, nxpk= 20, iat=1397,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 20-2:2639 99 PRO HA 3.5 (# 2639:20 Single)
&rst
ixpk= 2639, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1489,1490,1399,1400,
&end
#
# 0 AMB 20-2:2640 99 PRO HA 4.5 (# 2640:20 Single)
&rst
ixpk= 2640, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1489,1490,1486,1487,
&end
#
# 100 ALA MB 99 PRO HA 5.5 (# 2641:20 Unique)
&rst
ixpk= 2641, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1500,1501,1502,
&end
#
# 60 VAL HN 57 TYR HA 5.5 (# 2644:20 Unique)
&rst
ixpk= 2644, nxpk= 20, iat= 917, 864, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 SER HN 57 TYR HA 7.0 (# 2645:20 Unique)
&rst
ixpk= 2645, nxpk= 20, iat= 933, 864, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 60 VAL MGY 57 TYR HA 5.5 (# 2646:20 Unique)
&rst
ixpk= 2646, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 29 SER HB+ 39 GLU HB+ 5.5 (# 2647:20 Unique)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 445, 446,
igr2= 566, 567,
&end
#
# 29 SER HB+ 38 ALA MB 5.5 (# 2648:20 Double)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446,
igr2= 556, 557, 558,
&end
#
# 36 PRO HA 36 PRO HD+ 4.5 (# 2649:20 Double)
&rst
ixpk= 2649, nxpk= 20, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 529, 530,
&end
#
# 64 MET HN 60 VAL HA 5.5 (# 2654:20 Unique)
&rst
ixpk= 2654, nxpk= 20, iat= 963, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 SER HN 60 VAL HA 5.5 (# 2655:20 Unique)
&rst
ixpk= 2655, nxpk= 20, iat= 933, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 ASP HN 60 VAL HA 4.5 (# 2656:20 Unique)
&rst
ixpk= 2656, nxpk= 20, iat= 951, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:2657 60 VAL HA 4.5 (# 2657:20 Single)
&rst
ixpk= 2657, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 955, 970, 971,
&end
#
# 60 VAL HB 60 VAL HA 4.5 (# 2658:20 Unique)
&rst
ixpk= 2658, nxpk= 20, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 LYS HG+ 60 VAL HA 5.5 (# 2659:20 Unique)
&rst
ixpk= 2659, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 903,
&end
#
# 12 VAL MGY 109 ILE HA 4.5 (# 2660:20 Unique)
&rst
ixpk= 2660, nxpk= 20, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 168, 169, 170, 172, 173, 174,
&end
#
# 0 AMB 20-2:2661 109 ILE HA 4.5 (# 2661:20 Single)
&rst
ixpk= 2661, nxpk= 20, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1686,1687,1635,
&end
#
# 0 AMB 20-2:2662 109 ILE HA 5.5 (# 2662:20 Single)
&rst
ixpk= 2662, nxpk= 20, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1641,1642, 166,
&end
#
# 112 LYS HN 109 ILE HA 5.5 (# 2663:20 Unique)
&rst
ixpk= 2663, nxpk= 20, iat=1682,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 SER HN 40 SER HB3 4.5 (# 2664:20 Unique)
&rst
ixpk= 2664, nxpk= 20, iat= 577, 582, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 SER HN 40 SER HB3 7.0 (# 2665:20 Unique)
&rst
ixpk= 2665, nxpk= 20, iat= 441, 582, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 40 SER HB3 39 GLU HA 7.0 (# 2666:20 Single)
&rst
ixpk= 2666, nxpk= 20, iat= 582, 564, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 ARG HG+ 40 SER HB3 5.5 (# 2667:20 Unique)
&rst
ixpk= 2667, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 391, 392,
&end
#
# 26 ARG HG- 40 SER HB3 5.5 (# 2668:20 Unique)
&rst
ixpk= 2668, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 391, 392,
&end
#
# 6 LEU MDX 40 SER HB3 5.5 (# 2669:20 Unique)
&rst
ixpk= 2669, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 26 ARG HG+ 40 SER HB2 5.5 (# 2670:20 Unique)
&rst
ixpk= 2670, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 391, 392,
&end
#
# 26 ARG HG- 40 SER HB2 4.5 (# 2671:20 Unique)
&rst
ixpk= 2671, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 391, 392,
&end
#
# 6 LEU MDX 40 SER HB2 5.5 (# 2672:20 Unique)
&rst
ixpk= 2672, nxpk= 20, iat= -1, 581, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80, 82, 83, 84,
&end
#
# 0 AMB 20-2:2673 106 THR HA 7.0 (# 2673:20 Single)
&rst
ixpk= 2673, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1641,1642,1613,
&end
#
# 90 VAL MGY 106 THR HA 5.5 (# 2674:20 Unique)
&rst
ixpk= 2674, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1357,1358,1359,1361,1362,1363,
&end
#
# 0 AMB 20-2:2675 106 THR HA 7.0 (# 2675:20 Single)
&rst
ixpk= 2675, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1357,1358,1359,1361,1362,1363, 650, 651, 652, 654,
655, 656,
&end
#
# 0 AMB 20-2:2676 106 THR HA 5.5 (# 2676:20 Single)
&rst
ixpk= 2676, nxpk= 20, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1637,1638,1639, 650, 651, 652, 654, 655, 656,
&end
#
# 29 SER HB- 38 ALA MB 7.0 (# 2679:20 Single)
&rst
ixpk= 2679, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 445, 446,
igr2= 556, 557, 558,
&end
#
# 0 AMB 20-2:2681 57 TYR HA 4.5 (# 2681:20 Single)
&rst
ixpk= 2681, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
igr1= 849, 850, 851, 336, 337, 338, 340, 341, 342, 923,
924, 925, 927, 928, 929, 375, 376,
&end
#
# 24 LEU MDY 105 SER HB3 7.0 (# 2682:20 Unique)
&rst
ixpk= 2682, nxpk= 20, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 355, 356, 357, 359, 360, 361,
&end
#
# 22 TYR HN 23 VAL HA 5.5 (# 2683:20 Unique)
&rst
ixpk= 2683, nxpk= 20, iat= 309, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HN 65 GLN HA 5.5 (# 2684:20 Unique)
&rst
ixpk= 2684, nxpk= 20, iat=1019, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2686 11 ASP HA 5.5 (# 2686:20 Single)
&rst
ixpk= 2686, nxpk= 20, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 168, 169, 170, 172, 173, 174,1689,1690, 650, 651,
652, 654, 655, 656,
&end
#
# 24 LEU HN 76 GLY HA- 5.5 (# 2689:20 Unique)
&rst
ixpk= 2689, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1131,1132,
&end
#
# 0 AMB 20-2:2692 0 AMB 20-1:2692 3.5 (# 2692:20 Double)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1654,1655,1660,1661,
igr2=1663,1664,1663,1664,
&end
#
# 0 AMB 20-2:2693 0 AMB 20-1:2693 3.5 (# 2693:20 Double)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 595, 596, 414, 415, 416, 418, 419, 420,
igr2= 601, 602, 601, 602,
&end
#
# 0 AMB 20-2:2694 0 AMB 20-1:2694 4.5 (# 2694:20 Double)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
igr1= 168, 169, 170, 172, 173, 174, 762, 763, 764, 355,
356, 357, 359, 360, 361, 292,
igr2=1622,1623, 300, 301,1695,1696,
&end
#
# 0 AMB 20-2:2695 0 AMB 20-1:2695 5.5 (# 2695:20 Double)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 899, 900, 899, 900,
igr2= 908, 909, 908, 909,
&end
#
# 117 GLU HB- 87 LYS HE+ 5.5 (# 2696:20 Unique)
&rst
ixpk= 2696, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1776,1777,
igr2=1306,1307,
&end
#
# 99 PRO HA 93 TYR HB- 5.5 (# 2697:20 Unique)
&rst
ixpk= 2697, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1399,1400,
&end
#
# 26 ARG HB3 74 LEU MDY 5.5 (# 2699:20 Unique)
&rst
ixpk= 2699, nxpk= 20, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 101 GLN HB- 104 ILE HG1+ 7.0 (# 2700:20 Unique)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1510,1511,
igr2=1560,1561,
&end
#
# 24 LEU HN 24 LEU MDX 5.5 (# 2701:20 Unique)
&rst
ixpk= 2701, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 27 VAL MGY 40 SER HA 5.5 (# 2705:20 Double)
&rst
ixpk= 2705, nxpk= 20, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 414, 415, 416, 418, 419, 420,
&end
#
# 71 CYS HA 27 VAL MGY 5.5 (# 2706:20 Unique)
&rst
ixpk= 2706, nxpk= 20, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 19 VAL HN 19 VAL MGX 5.5 (# 2707:20 Unique)
&rst
ixpk= 2707, nxpk= 20, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 20 PHE HA 19 VAL MGX 5.5 (# 2709:20 Unique)
&rst
ixpk= 2709, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 9 ILE HN 64 MET ME 5.5 (# 2710:20 Unique)
&rst
ixpk= 2710, nxpk= 20, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 49 TRP HZ2 50 ALA MB 7.0 (# 2711:20 Unique)
&rst
ixpk= 2711, nxpk= 20, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 762, 763, 764,
&end
#
# 49 TRP HH2 50 ALA MB 5.5 (# 2712:20 Unique)
&rst
ixpk= 2712, nxpk= 20, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 762, 763, 764,
&end
#
# 74 LEU HG 25 ILE QG2 5.5 (# 2715:20 Unique)
&rst
ixpk= 2715, nxpk= 20, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 371, 372, 373,
&end
#
# 108 LYS HG- 104 ILE QG2 4.5 (# 2716:20 Unique)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1616,1617,
igr2=1556,1557,1558,
&end
#
# 61 SER HN 25 ILE QD1 5.5 (# 2717:20 Unique)
&rst
ixpk= 2717, nxpk= 20, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 378, 379, 380,
&end
#
# 0 AMB 20-2:2718 9 ILE QD1 7.0 (# 2718:20 Single)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1= 445, 446, 90,
igr2= 130, 131, 132,
&end
#
# 101 GLN HE2- 104 ILE QD1 7.0 (# 2720:20 Unique)
&rst
ixpk= 2720, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1518,1519,
igr2=1563,1564,1565,
&end
#
# 88 ILE HN 118 VAL HA 5.5 (# 2721:20 Unique)
&rst
ixpk= 2721, nxpk= 20, iat=1315,1789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2722 43 ILE HA 4.5 (# 2722:20 Single)
&rst
ixpk= 2722, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 650, 651, 652, 654, 655, 656, 168, 169, 170, 172,
173, 174,
&end
#
# 0 AMB 20-2:2723 43 ILE HA 5.5 (# 2723:20 Single)
&rst
ixpk= 2723, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 635, 636, 595, 596,
&end
#
# 0 AMB 20-2:2724 0 AMB 20-1:2724 5.5 (# 2724:20 Double)
&rst
ixpk= 2724, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 200, 201, 76,
igr2= 192, 579,
&end
#
# 45 ARG HB2 45 ARG HA 5.5 (# 2725:20 Unique)
&rst
ixpk= 2725, nxpk= 20, iat= 664, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 PRO HB+ 99 PRO HD- 5.5 (# 2726:20 Unique)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1489,1490,
igr2=1483,1484,
&end
#
# 0 AMB 20-2:2727 105 SER HB2 5.5 (# 2727:20 Single)
&rst
ixpk= 2727, nxpk= 20, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 355, 356, 357, 359, 360, 361,1500,1501,1502,1556,
1557,1558,
&end
#
# 52 TYR HA 52 TYR HB+ 5.5 (# 2728:20 Unique)
&rst
ixpk= 2728, nxpk= 20, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 787, 788,
&end
#
# 43 ILE QD1 45 ARG HG- 7.0 (# 2729:20 Unique)
&rst
ixpk= 2729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 638, 639, 640,
igr2= 667, 668,
&end
#
# 10 PRO HA 10 PRO HD- 4.5 (# 2731:20 Unique)
&rst
ixpk= 2731, nxpk= 20, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 137, 138,
&end
#
# 0 AMB 20-2:2733 40 SER HB3 4.5 (# 2733:20 Single)
&rst
ixpk= 2733, nxpk= 20, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 394, 395, 394, 395,
&end
#
# 71 CYS HB2 61 SER HB+ 5.5 (# 2734:20 Unique)
&rst
ixpk= 2734, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 937, 938,
&end
#
# 71 CYS HB2 61 SER HB- 7.0 (# 2735:20 Unique)
&rst
ixpk= 2735, nxpk= 20, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 937, 938,
&end
#
# 0 AMB 20-2:2736 0 AMB 20-1:2736 3.5 (# 2736:20 Double)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 78, 79, 80, 82, 83, 84,1112,1113,1114,1116,
1117,1118,
igr2= 74,1107,
&end
#
# 41 LYS HG- 6 LEU HB3 5.5 (# 2737:20 Unique)
&rst
ixpk= 2737, nxpk= 20, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 595, 596,
&end
#
# 0 AMB 20-2:2739 43 ILE HA 7.0 (# 2739:20 Single)
&rst
ixpk= 2739, nxpk= 20, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1619,1620, 667, 668,1614,
&end
#
# 0 AMB 20-2:2743 42 GLU HG- 4.5 (# 2743:20 Single)
&rst
ixpk= 2743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 389,1108,
igr2= 617, 618,
&end
#
# 42 GLU HG- 24 LEU MDY 3.5 (# 2744:20 Single)
&rst
ixpk= 2744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 617, 618,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 125 TYR HA 92 GLY HA- 4.5 (# 2745:20 Unique)
&rst
ixpk= 2745, nxpk= 20, iat=1886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1390,1391,
&end
#
# 56 ILE HG1+ 23 VAL MGX 5.5 (# 2750:20 Unique)
&rst
ixpk= 2750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 853, 854,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 108 LYS HD+ 108 LYS HG- 3.5 (# 2751:20 Unique)
&rst
ixpk= 2751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1619,1620,
igr2=1616,1617,
&end
#
# 0 AMB 20-2:2753 0 AMB 20-1:2753 5.5 (# 2753:20 Double)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1596, 946, 947,
igr2=1657,1658,1004,1005,
&end
#
# 31 PRO HD- 29 SER HB+ 2.8 (# 2754:20 Unique)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 463, 464,
igr2= 445, 446,
&end
#
# 51 GLU HB- 51 GLU HG- 2.8 (# 2756:20 Unique)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 772, 773,
igr2= 775, 776,
&end
#
# 106 THR MG2 118 VAL HB 4.5 (# 2758:20 Unique)
&rst
ixpk= 2758, nxpk= 20, iat= -1,1791, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1586,1587,1588,
&end
#
# 0 AMB 20-2:2759 121 ALA MB 4.5 (# 2759:20 Single)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1855,1856,1821,1822,
igr2=1845,1846,1847,
&end
#
# 0 AMB 20-2:2760 74 LEU MDY 4.5 (# 2760:20 Single)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 617, 618, 614, 615,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 0 AMB 20-2:2761 0 AMB 20-1:2761 3.5 (# 2761:20 Double)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 391, 392, 378, 379, 380,
igr2= 388, 921,
&end
#
# 108 LYS HG+ 108 LYS HB2 4.5 (# 2763:20 Unique)
&rst
ixpk= 2763, nxpk= 20, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1616,1617,
&end
#
# 108 LYS HD+ 108 LYS HB2 5.5 (# 2764:20 Unique)
&rst
ixpk= 2764, nxpk= 20, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1619,1620,
&end
#
# 101 GLN HG- 104 ILE HG1+ 5.5 (# 2765:20 Unique)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1513,1514,
igr2=1560,1561,
&end
#
# 0 AMB 20-2:2766 60 VAL HA 7.0 (# 2766:20 Single)
&rst
ixpk= 2766, nxpk= 20, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 667, 668, 905, 906, 905, 906, 968,
&end
#
# 38 ALA MB 28 HIS HB3 5.5 (# 2769:20 Unique)
&rst
ixpk= 2769, nxpk= 20, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 556, 557, 558,
&end
#
# 110 LYS HE- 110 LYS HG- 5.5 (# 2770:20 Unique)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1663,1664,
igr2=1657,1658,
&end
#
# 44 VAL MGX 109 ILE QD1 2.8 (# 2772:20 Unique)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 650, 651, 652, 654, 655, 656,
igr2=1644,1645,1646,
&end
#
# 120 TRP HN 119 THR HB 2.8 (# 2773:20 Unique)
&rst
ixpk= 2773, nxpk= 20, iat=1817,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 89 HIS HE1 119 THR HB 5.5 (# 2774:20 Unique)
&rst
ixpk= 2774, nxpk= 20, iat=1344,1807, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 THR MG2 119 THR HB 2.8 (# 2775:20 Unique)
&rst
ixpk= 2775, nxpk= 20, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1809,1810,1811,
&end
#
# 119 THR HA 119 THR HB 2.8 (# 2776:20 Unique)
&rst
ixpk= 2776, nxpk= 20, iat=1805,1807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 20-2:2778 125 TYR HA 5.5 (# 2778:20 Single)
&rst
ixpk= 2778, nxpk= 20, iat= -1,1886, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1395,1388,
&end
#
# 79 ILE HG1+ 22 TYR HB+ 7.0 (# 2779:20 Unique)
&rst
ixpk= 2779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1177,1178,
igr2= 313, 314,
&end
#
# 79 ILE HG1+ 22 TYR HB- 5.5 (# 2780:20 Unique)
&rst
ixpk= 2780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1177,1178,
igr2= 313, 314,
&end
#
# 0 AMB 20-2:2781 22 TYR HB- 7.0 (# 2781:20 Single)
&rst
ixpk= 2781, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1= 196, 197, 198, 650, 651, 652, 654, 655, 656,
igr2= 313, 314,
&end
#
# 10 PRO HB- 10 PRO HD- 5.5 (# 2783:20 Unique)
&rst
ixpk= 2783, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 143, 144,
igr2= 137, 138,
&end
#
# 36 PRO HD- 36 PRO HG+ 2.8 (# 2784:20 Double)
&rst
ixpk= 2784, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 529, 530,
igr2= 532, 533,
&end
#
# 60 VAL MGX 61 SER HA 4.5 (# 2785:20 Unique)
&rst
ixpk= 2785, nxpk= 20, iat= -1, 935, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 923, 924, 925, 927, 928, 929,
&end
#
# 105 SER HB2 44 VAL MGY 4.5 (# 2786:20 Unique)
&rst
ixpk= 2786, nxpk= 20, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 650, 651, 652, 654, 655, 656,
&end
#
# 45 ARG HG- 57 TYR HA 5.5 (# 2788:20 Unique)
&rst
ixpk= 2788, nxpk= 20, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 667, 668,
&end
#
# 0 AMB 20-2:2789 61 SER HB- 5.5 (# 2789:20 Single)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 923, 924, 925, 927, 928, 929, 371, 372, 373,
igr2= 937, 938,
&end
#
# 93 TYR HB+ 99 PRO HA 5.5 (# 2790:20 Unique)
&rst
ixpk= 2790, nxpk= 20, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1399,1400,
&end
#
# 68 GLY HN 66 LYS HA 5.5 (# 2792:20 Unique)
&rst
ixpk= 2792, nxpk= 20, iat=1036, 999, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 44 VAL HA 4.5 (# 2793:20 Unique)
&rst
ixpk= 2793, nxpk= 20, iat= 644, 646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 GLN HN 82 GLN HA 5.5 (# 2794:20 Unique)
&rst
ixpk= 2794, nxpk= 20, iat=1214,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY HN 61 SER HA 7.0 (# 2796:20 Unique)
&rst
ixpk= 2796, nxpk= 20, iat= 944, 935, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 110 LYS HN 110 LYS HA 5.5 (# 2797:20 Unique)
&rst
ixpk= 2797, nxpk= 20, iat=1650,1652, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 TYR HN 97 TYR HA 5.5 (# 2799:20 Unique)
&rst
ixpk= 2799, nxpk= 20, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 PHE HN 20 PHE HA 5.5 (# 2800:20 Unique)
&rst
ixpk= 2800, nxpk= 20, iat= 267, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2801 100 ALA HA 7.0 (# 2801:20 Single)
&rst
ixpk= 2801, nxpk= 20, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr1=1122,1533, 319, 324,1136,
&end
#
# 105 SER HA 105 SER HB2 4.5 (# 2803:20 Unique)
&rst
ixpk= 2803, nxpk= 20, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 SER HA 105 SER HB2 5.5 (# 2804:20 Unique)
&rst
ixpk= 2804, nxpk= 20, iat=1571,1573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2805 107 GLU HA 3.5 (# 2805:20 Single)
&rst
ixpk= 2805, nxpk= 20, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1654,1655,1660,1661,
&end
#
# 118 VAL HB 107 GLU HA 5.5 (# 2806:20 Unique)
&rst
ixpk= 2806, nxpk= 20, iat=1791,1596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LYS HG- 66 LYS HA 3.5 (# 2807:20 Unique)
&rst
ixpk= 2807, nxpk= 20, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1004,1005,
&end
#
# 64 MET HA 27 VAL MGY 5.5 (# 2810:20 Unique)
&rst
ixpk= 2810, nxpk= 20, iat= 965, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 414, 415, 416, 418, 419, 420,
&end
#
# 121 ALA HA 120 TRP HB+ 5.5 (# 2811:20 Unique)
&rst
ixpk= 2811, nxpk= 20, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1821,1822,
&end
#
# 0 AMB 20-2:2812 37 ALA HA 7.0 (# 2812:20 Single)
&rst
ixpk= 2812, nxpk= 20, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 566, 567, 466, 467,
&end
#
# 14 ILE QG2 46 GLY HA+ 5.5 (# 2813:20 Unique)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 196, 197, 198,
igr2= 686, 687,
&end
#
# 40 SER HN 40 SER HB2 5.5 (# 2814:20 Unique)
&rst
ixpk= 2814, nxpk= 20, iat= 577, 581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 TYR HE 61 SER HB+ 5.5 (# 2815:20 Unique)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 872, 877,
igr2= 937, 938,
&end
#
# 57 TYR HE 61 SER HB- 7.0 (# 2816:20 Unique)
&rst
ixpk= 2816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 872, 877,
igr2= 937, 938,
&end
#
# 24 LEU HA 105 SER HB3 5.5 (# 2817:20 Unique)
&rst
ixpk= 2817, nxpk= 20, iat= 348,1574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 HIS HD2 105 SER HB3 7.0 (# 2818:20 Unique)
&rst
ixpk= 2818, nxpk= 20, iat=1536,1574, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 24 LEU HA 105 SER HB2 7.0 (# 2819:20 Unique)
&rst
ixpk= 2819, nxpk= 20, iat= 348,1573, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 107 GLU HN 103 ALA HA 7.0 (# 2820:20 Unique)
&rst
ixpk= 2820, nxpk= 20, iat=1594,1542, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2827 0 AMB 20-1:2827 7.0 (# 2827:20 Double)
&rst
ixpk= 2827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1= 386, 426,
igr2= 394, 395, 394, 395,
&end
#
# 0 AMB 20-2:2828 26 ARG HD- 5.5 (# 2828:20 Single)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 386, 426,
igr2= 394, 395,
&end
#
# 28 HIS HE1 26 ARG HD- 5.5 (# 2829:20 Unique)
&rst
ixpk= 2829, nxpk= 20, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 394, 395,
&end
#
# 26 ARG HE 26 ARG HD- 7.0 (# 2830:20 Unique)
&rst
ixpk= 2830, nxpk= 20, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 394, 395,
&end
#
# 14 ILE HA 14 ILE HB 5.5 (# 2831:20 Unique)
&rst
ixpk= 2831, nxpk= 20, iat= 192, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR HN 55 ASP HB2 7.0 (# 2834:20 Unique)
&rst
ixpk= 2834, nxpk= 20, iat= 783, 835, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 52 TYR HN 55 ASP HB3 5.5 (# 2835:20 Unique)
&rst
ixpk= 2835, nxpk= 20, iat= 783, 836, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 LEU HN 74 LEU HB2 5.5 (# 2836:20 Unique)
&rst
ixpk= 2836, nxpk= 20, iat=1103,1107, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 PHE HA 20 PHE HB+ 5.5 (# 2837:20 Unique)
&rst
ixpk= 2837, nxpk= 20, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 271, 272,
&end
#
# 98 GLY HN 97 TYR HB- 7.0 (# 2838:20 Unique)
&rst
ixpk= 2838, nxpk= 20, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1458,1459,
&end
#
# 76 GLY HN 97 TYR HB+ 7.0 (# 2839:20 Unique)
&rst
ixpk= 2839, nxpk= 20, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1458,1459,
&end
#
# 57 TYR HE 57 TYR HB2 5.5 (# 2840:20 Unique)
&rst
ixpk= 2840, nxpk= 20, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 872, 877,
&end
#
# 123 ASP HN 122 ASN HB+ 7.0 (# 2841:20 Unique)
&rst
ixpk= 2841, nxpk= 20, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1855,1856,
&end
#
# 26 ARG HN 42 GLU HG+ 5.5 (# 2842:20 Unique)
&rst
ixpk= 2842, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 617, 618,
&end
#
# 43 ILE HN 42 GLU HG- 5.5 (# 2843:20 Unique)
&rst
ixpk= 2843, nxpk= 20, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 617, 618,
&end
#
# 88 ILE HN 87 LYS HB+ 5.5 (# 2844:20 Unique)
&rst
ixpk= 2844, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1297,1298,
&end
#
# 88 ILE HN 87 LYS HB- 7.0 (# 2845:20 Unique)
&rst
ixpk= 2845, nxpk= 20, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1297,1298,
&end
#
# 26 ARG HN 72 GLU HG- 5.5 (# 2846:20 Unique)
&rst
ixpk= 2846, nxpk= 20, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1084,1085,
&end
#
# 0 AMB 20-2:2847 0 AMB 20-1:2847 7.0 (# 2847:20 Double)
&rst
ixpk= 2847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1092, 384,
igr2=1084,1085,1084,1085,
&end
#
# 52 TYR HN 51 GLU HG+ 5.5 (# 2848:20 Unique)
&rst
ixpk= 2848, nxpk= 20, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 775, 776,
&end
#
# 41 LYS HN 41 LYS HB+ 5.5 (# 2849:20 Unique)
&rst
ixpk= 2849, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 41 LYS HN 41 LYS HB- 7.0 (# 2850:20 Unique)
&rst
ixpk= 2850, nxpk= 20, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 592, 593,
&end
#
# 101 GLN HE2- 101 GLN HG- 5.5 (# 2851:20 Unique)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1518,1519,
igr2=1513,1514,
&end
#
# 0 AMB 20-2:2852 0 AMB 20-1:2852 5.5 (# 2852:20 Double)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 441, 69,
igr2= 566, 567, 566, 567,
&end
#
# 118 VAL HN 117 GLU HB- 5.5 (# 2853:20 Unique)
&rst
ixpk= 2853, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1776,1777,
&end
#
# 52 TYR HE 51 GLU HB+ 7.0 (# 2854:20 Unique)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 793, 798,
igr2= 772, 773,
&end
#
# 28 HIS HN 69 CYS HB3 7.0 (# 2855:20 Unique)
&rst
ixpk= 2855, nxpk= 20, iat= 424,1048, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 SER HN 104 ILE HG1- 5.5 (# 2856:20 Unique)
&rst
ixpk= 2856, nxpk= 20, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1560,1561,
&end
#
# 103 ALA HN 101 GLN HB+ 5.5 (# 2857:20 Unique)
&rst
ixpk= 2857, nxpk= 20, iat=1540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1510,1511,
&end
#
# 64 MET HN 60 VAL MGY 7.0 (# 2858:20 Unique)
&rst
ixpk= 2858, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 0 AMB 20-2:2859 60 VAL MGY 7.0 (# 2859:20 Single)
&rst
ixpk= 2859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 862, 951,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 118 VAL HN 106 THR MG2 7.0 (# 2860:20 Unique)
&rst
ixpk= 2860, nxpk= 20, iat=1787, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1586,1587,1588,
&end
#
# 87 LYS HA 117 GLU HB- 5.5 (# 2861:20 Unique)
&rst
ixpk= 2861, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1776,1777,
&end
#
# 99 PRO HA 99 PRO HB+ 4.5 (# 2863:20 Unique)
&rst
ixpk= 2863, nxpk= 20, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1489,1490,
&end
#
# 29 SER HN 28 HIS HB2 5.5 (# 2864:20 Unique)
&rst
ixpk= 2864, nxpk= 20, iat= 441, 428, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 VAL HA 118 VAL HB 7.0 (# 2865:20 Unique)
&rst
ixpk= 2865, nxpk= 20, iat=1789,1791, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 24 LEU HN 24 LEU MDY 5.5 (# 2866:20 Unique)
&rst
ixpk= 2866, nxpk= 20, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 355, 356, 357, 359, 360, 361,
&end
#
# 74 LEU HN 23 VAL MGX 7.0 (# 2869:20 Unique)
&rst
ixpk= 2869, nxpk= 20, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 71 CYS HA 25 ILE QG2 4.5 (# 2870:20 Unique)
&rst
ixpk= 2870, nxpk= 20, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 371, 372, 373,
&end
#
# 65 GLN HN 64 MET ME 7.0 (# 2871:20 Unique)
&rst
ixpk= 2871, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 974, 975, 976,
&end
#
# 29 SER HB+ 37 ALA MB 5.5 (# 2872:20 Unique)
&rst
ixpk= 2872, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 445, 446,
igr2= 546, 547, 548,
&end
#
# 0 AMB 20-2:2873 60 VAL MGY 4.5 (# 2873:20 Single)
&rst
ixpk= 2873, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 899, 900, 899, 900,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 64 MET HG+ 60 VAL MGY 7.0 (# 2874:20 Unique)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 970, 971,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 102 HIS HB3 106 THR MG2 7.0 (# 2875:20 Unique)
&rst
ixpk= 2875, nxpk= 20, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1586,1587,1588,
&end
#
# 0 AMB 20-2:2876 60 VAL MGY 7.0 (# 2876:20 Single)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 956,1070,
igr2= 923, 924, 925, 927, 928, 929,
&end
#
# 112 LYS HN 12 VAL MGX 5.5 (# 2878:20 Unique)
&rst
ixpk= 2878, nxpk= 20, iat=1682, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 168, 169, 170, 172, 173, 174,
&end
#
# 26 ARG HE 74 LEU MDX 5.5 (# 2879:20 Unique)
&rst
ixpk= 2879, nxpk= 20, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1112,1113,1114,1116,1117,1118,
&end
#
# 67 GLN HN 66 LYS HG+ 5.5 (# 2880:20 Unique)
&rst
ixpk= 2880, nxpk= 20, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1004,1005,
&end
#
# 67 GLN HG+ 66 LYS HG+ 5.5 (# 2881:20 Unique)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1026,1027,
igr2=1004,1005,
&end
#
# 108 LYS HE+ 108 LYS HG+ 5.5 (# 2884:20 Unique)
&rst
ixpk= 2884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1622,1623,
igr2=1616,1617,
&end
#
# 117 GLU HG+ 87 LYS HG- 7.0 (# 2885:20 Unique)
&rst
ixpk= 2885, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1779,1780,
igr2=1300,1301,
&end
#
# 43 ILE QG2 43 ILE HG1+ 3.5 (# 2886:20 Unique)
&rst
ixpk= 2886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632, 633,
igr2= 635, 636,
&end
#
# 73 CYS HA 74 LEU HG 5.5 (# 2887:20 Unique)
&rst
ixpk= 2887, nxpk= 20, iat=1094,1110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 20-2:2888 0 AMB 20-1:2888 7.0 (# 2888:20 Double)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=13.34, r4=13.84,
igr1= 336, 337, 338, 340, 341, 342, 336, 337, 338, 340,
341, 342,
igr2=1096,1097,1096,1097,
&end
#
# 24 LEU MDY 101 GLN HB+ 5.5 (# 2890:20 Unique)
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 355, 356, 357, 359, 360, 361,
igr2=1510,1511,
&end
#
# 80 SER HN 80 SER HB+ 7.0 (# 2892:20 Unique)
&rst
ixpk= 2892, nxpk= 20, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1190,1191,
&end
#
# 19 VAL MGY 80 SER HB+ 5.5 (# 2893:20 Unique)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 257, 258, 259, 261, 262, 263,
igr2=1190,1191,
&end
#
# 19 VAL MGX 80 SER HB+ 7.0 (# 2894:20 Unique)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 257, 258, 259, 261, 262, 263,
igr2=1190,1191,
&end
#
# 89 HIS HB- 80 SER HB- 7.0 (# 2895:20 Unique)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1338,1339,
igr2=1190,1191,
&end
#
# 89 HIS HB- 80 SER HB+ 7.0 (# 2896:20 Unique)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1338,1339,
igr2=1190,1191,
&end
#
# 0 AMB 20-2:2897 19 VAL MGX 7.0 (# 2897:20 Single)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1169, 289,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 0 AMB 20-2:2898 19 VAL MGY 7.0 (# 2898:20 Single)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1169, 289,
igr2= 257, 258, 259, 261, 262, 263,
&end
#
# 80 SER HN 90 VAL HA 7.0 (# 2899:20 Unique)
&rst
ixpk= 2899, nxpk= 20, iat=1186,1353, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 0 AMB 20-2:2900 29 SER HA 5.5 (# 2900:20 Single)
&rst
ixpk= 2900, nxpk= 20, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 456, 457, 458, 546, 547, 548,
&end
#
# 109 ILE QD1 118 VAL MGY 5.5 (# 2903:20 Unique)
&rst
ixpk= 2903, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1644,1645,1646,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 108 LYS HA 108 LYS HB2 7.0 (# 2905:20 Unique)
&rst
ixpk= 2905, nxpk= 20, iat=1611,1613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 69 CYS HB3 64 MET HA 7.0 (# 2906:20 Single)
&rst
ixpk= 2906, nxpk= 20, iat=1048, 965, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 GLU HA 118 VAL MGX 7.0 (# 2909:20 Unique)
&rst
ixpk= 2909, nxpk= 20, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1793,1794,1795,1797,1798,1799,
&end
#
# 0 AMB 20-2:2910 23 VAL MGX 7.0 (# 2910:20 Single)
&rst
ixpk= 2910, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1122,1136,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 97 TYR HD 23 VAL MGX 7.0 (# 2911:20 Unique)
&rst
ixpk= 2911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1=1462,1471,
igr2= 336, 337, 338, 340, 341, 342,
&end
#
# 0 AMB 20-2:2912 30 ALA HA 4.5 (# 2912:20 Single)
&rst
ixpk= 2912, nxpk= 20, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 554, 502,
&end
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