NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
490924 |
2l0y   |
17067 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 23 PHE QE 27 PHE QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
igr1= 296, 300,
igr2= 357, 365,
&end
#
# 18 PRO HA 56 TYR QD 5.64
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 806, 815,
&end
#
# 6 TRP HH2 28 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HA 22 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 55 LYS HA 56 TYR QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 806, 815,
&end
#
# 53 MET HA 60 TYR QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 874, 879,
&end
#
# 23 PHE QD 24 LYS HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 294, 302,
&end
#
# 19 CYX HA 52 CYX HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 239, 737, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 56 TYR HB2 60 TYR QE 3.46
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 874, 879,
&end
#
# 44 ASP QB 45 GLN HE22 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 604, 605,
&end
#
# 58 ASP HB2 60 TYR QE 5.79
&rst
ixpk= 0, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 874, 879,
&end
#
# 6 TRP HD1 24 LYS QE 5.26
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 319, 320,
&end
#
# 6 TRP HZ2 24 LYS HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 85, 311, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 GLN HE21 48 ALA QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 281, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 677, 678, 679,
&end
#
# 6 TRP HE3 11 LEU HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 91, 150, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 6 TRP HE3 15 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 199, 200, 201,
&end
#
# 56 TYR HA 59 LEU HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 800, 849, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 6 TRP HD1 24 LYS HD2 5.82
&rst
ixpk= 0, nxpk= 0, iat= 80, 316, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 6 TRP HZ3 24 LYS HD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= 89, 316, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 6 TRP HZ3 11 LEU HG 4.62
&rst
ixpk= 0, nxpk= 0, iat= 89, 152, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 11 LEU HG 23 PHE QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 296, 300,
&end
#
# 56 TYR QE 59 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 808, 813,
igr2= 858, 859, 860,
&end
#
# 30 PHE QD 38 LYS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 398, 406,
&end
#
# 18 PRO HG2 60 TYR QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 874, 879,
&end
#
# 6 TRP HZ3 11 LEU HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 89, 150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 TRP HZ3 24 LYS HG2 5.81
&rst
ixpk= 0, nxpk= 0, iat= 89, 313, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 6 TRP HZ3 23 PHE QD 5.39
&rst
ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 294, 302,
&end
#
# 5 ASN HA 6 TRP HD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 60, 80, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 1 ASN HD21 3 ASN HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 13, 29, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 1 ASN HD21 3 ASN HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 13, 30, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 28 SER HB2 32 TYR QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 435, 444,
&end
#
# 28 SER HA 32 TYR QD 4.05
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 435, 444,
&end
#
# 1 ASN HD22 3 ASN HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat= 14, 30, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 3 ASN HD21 4 ILE QD1 5.98
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 52, 53, 54,
&end
#
# 45 GLN HB3 45 GLN HE22 5.56
&rst
ixpk= 0, nxpk= 0, iat= 617, 625, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 6 TRP HE1 15 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 199, 200, 201,
&end
#
# 6 TRP HE1 24 LYS HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 82, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 TRP HE1 24 LYS HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 82, 313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 TRP HE1 24 LYS HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 82, 316, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 HID HA 32 TYR QD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 435, 444,
&end
#
# 6 TRP HD1 15 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 199, 200, 201,
&end
#
# 6 TRP HZ2 28 SER HB3 5.92
&rst
ixpk= 0, nxpk= 0, iat= 85, 374, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 30 PHE QD 46 PHE QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 398, 406,
igr2= 639, 643,
&end
#
# 11 LEU QD2 27 PHE QE 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1= 158, 159, 160,
igr2= 359, 363,
&end
#
# 28 SER HB2 32 TYR QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 437, 442,
&end
#
# 55 LYS QE 56 TYR QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 789, 790,
igr2= 808, 813,
&end
#
# 22 GLN HA 22 GLN HE21 5.29
&rst
ixpk= 0, nxpk= 0, iat= 271, 281, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 22 GLN HE22 52 CYX HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 282, 736, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HE21 52 CYX HB2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 281, 736, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 21 GLU HG2 22 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 261, 281, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TYR HA 60 TYR QD 5.81
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 872, 881,
&end
#
# 6 TRP HZ3 11 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 89, 149, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 PRO HG2 56 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 808, 813,
&end
#
# 18 PRO HG3 56 TYR QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 808, 813,
&end
#
# 18 PRO HB3 56 TYR QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 808, 813,
&end
#
# 55 LYS HB3 56 TYR QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 808, 813,
&end
#
# 11 LEU QD2 23 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 158, 159, 160,
igr2= 294, 302,
&end
#
# 11 LEU QD2 23 PHE QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 158, 159, 160,
igr2= 296, 300,
&end
#
# 21 GLU HB2 22 GLN HE22 5.78
&rst
ixpk= 0, nxpk= 0, iat= 258, 282, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 53 MET HG2 60 TYR QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 874, 879,
&end
#
# 56 TYR HB2 60 TYR QD 3.69
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 872, 881,
&end
#
# 57 PRO QG 60 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 823, 824,
igr2= 874, 879,
&end
#
# 18 PRO HG3 60 TYR QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 874, 879,
&end
#
# 56 TYR HB3 60 TYR QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 874, 879,
&end
#
# 56 TYR HB3 60 TYR QD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 872, 881,
&end
#
# 55 LYS HA 56 TYR QE 5.78
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 808, 813,
&end
#
# 55 LYS HG2 56 TYR QE 5.78
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 808, 813,
&end
#
# 55 LYS HB3 56 TYR QD 4.05
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 806, 815,
&end
#
# 55 LYS QD 56 TYR QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 786, 787,
igr2= 808, 813,
&end
#
# 55 LYS HB2 56 TYR QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 808, 813,
&end
#
# 56 TYR QE 57 PRO HD2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 808, 813,
&end
#
# 18 PRO HB2 56 TYR QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 808, 813,
&end
#
# 55 LYS HG3 56 TYR QE 5.81
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 808, 813,
&end
#
# 31 HID HB2 32 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 435, 444,
&end
#
# 31 HID HB3 32 TYR QD 5.73
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 435, 444,
&end
#
# 26 ALA HA 46 PHE QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 637, 645,
&end
#
# 29 CYX HB3 46 PHE QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 385, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 637, 645,
&end
#
# 15 ALA QB 23 PHE QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 199, 200, 201,
igr2= 296, 300,
&end
#
# 11 LEU HB2 23 PHE QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 296, 300,
&end
#
# 15 ALA HA 23 PHE QD 5.23
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 294, 302,
&end
#
# 15 ALA HA 23 PHE QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 296, 300,
&end
#
# 11 LEU HA 23 PHE QD 5.18
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 294, 302,
&end
#
# 23 PHE QD 27 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 294, 302,
&end
#
# 23 PHE QD 24 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 294, 302,
igr2= 319, 320,
&end
#
# 23 PHE QD 27 PHE HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 354, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 294, 302,
&end
#
# 23 PHE QD 24 LYS HD2 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 294, 302,
&end
#
# 4 ILE QD1 23 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 52, 53, 54,
igr2= 294, 302,
&end
#
# 59 LEU QD1 60 TYR HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 854, 855, 856,
&end
#
# 55 LYS HB2 56 TYR QD 4.18
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 806, 815,
&end
#
# 18 PRO HB2 56 TYR QD 5.01
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 806, 815,
&end
#
# 21 GLU HG3 22 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 281, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 TRP HE3 11 LEU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 91, 149, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 TRP HZ2 28 SER HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 85, 371, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 6 TRP HZ2 28 SER HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 85, 373, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 6 TRP HH2 27 PHE HB2 5.59
&rst
ixpk= 0, nxpk= 0, iat= 87, 353, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 6 TRP HZ3 11 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 89, 147, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 TRP HZ3 27 PHE HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 89, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE QG2 6 TRP HE3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 45, 46, 47,
&end
#
# 19 CYX HA 52 CYX HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 239, 736, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 19 CYX HA 22 GLN QG 5.87
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 276, 277,
&end
#
# 19 CYX HA 53 MET HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 239, 749, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 CYX HA 22 GLN HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 239, 273, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 18 PRO HA 56 TYR QE 4.52
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 808, 813,
&end
#
# 17 GLY HA2 60 TYR QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 874, 879,
&end
#
# 38 LYS HG2 46 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 639, 643,
&end
#
# 54 GLN HE22 55 LYS HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 GLN HE22 55 LYS HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 772, 781, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 ASP HA 59 LEU QD1 5.70
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 854, 855, 856,
&end
#
# 58 ASP HA 59 LEU HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= 835, 847, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 21 GLU HA 24 LYS HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 256, 317, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 TRP HB2 24 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 319, 320,
&end
#
# 57 PRO HG2 58 ASP HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 823, 833, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 47 ARG HG2 48 ALA HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 656, 675, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 4 ILE HG13 11 LEU HG 5.85
&rst
ixpk= 0, nxpk= 0, iat= 50, 152, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 4 ILE QG2 11 LEU HG 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 45, 46, 47,
&end
#
# 18 PRO HD2 59 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 858, 859, 860,
&end
#
# 18 PRO HD3 59 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 858, 859, 860,
&end
#
# 59 LEU QD2 60 TYR HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 858, 859, 860,
&end
#
# 59 LEU HA 59 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 854, 855, 856,
&end
#
# 34 THR HA 34 THR QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 465, 466, 467,
&end
#
# 17 GLY HA2 18 PRO HD3 4.05
&rst
ixpk= 0, nxpk= 0, iat= 218, 225, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 59 LEU HB2 60 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 874, 879,
&end
#
# 57 PRO HG2 58 ASP HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 SER HB2 45 GLN HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 332, 620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 ASN HA 4 ILE HB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 27, 43, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 4 ILE QD1 6 TRP HH2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 52, 53, 54,
&end
#
# 52 CYX HA 55 LYS HG3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 734, 784, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 GLY HA2 59 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 854, 855, 856,
&end
#
# 18 PRO HB2 59 LEU QD1 5.98
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 854, 855, 856,
&end
#
# 18 PRO HB3 59 LEU QD1 5.59
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 854, 855, 856,
&end
#
# 15 ALA HA 20 GLY HA2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 197, 249, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 15 ALA HA 20 GLY HA3 4.85
&rst
ixpk= 0, nxpk= 0, iat= 197, 250, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 30 PHE QD 31 HID HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 398, 406,
&end
#
# 34 THR HN 35 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 459, 475, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 PHE QD 39 GLY HA2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 546, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 398, 406,
&end
#
# 30 PHE QD 39 GLY HA3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 398, 406,
&end
#
# 35 GLU QG 41 ASP HA 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 480, 481,
&end
#
# 40 SER HB3 41 ASP HA 5.93
&rst
ixpk= 0, nxpk= 0, iat= 556, 564, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 45 GLN HB2 45 GLN HE22 5.04
&rst
ixpk= 0, nxpk= 0, iat= 616, 625, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 46 PHE HN 47 ARG QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 653, 654,
&end
#
# 43 VAL QG2 47 ARG HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 594, 595, 596,
&end
#
# 48 ALA HA 51 GLU HG2 5.67
&rst
ixpk= 0, nxpk= 0, iat= 675, 724, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 48 ALA HA 52 CYX HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 675, 732, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 ALA QB 52 CYX HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 677, 678, 679,
&end
#
# 47 ARG QB 48 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 653, 654,
igr2= 677, 678, 679,
&end
#
# 46 PHE HN 48 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 677, 678, 679,
&end
#
# 51 GLU HG2 52 CYX HB3 5.89
&rst
ixpk= 0, nxpk= 0, iat= 724, 737, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 51 GLU HN 51 GLU HG3 4.68
&rst
ixpk= 0, nxpk= 0, iat= 717, 725, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 51 GLU HA 52 CYX HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 54 GLN HB2 55 LYS HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 763, 776, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 54 GLN HB3 54 GLN HE21 5.55
&rst
ixpk= 0, nxpk= 0, iat= 764, 771, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 55 LYS HA 55 LYS QD 5.02
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 786, 787,
&end
#
# 56 TYR HA 57 PRO HG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 800, 823, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 56 TYR HB2 59 LEU HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 802, 849, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 56 TYR HN 57 PRO HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= 798, 829, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 56 TYR QD 57 PRO HD3 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 806, 815,
&end
#
# 59 LEU QD2 60 TYR HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 858, 859, 860,
&end
#
# 59 LEU HG 60 TYR HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 852, 864, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 59 LEU HN 59 LEU HG 4.65
&rst
ixpk= 0, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 56 TYR QD 57 PRO HD2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 806, 815,
&end
#
# 58 ASP HB2 60 TYR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 837, 864, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 ASP HB2 59 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 837, 847, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 56 TYR HN 57 PRO HD3 4.79
&rst
ixpk= 0, nxpk= 0, iat= 798, 821, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 56 TYR QD 57 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 806, 815,
&end
#
# 56 TYR QD 57 PRO HG3 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 824, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 806, 815,
&end
#
# 56 TYR HA 59 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 800, 852, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 55 LYS HG3 56 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 806, 815,
&end
#
# 54 GLN HB2 55 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 763, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 54 GLN HB3 55 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 764, 778, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 GLU HA 54 GLN HB3 5.89
&rst
ixpk= 0, nxpk= 0, iat= 719, 764, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 51 GLU HA 54 GLN HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 719, 763, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 54 GLN HB3 55 LYS HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 764, 776, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 53 MET HN 54 GLN HB2 5.60
&rst
ixpk= 0, nxpk= 0, iat= 742, 763, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 51 GLU HA 54 GLN HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 719, 766, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 53 MET HN 53 MET HG3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 742, 750, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 52 CYX HA 55 LYS HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 734, 776, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 52 CYX HA 55 LYS HG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 734, 783, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 52 CYX HB2 53 MET HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= 736, 744, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 52 CYX HB3 53 MET HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= 737, 744, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 6 TRP HE3 24 LYS HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 91, 317, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 SER HA 32 TYR QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 437, 442,
&end
#
# 47 ARG HN 48 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 677, 678, 679,
&end
#
# 52 CYX HA 53 MET HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 734, 746, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 CYX HB3 45 GLN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 ASP HB2 59 LEU HB2 5.94
&rst
ixpk= 0, nxpk= 0, iat= 837, 849, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 58 ASP HB3 59 LEU HB2 5.89
&rst
ixpk= 0, nxpk= 0, iat= 838, 849, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 43 VAL QG1 47 ARG HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 590, 591, 592,
&end
#
# 43 VAL QG1 45 GLN HN 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 590, 591, 592,
&end
#
# 43 VAL QG2 47 ARG HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 594, 595, 596,
&end
#
# 43 VAL QG2 45 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 594, 595, 596,
&end
#
# 43 VAL QG2 46 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 594, 595, 596,
igr2= 637, 645,
&end
#
# 43 VAL QG1 46 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 590, 591, 592,
igr2= 637, 645,
&end
#
# 42 CYX HA 43 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 590, 591, 592,
&end
#
# 43 VAL QG2 47 ARG HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 594, 595, 596,
&end
#
# 42 CYX HA 43 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 576, 586, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 VAL HA 47 ARG HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 586, 649, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 CYX HA 45 GLN HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 576, 612, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 42 CYX HA 44 ASP HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 576, 600, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 42 CYX HA 45 GLN HE21 4.42
&rst
ixpk= 0, nxpk= 0, iat= 576, 624, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 35 GLU QG 41 ASP HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 480, 481,
&end
#
# 35 GLU QG 41 ASP HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 480, 481,
&end
#
# 35 GLU HB2 41 ASP HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 477, 567, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 37 ILE QG2 40 SER HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 509, 510, 511,
&end
#
# 40 SER HA 43 VAL QG1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 590, 591, 592,
&end
#
# 40 SER HA 43 VAL QG2 5.73
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 594, 595, 596,
&end
#
# 37 ILE QG2 40 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 509, 510, 511,
&end
#
# 39 GLY HN 40 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 GLY HA3 46 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 639, 643,
&end
#
# 30 PHE QE 38 LYS HA 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 400, 404,
&end
#
# 37 ILE HA 38 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 505, 526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HG3 46 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 637, 645,
&end
#
# 30 PHE QE 38 LYS HD3 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 400, 404,
&end
#
# 30 PHE QE 38 LYS HD2 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 400, 404,
&end
#
# 30 PHE HZ 38 LYS HD3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 402, 533, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 30 PHE HZ 38 LYS HE3 5.39
&rst
ixpk= 0, nxpk= 0, iat= 402, 536, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 30 PHE QD 38 LYS HE3 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1= 398, 406,
&end
#
# 30 PHE QD 38 LYS HE2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 535, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 398, 406,
&end
#
# 30 PHE HZ 38 LYS HE2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 402, 535, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 35 GLU HA 37 ILE HN 5.56
&rst
ixpk= 0, nxpk= 0, iat= 475, 503, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 31 HID HN 33 SER HB2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 410, 452, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 30 PHE HN 33 SER HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 390, 452, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 31 HID HN 33 SER HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 410, 453, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 32 TYR HB2 33 SER HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 431, 448, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 32 TYR HB3 33 SER HN 5.83
&rst
ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 31 HID HB2 32 TYR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 414, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 HID HB3 32 TYR HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 415, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE QD1 31 HID HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 52, 53, 54,
&end
#
# 4 ILE QD1 31 HID HA 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 52, 53, 54,
&end
#
# 30 PHE HB3 33 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 395, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 PHE HB2 38 LYS HD3 5.29
&rst
ixpk= 0, nxpk= 0, iat= 394, 533, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 30 PHE HB3 38 LYS HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 395, 533, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 PHE HA 33 SER HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 392, 448, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 26 ALA HA 29 CYX HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 341, 384, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 29 CYX HB2 45 GLN HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 620, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HG2 52 CYX HB2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 276, 736, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 29 CYX HB3 45 GLN HG3 5.06
&rst
ixpk= 0, nxpk= 0, iat= 385, 620, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 29 CYX HB2 45 GLN HB3 5.87
&rst
ixpk= 0, nxpk= 0, iat= 384, 617, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 26 ALA HA 29 CYX HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 341, 385, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 29 CYX HB3 30 PHE HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 29 CYX HB2 30 PHE HN 5.81
&rst
ixpk= 0, nxpk= 0, iat= 384, 390, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 29 CYX HB2 31 HID HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 CYX HB3 31 HID HN 5.74
&rst
ixpk= 0, nxpk= 0, iat= 385, 410, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 29 CYX HA 32 TYR HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE QG2 28 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 45, 46, 47,
&end
#
# 28 SER HA 30 PHE HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 371, 390, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 28 SER QB 32 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 373, 374,
igr2= 435, 444,
&end
#
# 28 SER QB 29 CYX HN 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 373, 374,
&end
#
# 27 PHE QD 28 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 357, 365,
igr2= 373, 374,
&end
#
# 27 PHE HA 30 PHE HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 351, 395, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 27 PHE HA 30 PHE HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 351, 390, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 26 ALA HA 45 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 341, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ALA HA 42 CYX HB2 5.90
&rst
ixpk= 0, nxpk= 0, iat= 341, 578, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 26 ALA HA 45 GLN HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 341, 617, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 26 ALA HA 45 GLN HB2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 341, 616, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 26 ALA HA 46 PHE QE 5.17
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 639, 643,
&end
#
# 24 LYS HN 25 SER HB2 5.88
&rst
ixpk= 0, nxpk= 0, iat= 306, 332, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 24 LYS HN 25 SER HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 306, 333, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 24 LYS HB3 25 SER HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 311, 332, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 24 LYS HB2 25 SER HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 310, 333, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 24 LYS HB3 25 SER HB3 5.82
&rst
ixpk= 0, nxpk= 0, iat= 311, 333, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 25 SER HB3 45 GLN HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 333, 617, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 21 GLU HG2 25 SER HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 261, 333, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 SER HB2 45 GLN HB3 5.56
&rst
ixpk= 0, nxpk= 0, iat= 332, 617, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 24 LYS HB2 25 SER HB2 5.97
&rst
ixpk= 0, nxpk= 0, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 25 SER HB3 45 GLN HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 333, 619, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 SER HB2 45 GLN HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 332, 619, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 25 SER HA 28 SER HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 330, 369, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 24 LYS HB2 25 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 310, 330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 SER HA 35 GLU HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 450, 473, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 21 GLU HA 24 LYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 256, 311, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLU HA 24 LYS HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 256, 310, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 21 GLU HB3 24 LYS HB2 5.97
&rst
ixpk= 0, nxpk= 0, iat= 259, 310, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 6 TRP HB3 24 LYS QE 5.63
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 319, 320,
&end
#
# 6 TRP HE3 24 LYS QE 5.25
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 319, 320,
&end
#
# 6 TRP HZ2 24 LYS QE 5.69
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 319, 320,
&end
#
# 4 ILE QG2 24 LYS QE 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1= 45, 46, 47,
igr2= 319, 320,
&end
#
# 23 PHE HB2 24 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 319, 320,
&end
#
# 15 ALA HA 23 PHE HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 197, 290, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 15 ALA HA 23 PHE HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 197, 291, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 20 GLY HA2 23 PHE HB2 5.52
&rst
ixpk= 0, nxpk= 0, iat= 249, 290, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 23 PHE HA 23 PHE QD 3.80
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 294, 302,
&end
#
# 23 PHE HA 25 SER HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 288, 328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PHE HA 26 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 343, 344, 345,
&end
#
# 22 GLN HG2 48 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 677, 678, 679,
&end
#
# 22 GLN HG3 48 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 677, 678, 679,
&end
#
# 22 GLN HG3 52 CYX HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 277, 737, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 22 GLN HG2 52 CYX HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 276, 737, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 22 GLN HB3 49 MET HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 274, 685, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 22 GLN HG3 22 GLN HE21 4.08
&rst
ixpk= 0, nxpk= 0, iat= 277, 281, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 29 CYX HB2 45 GLN HG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 384, 619, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 15 ALA QB 20 GLY HA2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 199, 200, 201,
&end
#
# 20 GLY HA2 21 GLU HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 261, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLY HA3 23 PHE HB3 5.86
&rst
ixpk= 0, nxpk= 0, iat= 250, 291, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 20 GLY HA2 23 PHE QD 5.91
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 294, 302,
&end
#
# 19 CYX HB2 22 GLN HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 241, 276, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 19 CYX HA 20 GLY HA2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 239, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 CYX HA 22 GLN HG3 5.10
&rst
ixpk= 0, nxpk= 0, iat= 239, 277, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 18 PRO HG2 60 TYR QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 872, 881,
&end
#
# 18 PRO HG2 60 TYR HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 227, 868, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 PRO HG3 60 TYR HB2 5.88
&rst
ixpk= 0, nxpk= 0, iat= 228, 868, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 18 PRO HB3 60 TYR QE 5.97
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 874, 879,
&end
#
# 18 PRO HB3 60 TYR QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 231, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 872, 881,
&end
#
# 18 PRO HB2 60 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 872, 881,
&end
#
# 17 GLY HA3 18 PRO HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 219, 224, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 17 GLY HA2 18 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 GLY HA2 18 PRO HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 GLY HA3 59 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 854, 855, 856,
&end
#
# 16 SER QB 17 GLY HA2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 209, 210,
&end
#
# 16 SER QB 17 GLY HA3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 209, 210,
&end
#
# 15 ALA HN 16 SER QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 209, 210,
&end
#
# 15 ALA QB 16 SER QB 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 199, 200, 201,
igr2= 209, 210,
&end
#
# 16 SER HA 20 GLY HA2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 207, 249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 SER HA 20 GLY HA3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 207, 250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 ALA QB 24 LYS HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 199, 200, 201,
&end
#
# 15 ALA HA 24 LYS HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 197, 313, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 12 GLY HA3 15 ALA HN 5.86
&rst
ixpk= 0, nxpk= 0, iat= 167, 195, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 11 LEU HN 12 GLY HA3 5.53
&rst
ixpk= 0, nxpk= 0, iat= 145, 167, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 12 GLY HA3 14 MET HN 5.66
&rst
ixpk= 0, nxpk= 0, iat= 167, 178, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 12 GLY HA2 15 ALA HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 166, 195, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 11 LEU QD1 23 PHE HZ 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 154, 155, 156,
&end
#
# 11 LEU QD1 23 PHE QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 154, 155, 156,
igr2= 294, 302,
&end
#
# 11 LEU QD1 23 PHE QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 154, 155, 156,
igr2= 296, 300,
&end
#
# 6 TRP HZ3 11 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 154, 155, 156,
&end
#
# 4 ILE HG13 11 LEU QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 154, 155, 156,
&end
#
# 11 LEU QD1 15 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 154, 155, 156,
igr2= 199, 200, 201,
&end
#
# 11 LEU HG 15 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 199, 200, 201,
&end
#
# 11 LEU HG 23 PHE QD 5.40
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 294, 302,
&end
#
# 11 LEU HG 27 PHE QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 359, 363,
&end
#
# 48 ALA QB 52 CYX HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 677, 678, 679,
&end
#
# 6 TRP HA 7 ASN HB3 5.57
&rst
ixpk= 0, nxpk= 0, iat= 74, 101, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 6 TRP HB3 15 ALA QB 5.75
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 199, 200, 201,
&end
#
# 5 ASN HA 6 TRP HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, 77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 ASN HA 5 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 60, 67, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE QG2 5 ASN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 5 ASN HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 45, 46, 47,
&end
#
# 4 ILE QD1 28 SER HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 52, 53, 54,
&end
#
# 4 ILE QD1 28 SER HN 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 52, 53, 54,
&end
#
# 4 ILE HG12 5 ASN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, 58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE QG2 6 TRP HZ2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 6 TRP HH2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 45, 46, 47,
&end
#
# 3 ASN HD21 4 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 45, 46, 47,
&end
#
# 4 ILE HB 6 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 87, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE HB 6 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 85, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE HB 5 ASN HN 5.66
&rst
ixpk= 0, nxpk= 0, iat= 43, 58, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 4 ILE QD1 6 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 52, 53, 54,
&end
#
# 4 ILE HB 6 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 82, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 GLY HA2 3 ASN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 20, 27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 GLY HA3 3 ASN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 27, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ASN HB3 4 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 30, 43, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ASN HB3 4 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 30, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 45, 46, 47,
&end
#
# 1 ASN HA 1 ASN HD21 5.89
&rst
ixpk= 0, nxpk= 0, iat= 6, 13, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 6 TRP HA 6 TRP HD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 74, 80, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 4 ILE QD1 6 TRP HZ2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 52, 53, 54,
&end
#
# 4 ILE QD1 6 TRP HZ3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 52, 53, 54,
&end
#
# 4 ILE HB 27 PHE HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 354, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 ILE HB 6 TRP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 43, 74, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 ASN HA 2 GLY HA2 5.53
&rst
ixpk= 0, nxpk= 0, iat= 6, 20, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 1 ASN HA 2 GLY HA3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 6, 21, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 PHE HB3 50 GLN HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 634, 700, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 46 PHE HB2 47 ARG HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 633, 649, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 4 ILE QD1 6 TRP HE3 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 52, 53, 54,
&end
#
# 52 CYX HN 53 MET HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 732, 744, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 57 PRO HA 59 LEU HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 56 TYR QE 59 LEU QD1 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 808, 813,
igr2= 854, 855, 856,
&end
#
# 59 LEU HG 60 TYR QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 874, 879,
&end
#
# 56 TYR QE 59 LEU HG 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 808, 813,
&end
#
# 18 PRO HB3 20 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLY HN 21 GLU HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 247, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 ASN HB2 2 GLY HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 8, 18, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 3 ASN HN 3 ASN HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 25, 30, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 2 GLY HN 3 ASN HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 18, 29, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 1 ASN HB2 3 ASN HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 8, 25, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 1 ASN HA 3 ASN HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 6, 25, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1 ASN HD21 3 ASN HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 13, 25, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 3 ASN HN 3 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 25, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ASN HN 3 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 34, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 ASN HD21 3 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 13, 34, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 ASN HD22 3 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= 14, 34, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 ASN HB3 3 ASN HD21 3.60
&rst
ixpk= 0, nxpk= 0, iat= 30, 34, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 3 ASN HD22 4 ILE HB 5.52
&rst
ixpk= 0, nxpk= 0, iat= 35, 43, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 3 ASN HB2 3 ASN HD22 4.02
&rst
ixpk= 0, nxpk= 0, iat= 29, 35, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 3 ASN HB3 3 ASN HD22 4.33
&rst
ixpk= 0, nxpk= 0, iat= 30, 35, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 3 ASN HB2 4 ILE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 29, 39, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 ASN HB3 4 ILE HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 30, 39, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 4 ILE HB 5 ASN HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 43, 58, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 4 ILE HG12 5 ASN HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 49, 58, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 5 ASN HN 6 TRP HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 58, 72, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 4 ILE HB 6 TRP HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 43, 72, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 6 TRP HN 7 ASN HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= 72, 101, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 7 ASN HN 15 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 199, 200, 201,
&end
#
# 12 GLY HN 13 GLY HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 11 LEU HG 12 GLY HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 152, 164, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 11 LEU HB2 14 MET HN 5.73
&rst
ixpk= 0, nxpk= 0, iat= 149, 178, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 11 LEU HB3 14 MET HN 5.83
&rst
ixpk= 0, nxpk= 0, iat= 150, 178, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 16 SER HN 16 SER HB2 2.86
&rst
ixpk= 0, nxpk= 0, iat= 205, 209, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 16 SER HB2 17 GLY HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 209, 216, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 17 GLY HA3 19 CYX HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 219, 237, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 18 PRO HD2 19 CYX HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 224, 237, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 19 CYX HB2 20 GLY HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 241, 247, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 19 CYX HN 20 GLY HN 3.37
&rst
ixpk= 0, nxpk= 0, iat= 237, 247, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 19 CYX HB2 21 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 241, 254, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 GLU HN 24 LYS HG2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 254, 313, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 19 CYX HA 21 GLU HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 20 GLY HN 21 GLU HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= 247, 254, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 21 GLU HN 22 GLN HG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 254, 276, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 22 GLN HN 22 GLN HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat= 269, 274, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 22 GLN HB3 22 GLN HE21 4.56
&rst
ixpk= 0, nxpk= 0, iat= 274, 281, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 22 GLN HA 22 GLN HE22 6.00
&rst
ixpk= 0, nxpk= 0, iat= 271, 282, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HB3 22 GLN HE22 5.91
&rst
ixpk= 0, nxpk= 0, iat= 274, 282, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 22 GLN HB3 23 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLN HG3 23 PHE HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 277, 286, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 23 PHE HB2 24 LYS HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 290, 306, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 24 LYS HN 24 LYS HG3 3.99
&rst
ixpk= 0, nxpk= 0, iat= 306, 314, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 24 LYS HN 24 LYS HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 306, 310, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 24 LYS HN 25 SER HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= 306, 328, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 24 LYS HG3 25 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 314, 328, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 22 GLN HN 25 SER HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 269, 328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 23 PHE QD 27 PHE HN 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 294, 302,
&end
#
# 26 ALA HN 27 PHE HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 LYS HA 28 SER HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 308, 369, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 28 SER QB 29 CYX HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 373, 374,
&end
#
# 29 CYX HB3 31 HID HN 5.69
&rst
ixpk= 0, nxpk= 0, iat= 385, 410, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 27 PHE HA 31 HID HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 351, 410, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 SER QB 31 HID HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 373, 374,
&end
#
# 29 CYX HA 31 HID HN 5.75
&rst
ixpk= 0, nxpk= 0, iat= 382, 410, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 32 TYR HN 33 SER HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 427, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 HID HA 33 SER HN 5.87
&rst
ixpk= 0, nxpk= 0, iat= 412, 448, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 32 TYR HB2 33 SER HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 431, 448, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 4 ILE QD1 32 TYR HN 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 52, 53, 54,
&end
#
# 33 SER HN 34 THR QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 465, 466, 467,
&end
#
# 31 HID HA 34 THR HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 412, 459, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 34 THR HN 36 GLU HN 5.57
&rst
ixpk= 0, nxpk= 0, iat= 459, 488, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 33 SER HB2 35 GLU HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 452, 473, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 35 GLU HB2 36 GLU HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 477, 488, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 37 ILE HN 38 LYS HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 503, 524, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 35 GLU HN 37 ILE HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 473, 503, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 36 GLU HN 37 ILE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 488, 503, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 LYS HN 39 GLY HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 38 LYS HB2 39 GLY HN 5.63
&rst
ixpk= 0, nxpk= 0, iat= 526, 544, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 39 GLY HN 40 SER HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 544, 551, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 39 GLY HN 41 ASP HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 544, 562, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 35 GLU HB2 40 SER HN 5.59
&rst
ixpk= 0, nxpk= 0, iat= 477, 551, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 40 SER HN 41 ASP HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 551, 562, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 40 SER HB2 41 ASP HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 555, 562, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 39 GLY HA2 41 ASP HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 546, 562, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 39 GLY HA2 42 CYX HN 5.55
&rst
ixpk= 0, nxpk= 0, iat= 546, 574, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 42 CYX HN 43 VAL QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 594, 595, 596,
&end
#
# 42 CYX HB3 43 VAL HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 579, 584, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 43 VAL HN 46 PHE QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 637, 645,
&end
#
# 43 VAL QG2 45 GLN HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 594, 595, 596,
&end
#
# 45 GLN HA 45 GLN HE22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 614, 625, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 CYX HB2 45 GLN HE22 4.71
&rst
ixpk= 0, nxpk= 0, iat= 384, 625, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 45 GLN HN 46 PHE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 612, 629, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 45 GLN HB3 46 PHE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 46 PHE HN 47 ARG HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 629, 649, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 44 ASP QB 48 ALA HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 604, 605,
&end
#
# 45 GLN HA 48 ALA HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= 614, 673, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 46 PHE HN 48 ALA HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 629, 673, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 47 ARG QB 49 MET HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 653, 654,
&end
#
# 48 ALA HN 49 MET HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 673, 683, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 49 MET QB 50 GLN HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 687, 688,
&end
#
# 49 MET HA 50 GLN HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 685, 700, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 48 ALA QB 51 GLU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 677, 678, 679,
&end
#
# 54 GLN HN 55 LYS HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 759, 784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 CYX HA 54 GLN HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 734, 759, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 53 MET HN 54 GLN HN 3.29
&rst
ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 54 GLN HB3 54 GLN HE21 4.57
&rst
ixpk= 0, nxpk= 0, iat= 764, 771, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 52 CYX HA 55 LYS HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 734, 776, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 54 GLN HN 56 TYR HN 5.94
&rst
ixpk= 0, nxpk= 0, iat= 759, 798, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 55 LYS HG3 56 TYR HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 784, 798, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 55 LYS HB3 56 TYR HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 781, 798, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 55 LYS HG2 56 TYR HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 783, 798, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 56 TYR HN 59 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 854, 855, 856,
&end
#
# 58 ASP HN 59 LEU HB2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 833, 849, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 58 ASP HN 59 LEU HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 833, 847, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 57 PRO HA 59 LEU HN 5.78
&rst
ixpk= 0, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 58 ASP HB2 59 LEU HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 837, 845, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 58 ASP HB3 59 LEU HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 59 LEU HN 60 TYR HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 845, 869, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 59 LEU HN 60 TYR QE 4.76
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 874, 879,
&end
#
# 59 LEU HB2 60 TYR HN 5.74
&rst
ixpk= 0, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 58 ASP HN 60 TYR HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 833, 864, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 1 ASN HD21 3 ASN HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 13, 29, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 1 ASN HB3 2 GLY HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 9, 18, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 5 ASN HN 5 ASN HD22 5.95
&rst
ixpk= 0, nxpk= 0, iat= 58, 68, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 11 LEU HN 11 LEU HG 4.98
&rst
ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 11 LEU HN 11 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 154, 155, 156,
&end
#
# 11 LEU QD1 12 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 154, 155, 156,
&end
#
# 15 ALA HN 16 SER HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 195, 205, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 18 PRO HG2 20 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 227, 247, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 CYX HN 21 GLU HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= 237, 254, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 21 GLU HB2 23 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 258, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 GLY HA3 23 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 250, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 GLN HB2 22 GLN HE21 5.32
&rst
ixpk= 0, nxpk= 0, iat= 273, 281, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 24 LYS HN 24 LYS HD2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 24 LYS HN 24 LYS HD3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 306, 317, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 22 GLN HA 24 LYS HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 271, 306, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 22 GLN HN 24 LYS HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 269, 306, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 24 LYS HA 27 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 308, 349, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 SER HN 29 CYX HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 385, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 ALA HA 29 CYX HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 341, 380, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 27 PHE HA 29 CYX HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 351, 380, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 27 PHE HA 30 PHE HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 351, 390, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 28 SER QB 30 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 373, 374,
&end
#
# 28 SER HA 30 PHE HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 371, 390, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 31 HID HN 33 SER HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 410, 448, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 30 PHE HB2 31 HID HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 394, 410, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 29 CYX HN 32 TYR HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 380, 427, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 29 CYX HA 32 TYR HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 382, 427, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 34 THR HN 35 GLU QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 480, 481,
&end
#
# 35 GLU HN 39 GLY HN 5.88
&rst
ixpk= 0, nxpk= 0, iat= 473, 544, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 33 SER HB2 39 GLY HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 452, 544, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 35 GLU HB2 39 GLY HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 477, 544, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 SER HN 42 CYX HN 5.70
&rst
ixpk= 0, nxpk= 0, iat= 551, 574, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 37 ILE HB 40 SER HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= 507, 551, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 39 GLY HA3 41 ASP HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 39 GLY HA3 42 CYX HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 547, 574, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 42 CYX HN 44 ASP HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 574, 600, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 57 PRO HD2 59 LEU HN 5.94
&rst
ixpk= 0, nxpk= 0, iat= 820, 845, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 29 CYX HB2 45 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 PHE HN 49 MET HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 CYX HB3 45 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 385, 612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 47 ARG HN 48 ALA HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 649, 673, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 47 ARG HN 49 MET HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 649, 683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 49 MET HN 50 GLN HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 48 ALA HA 51 GLU HN 5.82
&rst
ixpk= 0, nxpk= 0, iat= 675, 717, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 51 GLU HN 52 CYX HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 717, 732, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 51 GLU HB3 52 CYX HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 722, 732, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 52 CYX HN 54 GLN HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 732, 759, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 46 PHE HB2 49 MET HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 633, 683, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 MET HN 55 LYS HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 742, 776, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 55 LYS HN 56 TYR HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 776, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 58 ASP HN 60 TYR QE 5.19
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 874, 879,
&end
#
# 57 PRO HG2 59 LEU HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= 823, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 CYX HB3 45 GLN HE22 4.87
&rst
ixpk= 0, nxpk= 0, iat= 385, 625, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 29 CYX HB3 45 GLN HE21 4.84
&rst
ixpk= 0, nxpk= 0, iat= 385, 624, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 37 ILE HG13 40 SER HN 5.77
&rst
ixpk= 0, nxpk= 0, iat= 514, 551, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 10 CYX HA 12 GLY HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 137, 164, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 MET HB3 23 PHE QD 4.58
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 294, 302,
&end
#
# 14 MET HB3 23 PHE QE 5.12
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 296, 300,
&end
#
# 14 MET HB2 23 PHE QD 4.53
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 294, 302,
&end
#
# 14 MET HB2 23 PHE QE 5.40
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 296, 300,
&end
#
# 14 MET HA 23 PHE QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 296, 300,
&end
#
# 14 MET HA 23 PHE QD 5.60
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 294, 302,
&end
#
# 4 ILE QG2 23 PHE QD 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 45, 46, 47,
igr2= 294, 302,
&end
#
# 14 MET HG3 23 PHE QD 4.65
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 294, 302,
&end
#
# 14 MET HG2 23 PHE QD 5.42
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 294, 302,
&end
#
# 22 GLN QG 23 PHE HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 276, 277,
&end
#
# 53 MET HN 54 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 742, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 GLN HN 54 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 759, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 GLN HA 45 GLN HG3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 614, 620, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 44 ASP HA 47 ARG QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 653, 654,
&end
#
# 16 SER HA 16 SER QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 209, 210,
&end
#
# 55 LYS HN 55 LYS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 776, 781, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 50 GLN HA 53 MET HG3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 702, 750, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 26 ALA HA 29 CYX HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 341, 384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 56 TYR HA 57 PRO HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 800, 827, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 59 LEU HA 59 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 854, 855, 856,
&end
#
# 56 TYR HA 59 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP HA 60 TYR HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 835, 864, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 51 GLU HB3 52 CYX HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 722, 732, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 42 CYX HA 44 ASP HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 576, 600, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 42 CYX HA 45 GLN HE21 4.58
&rst
ixpk= 0, nxpk= 0, iat= 576, 624, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 36 GLU HN 36 GLU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 493, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 36 GLU HB2 37 ILE HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 492, 503, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 24 LYS HB2 24 LYS HD3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 310, 317, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 41 ASP HA 42 CYX HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 564, 576, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 15 ALA HA 23 PHE QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 294, 302,
&end
#
# 14 MET HA 15 ALA HA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 180, 197, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 21 GLU HB3 22 GLN HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 259, 269, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 21 GLU HN 21 GLU HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 254, 259, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 21 GLU HB2 22 GLN HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 258, 269, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 19 CYX HA 22 GLN HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 239, 269, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 47 ARG HN 47 ARG HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat= 649, 657, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 47 ARG HG3 48 ALA HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 657, 673, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 58 ASP HN 59 LEU HG 5.14
&rst
ixpk= 0, nxpk= 0, iat= 833, 852, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 57 PRO HD2 58 ASP HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 820, 833, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 56 TYR HA 57 PRO HD2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 800, 820, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 56 TYR QB 57 PRO HD2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 802, 803,
&end
#
# 4 ILE QG2 5 ASN HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 60, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 45, 46, 47,
&end
#
# 17 GLY HA2 18 PRO HD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 218, 224, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 17 GLY HA3 18 PRO HD3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 219, 225, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 55 LYS HA 55 LYS HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 778, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 LYS HA 55 LYS HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 778, 783, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 59 LEU QD2 60 TYR QD 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 858, 859, 860,
igr2= 872, 881,
&end
#
# 59 LEU HA 59 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 858, 859, 860,
&end
#
# 56 TYR QB 59 LEU QD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 802, 803,
igr2= 858, 859, 860,
&end
#
# 20 GLY HA2 22 GLN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 249, 269, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 20 GLY HA3 22 GLN HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 250, 269, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 59 LEU QD1 60 TYR HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 854, 855, 856,
&end
#
# 43 VAL QG1 44 ASP HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 590, 591, 592,
&end
#
# 43 VAL HN 43 VAL QG1 3.27
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 590, 591, 592,
&end
#
# 42 CYX HB2 43 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 590, 591, 592,
&end
#
# 39 GLY HA2 40 SER HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 546, 553, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 34 THR HN 34 THR QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 465, 466, 467,
&end
#
# 34 THR QG2 35 GLU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 465, 466, 467,
&end
#
# 43 VAL HN 43 VAL QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 594, 595, 596,
&end
#
# 17 GLY HA3 18 PRO QG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 227, 228,
&end
#
# 34 THR HB 35 GLU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 463, 473, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 47 ARG HN 47 ARG QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 659, 660,
&end
#
# 44 ASP HA 47 ARG QD 5.17
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 659, 660,
&end
#
# 47 ARG QB 47 ARG QD 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 653, 654,
igr2= 659, 660,
&end
#
# 15 ALA HN 15 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 199, 200, 201,
&end
#
# 15 ALA QB 23 PHE HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 199, 200, 201,
&end
#
# 43 VAL HA 46 PHE HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 586, 633, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 43 VAL HA 46 PHE QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 637, 645,
&end
#
# 59 LEU HB3 60 TYR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 59 LEU HN 59 LEU HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 845, 850, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 38 LYS HB3 38 LYS HE2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 527, 535, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 26 ALA QB 28 SER HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 343, 344, 345,
&end
#
# 48 ALA QB 51 GLU HG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 677, 678, 679,
&end
#
# 24 LYS HN 24 LYS QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 319, 320,
&end
#
# 21 GLU HA 24 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 319, 320,
&end
#
# 15 ALA QB 24 LYS QE 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 199, 200, 201,
igr2= 319, 320,
&end
#
# 24 LYS HG2 24 LYS QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 319, 320,
&end
#
# 37 ILE QG2 37 ILE HG12 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 509, 510, 511,
&end
#
# 37 ILE QG2 38 LYS QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 509, 510, 511,
igr2= 529, 530,
&end
#
# 42 CYX HB3 45 GLN HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= 579, 617, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 16 SER HN 16 SER QB 3.36
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 209, 210,
&end
#
# 56 TYR QB 60 TYR QE 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 802, 803,
igr2= 874, 879,
&end
#
# 56 TYR QB 59 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 802, 803,
igr2= 854, 855, 856,
&end
#
# 58 ASP HB3 59 LEU HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 4 ILE QG2 6 TRP HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 4 ILE HG12 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 45, 46, 47,
&end
#
# 22 GLN QG 52 CYX HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 276, 277,
&end
#
# 22 GLN HB3 52 CYX HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 274, 737, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 GLN HE21 52 CYX HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 281, 737, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 SER HN 25 SER HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= 328, 333, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 25 SER HB3 45 GLN HG3 4.66
&rst
ixpk= 0, nxpk= 0, iat= 333, 620, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 3 ASN QB 4 ILE HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 29, 30,
&end
#
# 15 ALA HA 23 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 197, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 SER HB2 41 ASP HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 555, 562, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 4 ILE HA 5 ASN HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 41, 63, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 4 ILE HA 5 ASN HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 41, 58, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 4 ILE HA 5 ASN HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 41, 62, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 4 ILE QD1 6 TRP HH2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 52, 53, 54,
&end
#
# 4 ILE QD1 31 HID HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 52, 53, 54,
&end
#
# 52 CYX HA 53 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 734, 750, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 GLU HN 51 GLU HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= 717, 724, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 51 GLU HA 51 GLU HG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 719, 724, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 52 CYX HA 54 GLN HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 734, 767, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 34 THR HA 34 THR QG2 3.20
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 465, 466, 467,
&end
#
# 44 ASP HA 45 GLN HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 602, 614, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 22 GLN HA 22 GLN QG 3.37
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 276, 277,
&end
#
# 36 GLU HA 36 GLU HG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 490, 495, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 37 ILE HA 37 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 516, 517, 518,
&end
#
# 37 ILE HB 37 ILE QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 516, 517, 518,
&end
#
# 38 LYS HA 39 GLY HA2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 524, 546, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 47 ARG HA 50 GLN HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= 651, 700, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 PHE HB2 47 ARG HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 651, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ILE HB 40 SER HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 507, 555, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 32 TYR HA 32 TYR QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 437, 442,
&end
#
# 38 LYS HN 38 LYS HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 6 TRP HN 6 TRP HD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 72, 80, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 5 ASN HA 6 TRP HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 60, 72, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 6 TRP HN 6 TRP HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 72, 76, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 6 TRP HN 6 TRP HB3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 72, 77, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 5 ASN HB3 6 TRP HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 63, 72, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 23 PHE HN 24 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 286, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 GLN HB2 23 PHE HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 273, 286, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 4 ILE HG13 5 ASN HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 50, 58, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 23 PHE QD 26 ALA HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 294, 302,
&end
#
# 26 ALA HN 28 SER HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 339, 369, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 26 ALA HN 26 ALA QB 4.06
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 343, 344, 345,
&end
#
# 8 SER HN 8 SER HB2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 8 SER HN 8 SER HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 46 PHE HN 46 PHE HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 629, 633, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 44 ASP QB 45 GLN HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 604, 605,
&end
#
# 45 GLN HN 45 GLN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 612, 616, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 36 GLU HN 36 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 492, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 GLN HN 45 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 612, 624, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLU HN 36 GLU HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 473, 488, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 34 THR HN 35 GLU HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= 459, 473, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 48 ALA HA 50 GLN HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 675, 700, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 21 GLU HN 22 GLN HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 43 VAL HN 44 ASP HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 584, 600, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 44 ASP HN 44 ASP QB 3.22
&rst
ixpk= 0, nxpk= 0, iat= 600, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 604, 605,
&end
#
# 30 PHE HN 31 HID HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 390, 410, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 29 CYX HB3 30 PHE HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 385, 390, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 41 ASP HA 43 VAL HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 564, 584, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 43 VAL HN 44 ASP QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 604, 605,
&end
#
# 33 SER HB2 34 THR HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 34 THR HN 35 GLU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 459, 477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 PHE HN 32 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ARG QB 48 ALA HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 673, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 653, 654,
&end
#
# 46 PHE HB2 48 ALA HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 633, 673, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 21 GLU HN 22 GLN HE22 5.70
&rst
ixpk= 0, nxpk= 0, iat= 254, 282, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 21 GLU HN 21 GLU HB2 3.35
&rst
ixpk= 0, nxpk= 0, iat= 254, 258, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 24 LYS HN 25 SER HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 306, 332, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 23 PHE HB3 24 LYS HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 291, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 24 LYS HN 24 LYS HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 306, 311, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 4 ILE HN 4 ILE HG13 5.07
&rst
ixpk= 0, nxpk= 0, iat= 39, 50, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 4 ILE HN 4 ILE HB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 39, 43, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 52 CYX HB2 53 MET HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 53 MET HN 53 MET HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 742, 750, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 26 ALA QB 27 PHE HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 343, 344, 345,
&end
#
# 53 MET HN 53 MET HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 742, 749, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 53 MET HN 53 MET HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 742, 746, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 29 CYX HN 29 CYX HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 59 LEU HN 60 TYR HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 845, 866, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 30 PHE QD 31 HID HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 398, 406,
&end
#
# 14 MET HN 15 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 195, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 GLY HN 14 MET HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 171, 178, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 14 MET HN 14 MET HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 178, 185, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 4 ILE QD1 31 HID HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 52, 53, 54,
&end
#
# 31 HID HN 31 HID HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 410, 415, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 49 MET HN 49 MET QG 5.85
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 690, 691,
&end
#
# 49 MET HN 49 MET QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 683, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 687, 688,
&end
#
# 40 SER HN 40 SER HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 551, 555, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 38 LYS HA 40 SER HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 524, 551, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 35 GLU HB2 40 SER HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 477, 551, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 51 GLU HN 52 CYX HB3 5.59
&rst
ixpk= 0, nxpk= 0, iat= 717, 737, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 51 GLU HN 51 GLU HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 37 ILE HN 40 SER HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 503, 555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 35 GLU HB3 37 ILE HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= 478, 503, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 37 ILE HN 37 ILE HB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 503, 507, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 52 CYX HN 53 MET HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= 732, 742, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 52 CYX HN 52 CYX HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 732, 736, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 54 GLN HN 54 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 759, 772, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 GLN HN 54 GLN HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 759, 767, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 53 MET HB2 54 GLN HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 746, 759, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 53 MET HG3 54 GLN HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 750, 759, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 41 ASP HN 42 CYX HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 562, 574, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 40 SER HA 42 CYX HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 553, 574, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 42 CYX HN 43 VAL HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= 574, 586, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 60 TYR HN 60 TYR HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 864, 868, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 60 TYR HN 60 TYR HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= 864, 869, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 54 GLN HE22 55 LYS HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 772, 776, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 55 LYS HN 55 LYS HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 776, 780, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 55 LYS HN 55 LYS HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 776, 783, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 40 SER HN 41 ASP HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 551, 562, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 35 GLU QG 41 ASP HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 480, 481,
&end
#
# 56 TYR HN 57 PRO HD2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 798, 820, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 56 TYR HN 56 TYR HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 31 HID HN 33 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 410, 448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 32 TYR HN 33 SER HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 427, 448, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 33 SER HN 33 SER HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 32 TYR HB3 33 SER HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 PRO HG2 19 CYX HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 227, 237, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 58 ASP HN 59 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 854, 855, 856,
&end
#
# 56 TYR HB2 58 ASP HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 802, 833, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 58 ASP HN 58 ASP HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 833, 837, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 57 PRO HG2 58 ASP HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 823, 833, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 25 SER HN 25 SER HB2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 24 LYS HB3 25 SER HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 311, 328, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 24 LYS HB2 25 SER HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 310, 328, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 6 TRP HH2 28 SER HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 87, 369, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 4 ILE QD1 28 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 52, 53, 54,
&end
#
# 32 TYR HN 32 TYR HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 427, 431, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 31 HID HN 32 TYR HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 410, 427, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 31 HID HB2 32 TYR HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 414, 427, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 27 PHE QD 28 SER HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 357, 365,
&end
#
# 27 PHE HB2 28 SER HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 353, 369, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 6 TRP HB2 7 ASN HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 76, 96, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 7 ASN HN 7 ASN HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 96, 101, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 4 ILE QG2 7 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 96, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 45, 46, 47,
&end
#
# 44 ASP QB 45 GLN HE22 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 604, 605,
&end
#
# 18 PRO HB3 20 GLY HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 231, 247, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 5 ASN HA 5 ASN HD21 4.95
&rst
ixpk= 0, nxpk= 0, iat= 60, 67, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 18 PRO HA 20 GLY HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 233, 247, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 19 CYX HB3 20 GLY HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 18 PRO HB2 20 GLY HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 230, 247, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 17 GLY HN 18 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY HN 13 GLY HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 11 LEU HN 12 GLY HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 145, 164, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 27 PHE HN 27 PHE QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 357, 365,
&end
#
# 27 PHE HN 28 SER HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 349, 369, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 25 SER HA 27 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 330, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 THR HN 35 GLU HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= 459, 475, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 33 SER HN 34 THR HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 448, 459, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 33 SER QB 34 THR HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 452, 453,
&end
#
# 44 ASP HN 45 GLN HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 42 CYX HA 45 GLN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 576, 612, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 43 VAL HA 45 GLN HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 586, 612, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 46 PHE HN 46 PHE QD 4.57
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 637, 645,
&end
#
# 46 PHE HN 47 ARG HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 629, 649, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 5 ASN HN 6 TRP HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= 58, 72, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 20 GLY HN 21 GLU HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 247, 254, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 19 CYX HA 21 GLU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 239, 254, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 21 GLU HN 22 GLN HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 21 GLU HN 21 GLU HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 254, 261, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 27 PHE HB3 28 SER HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= 354, 369, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 28 SER HN 29 CYX HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 369, 380, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 51 GLU HN 52 CYX HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 717, 732, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 48 ALA HA 51 GLU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= 675, 717, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 45 GLN HA 47 ARG HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 614, 649, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 44 ASP HA 47 ARG HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 602, 649, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 46 PHE HB2 47 ARG HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 633, 649, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 47 ARG HN 47 ARG QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 653, 654,
&end
#
# 47 ARG HN 48 ALA HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 649, 673, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 15 ALA QB 24 LYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 199, 200, 201,
&end
#
# 23 PHE HN 24 LYS HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 286, 306, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 PHE QD 24 LYS HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 294, 302,
&end
#
# 21 GLU HA 24 LYS HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 256, 306, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 36 GLU HN 37 ILE HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 488, 503, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 35 GLU HA 36 GLU HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 475, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 MET HN 50 GLN HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 683, 700, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 49 MET QB 50 GLN HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 687, 688,
&end
#
# 48 ALA QB 50 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 677, 678, 679,
&end
#
# 29 CYX HN 30 PHE HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 380, 390, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ILE HA 38 LYS HN 3.41
&rst
ixpk= 0, nxpk= 0, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 15 ALA HN 16 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 195, 205, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 37 ILE HN 40 SER HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 503, 556, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 35 GLU HB2 37 ILE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 477, 503, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 37 ILE HN 37 ILE QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 509, 510, 511,
&end
#
# 46 PHE HA 48 ALA HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 631, 673, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 48 ALA HN 49 MET HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 673, 683, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 44 ASP HA 48 ALA HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 602, 673, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 11 LEU HB3 12 GLY HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 150, 164, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 11 LEU HB2 12 GLY HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 149, 164, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 26 ALA HN 27 PHE HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 23 PHE HN 26 ALA HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 286, 339, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 25 SER HB2 26 ALA HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 53 MET HN 54 GLN HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 742, 759, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 17 GLY HA3 20 GLY HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 219, 247, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 1 ASN HD21 3 ASN HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 13, 25, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 24 LYS HN 25 SER HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 306, 328, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 5 ASN HD21 6 TRP HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 67, 72, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TYR HN 32 TYR QD 4.26
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 435, 444,
&end
#
# 19 CYX HN 20 GLY HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= 237, 247, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 60 TYR HN 60 TYR QE 5.07
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 874, 879,
&end
#
# 6 TRP HN 6 TRP HE1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 72, 82, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 59 LEU HN 60 TYR HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 845, 864, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 GLN HN 55 LYS HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 759, 776, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 28 SER QB 29 CYX HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 373, 374,
&end
#
# 42 CYX HN 42 CYX HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= 574, 579, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 56 TYR HN 56 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 806, 815,
&end
#
# 56 TYR HN 60 TYR QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 874, 879,
&end
#
# 6 TRP HH2 24 LYS HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 87, 306, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 6 TRP HH2 27 PHE HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 87, 349, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 6 TRP HE3 11 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 91, 152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 ASN HB3 1 ASN HD22 3.97
&rst
ixpk= 0, nxpk= 0, iat= 9, 14, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 58 ASP HN 59 LEU HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 833, 845, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 59 LEU HN 59 LEU QD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 858, 859, 860,
&end
#
# 33 SER QB 35 GLU HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 452, 453,
&end
#
# 11 LEU HB2 23 PHE QE 4.60
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 296, 300,
&end
#
# 11 LEU HA 23 PHE QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 296, 300,
&end
#
# 27 PHE QD 46 PHE QD 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 357, 365,
igr2= 637, 645,
&end
#
# 1 ASN HD21 3 ASN HD22 5.17
&rst
ixpk= 0, nxpk= 0, iat= 13, 35, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 42 CYX HA 45 GLN HE22 5.13
&rst
ixpk= 0, nxpk= 0, iat= 576, 625, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 23 PHE HA 23 PHE QD 3.38
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 294, 302,
&end
#
# 23 PHE HN 23 PHE QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 294, 302,
&end
#
# 30 PHE HN 30 PHE QD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 398, 406,
&end
#
# 3 ASN HD21 4 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 34, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 52, 53, 54,
&end
#
# 19 CYX HA 22 GLN HE22 5.41
&rst
ixpk= 0, nxpk= 0, iat= 239, 282, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 27 PHE QD 46 PHE QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 357, 365,
igr2= 639, 643,
&end
#
# 6 TRP HZ3 24 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 89, 316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 TRP HA 6 TRP HZ3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 74, 89, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 1 ASN HD21 3 ASN QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= 13, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 29, 30,
&end
#
# 56 TYR HA 58 ASP HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 800, 833, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 56 TYR HA 56 TYR QD 3.20
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 806, 815,
&end
#
# 56 TYR HA 56 TYR QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 808, 813,
&end
#
# 60 TYR HA 60 TYR QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 872, 881,
&end
#
# 7 ASN HA 7 ASN HD22 3.65
&rst
ixpk= 0, nxpk= 0, iat= 98, 106, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 3 ASN HA 3 ASN HD22 4.21
&rst
ixpk= 0, nxpk= 0, iat= 27, 35, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 3 ASN HA 3 ASN HD21 4.10
&rst
ixpk= 0, nxpk= 0, iat= 27, 34, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 7 ASN HA 7 ASN HD21 3.54
&rst
ixpk= 0, nxpk= 0, iat= 98, 105, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 3 ASN HA 6 TRP HE1 5.57
&rst
ixpk= 0, nxpk= 0, iat= 27, 82, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 3 ASN HA 4 ILE HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 27, 39, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 3 ASN HA 4 ILE QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 27, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 52, 53, 54,
&end
#
# 16 SER HA 17 GLY HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 207, 216, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 15 ALA QB 16 SER HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 207, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 199, 200, 201,
&end
#
# 34 THR HA 34 THR HB 2.61
&rst
ixpk= 0, nxpk= 0, iat= 461, 463, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 1 ASN HA 3 ASN HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 6, 25, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 1 ASN HA 1 ASN HD22 4.70
&rst
ixpk= 0, nxpk= 0, iat= 6, 14, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 1 ASN HA 1 ASN HD21 5.17
&rst
ixpk= 0, nxpk= 0, iat= 6, 13, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 5 ASN HA 5 ASN HD22 4.96
&rst
ixpk= 0, nxpk= 0, iat= 60, 68, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 6 TRP HA 6 TRP HE3 3.28
&rst
ixpk= 0, nxpk= 0, iat= 74, 91, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 44 ASP HA 48 ALA QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 677, 678, 679,
&end
#
# 52 CYX HA 54 GLN HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 734, 759, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 18 PRO HA 19 CYX HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 233, 239, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 46 PHE HA 49 MET HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 631, 683, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 46 PHE HA 46 PHE QD 3.76
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 637, 645,
&end
#
# 28 SER HA 31 HID HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 371, 414, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 SER HA 32 TYR QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 437, 442,
&end
#
# 24 LYS HA 25 SER HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 308, 330, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 32 TYR HA 32 TYR QD 3.13
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 435, 444,
&end
#
# 58 ASP HN 59 LEU HA 5.04
&rst
ixpk= 0, nxpk= 0, iat= 833, 847, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 47 ARG HA 47 ARG QD 3.65
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 659, 660,
&end
#
# 19 CYX HN 20 GLY HA2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 237, 249, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 37 ILE HB 40 SER HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= 507, 556, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 40 SER HB3 41 ASP HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 556, 562, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 45 GLN HA 48 ALA HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 614, 673, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 28 SER HN 28 SER QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 373, 374,
&end
#
# 6 TRP HH2 28 SER QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 373, 374,
&end
#
# 28 SER QB 32 TYR QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 373, 374,
igr2= 437, 442,
&end
#
# 28 SER QB 32 TYR QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 373, 374,
igr2= 435, 444,
&end
#
# 34 THR HA 35 GLU HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= 461, 475, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 53 MET HA 53 MET HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 744, 750, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 26 ALA HA 29 CYX QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 384, 385,
&end
#
# 55 LYS HA 55 LYS QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 789, 790,
&end
#
# 21 GLU HA 24 LYS HD3 5.16
&rst
ixpk= 0, nxpk= 0, iat= 256, 317, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 21 GLU HA 21 GLU HG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 256, 261, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 15 ALA QB 16 SER QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 199, 200, 201,
igr2= 209, 210,
&end
#
# 30 PHE HA 30 PHE QD 4.37
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 398, 406,
&end
#
# 29 CYX QB 30 PHE HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 384, 385,
&end
#
# 33 SER HN 33 SER QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 452, 453,
&end
#
# 57 PRO HD3 58 ASP HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 821, 833, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 56 TYR HN 57 PRO HD3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 798, 821, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 56 TYR QD 57 PRO HD3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 806, 815,
&end
#
# 56 TYR HA 57 PRO HD3 3.35
&rst
ixpk= 0, nxpk= 0, iat= 800, 821, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 43 VAL HA 46 PHE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 586, 629, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 VAL HA 46 PHE HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= 586, 634, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 38 LYS HA 38 LYS HE3 4.80
&rst
ixpk= 0, nxpk= 0, iat= 524, 536, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 38 LYS HA 38 LYS HE2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 524, 535, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 24 LYS HA 27 PHE HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 308, 349, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 6 TRP HZ2 24 LYS HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= 85, 308, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 6 TRP HZ3 24 LYS HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= 89, 308, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 15 ALA QB 24 LYS HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 199, 200, 201,
&end
#
# 18 PRO HD2 19 CYX HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 224, 237, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 18 PRO HD3 19 CYX HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 225, 237, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 4 ILE QG2 5 ASN HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 62, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 45, 46, 47,
&end
#
# 6 TRP HB2 6 TRP HD1 3.62
&rst
ixpk= 0, nxpk= 0, iat= 76, 80, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 6 TRP HB2 15 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 199, 200, 201,
&end
#
# 19 CYX HB2 22 GLN HE21 5.33
&rst
ixpk= 0, nxpk= 0, iat= 241, 281, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 19 CYX HB2 22 GLN QG 4.78
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 276, 277,
&end
#
# 30 PHE HN 32 TYR HB2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 390, 431, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 52 CYX HB3 53 MET HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 22 GLN HE22 52 CYX HB3 5.69
&rst
ixpk= 0, nxpk= 0, iat= 282, 737, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 52 CYX HN 52 CYX HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 732, 737, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 29 CYX HN 29 CYX QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 384, 385,
&end
#
# 29 CYX QB 30 PHE HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 384, 385,
&end
#
# 56 TYR HN 56 TYR QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 802, 803,
&end
#
# 56 TYR QB 58 ASP HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 802, 803,
&end
#
# 22 GLN HE22 52 CYX HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 282, 736, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 55 LYS HB3 55 LYS QE 3.69
&rst
ixpk= 0, nxpk= 0, iat= 781, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 789, 790,
&end
#
# 6 TRP HB3 15 ALA QB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 199, 200, 201,
&end
#
# 55 LYS HB2 55 LYS QE 5.03
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 789, 790,
&end
#
# 23 PHE HB2 24 LYS HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 290, 306, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 3 ASN HN 3 ASN QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 29, 30,
&end
#
# 2 GLY HN 3 ASN QB 5.25
&rst
ixpk= 0, nxpk= 0, iat= 18, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 29, 30,
&end
#
# 3 ASN QB 3 ASN HD22 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 29, 30,
&end
#
# 5 ASN HD22 7 ASN HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= 68, 101, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 58 ASP HA 58 ASP HB3 2.83
&rst
ixpk= 0, nxpk= 0, iat= 835, 838, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 58 ASP HB3 59 LEU HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= 838, 847, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 43 VAL QG2 44 ASP QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 594, 595, 596,
igr2= 604, 605,
&end
#
# 42 CYX HA 44 ASP QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 604, 605,
&end
#
# 44 ASP HA 44 ASP QB 2.88
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 604, 605,
&end
#
# 45 GLN HG3 45 GLN HE21 4.03
&rst
ixpk= 0, nxpk= 0, iat= 620, 624, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 58 ASP HA 58 ASP HB2 2.97
&rst
ixpk= 0, nxpk= 0, iat= 835, 837, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 22 GLN QG 52 CYX HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 276, 277,
&end
#
# 51 GLU HG2 52 CYX HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 724, 732, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 48 ALA HA 51 GLU HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 675, 724, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 45 GLN HN 45 GLN HG2 4.60
&rst
ixpk= 0, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 45 GLN HA 45 GLN HG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 31 HID HB2 32 TYR QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 437, 442,
&end
#
# 28 SER QB 31 HID HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 373, 374,
&end
#
# 22 GLN HN 22 GLN HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 269, 273, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 22 GLN HB2 52 CYX HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 273, 736, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 35 GLU HN 35 GLU QG 4.30
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 480, 481,
&end
#
# 36 GLU HG3 37 ILE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 19 CYX HB3 22 GLN HE21 4.03
&rst
ixpk= 0, nxpk= 0, iat= 242, 281, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 21 GLU HN 21 GLU HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 254, 262, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 21 GLU HG3 22 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLU HN 51 GLU HG3 4.94
&rst
ixpk= 0, nxpk= 0, iat= 717, 725, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 14 MET HG3 15 ALA HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 186, 195, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 35 GLU HB2 40 SER HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= 477, 556, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 35 GLU HN 35 GLU HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 473, 477, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 35 GLU HB2 41 ASP HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 477, 562, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 54 GLN HN 54 GLN HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 50 GLN HN 50 GLN QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 704, 705,
&end
#
# 45 GLN HB3 45 GLN HE21 4.81
&rst
ixpk= 0, nxpk= 0, iat= 617, 624, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 42 CYX HN 43 VAL HB 5.15
&rst
ixpk= 0, nxpk= 0, iat= 574, 588, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 24 LYS HB3 24 LYS QE 4.63
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 319, 320,
&end
#
# 51 GLU HN 51 GLU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 57 PRO HB2 58 ASP HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 826, 833, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 48 ALA QB 51 GLU HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 677, 678, 679,
&end
#
# 57 PRO QG 58 ASP HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 823, 824,
&end
#
# 51 GLU HB2 52 CYX HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 721, 732, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 56 TYR HA 57 PRO QG 4.46
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 823, 824,
&end
#
# 36 GLU HB3 37 ILE HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= 493, 503, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 53 MET QB 54 GLN HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 746, 747,
&end
#
# 53 MET HN 53 MET QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 742, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 746, 747,
&end
#
# 37 ILE HB 38 LYS HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 507, 522, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 37 ILE HB 40 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 507, 551, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LYS HB2 56 TYR HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 780, 798, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 47 ARG HA 47 ARG HG3 3.77
&rst
ixpk= 0, nxpk= 0, iat= 651, 657, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 49 MET QB 50 GLN HA 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 687, 688,
&end
#
# 27 PHE QD 38 LYS HB3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 357, 365,
&end
#
# 45 GLN HB2 45 GLN HE21 5.18
&rst
ixpk= 0, nxpk= 0, iat= 616, 624, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 35 GLU HB3 40 SER HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 478, 551, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 35 GLU HB3 36 GLU HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 478, 488, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 47 ARG HA 47 ARG HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 ARG HN 47 ARG HG2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 649, 656, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 55 LYS HN 55 LYS HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 776, 784, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 47 ARG HA 48 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 677, 678, 679,
&end
#
# 48 ALA HN 48 ALA QB 3.30
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 677, 678, 679,
&end
#
# 48 ALA QB 49 MET HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 683, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 677, 678, 679,
&end
#
# 45 GLN HA 48 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 677, 678, 679,
&end
#
# 21 GLU HA 24 LYS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 256, 311, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 15 ALA QB 16 SER HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 205, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 199, 200, 201,
&end
#
# 15 ALA QB 23 PHE QD 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 199, 200, 201,
igr2= 294, 302,
&end
#
# 6 TRP HZ3 15 ALA QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 199, 200, 201,
&end
#
# 37 ILE HA 37 ILE HG12 4.07
&rst
ixpk= 0, nxpk= 0, iat= 505, 513, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 55 LYS HB3 56 TYR HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 781, 798, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 4 ILE HA 4 ILE HG13 4.24
&rst
ixpk= 0, nxpk= 0, iat= 41, 50, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 26 ALA QB 46 PHE QD 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 343, 344, 345,
igr2= 637, 645,
&end
#
# 58 ASP HN 59 LEU HB2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 833, 849, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 59 LEU HB2 60 TYR HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 55 LYS HG2 55 LYS QE 3.94
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 789, 790,
&end
#
# 33 SER HN 34 THR QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 465, 466, 467,
&end
#
# 52 CYX HN 53 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 732, 750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 LYS HN 24 LYS HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 306, 313, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 6 TRP HZ2 24 LYS HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 85, 310, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 23 PHE QD 24 LYS HG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 294, 302,
&end
#
# 21 GLU HA 24 LYS HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 256, 313, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 24 LYS HB2 25 SER HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 310, 330, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 37 ILE HA 37 ILE HG13 4.19
&rst
ixpk= 0, nxpk= 0, iat= 505, 514, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 40 SER HA 43 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 590, 591, 592,
&end
#
# 42 CYX HN 43 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 590, 591, 592,
&end
#
# 43 VAL QG1 46 PHE QD 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 590, 591, 592,
igr2= 637, 645,
&end
#
# 42 CYX HA 43 VAL QG1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 590, 591, 592,
&end
#
# 43 VAL HA 43 VAL QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 590, 591, 592,
&end
#
# 43 VAL QG2 44 ASP HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 600, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 594, 595, 596,
&end
#
# 43 VAL QG2 46 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 594, 595, 596,
igr2= 637, 645,
&end
#
# 43 VAL QG2 47 ARG HG3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 594, 595, 596,
&end
#
# 43 VAL QG2 44 ASP HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 594, 595, 596,
&end
#
# 43 VAL HA 43 VAL QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 594, 595, 596,
&end
#
# 43 VAL QG2 47 ARG QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 594, 595, 596,
igr2= 659, 660,
&end
#
# 24 LYS HA 24 LYS HD3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 308, 317, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 24 LYS HN 24 LYS HD3 5.25
&rst
ixpk= 0, nxpk= 0, iat= 306, 317, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 6 TRP HZ2 24 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 85, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 MET HN 14 MET HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 178, 183, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 37 ILE QG2 40 SER HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 509, 510, 511,
&end
#
# 36 GLU HN 37 ILE QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 509, 510, 511,
&end
#
# 37 ILE QG2 38 LYS HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 509, 510, 511,
&end
#
# 37 ILE HA 37 ILE QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 509, 510, 511,
&end
#
# 37 ILE QG2 40 SER HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 509, 510, 511,
&end
#
# 37 ILE QG2 40 SER HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 509, 510, 511,
&end
#
# 24 LYS HN 24 LYS HD2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 306, 316, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 6 TRP HZ2 24 LYS HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 85, 316, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 24 LYS HA 24 LYS HD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 308, 316, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 24 LYS HB3 24 LYS HD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 311, 316, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 21 GLU HA 24 LYS HD2 5.68
&rst
ixpk= 0, nxpk= 0, iat= 256, 316, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 11 LEU HN 11 LEU HG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 145, 152, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 11 LEU HA 11 LEU HG 4.25
&rst
ixpk= 0, nxpk= 0, iat= 147, 152, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 59 LEU QD2 60 TYR QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 858, 859, 860,
igr2= 874, 879,
&end
#
# 58 ASP HN 59 LEU QD2 5.55
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 858, 859, 860,
&end
#
# 4 ILE HB 6 TRP HE1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 43, 82, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 4 ILE HB 6 TRP HZ2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 43, 85, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 4 ILE HB 5 ASN HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 43, 58, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 4 ILE QD1 31 HID HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 52, 53, 54,
&end
#
# 4 ILE QD1 6 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 52, 53, 54,
&end
#
# 4 ILE QD1 6 TRP HZ2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 52, 53, 54,
&end
#
# 59 LEU HN 59 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 854, 855, 856,
&end
#
# 59 LEU QD1 60 TYR QE 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 854, 855, 856,
igr2= 874, 879,
&end
#
# 4 ILE QD1 28 SER HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 52, 53, 54,
&end
#
# 4 ILE QD1 24 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 52, 53, 54,
&end
#
# 59 LEU QD1 60 TYR QD 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 854, 855, 856,
igr2= 872, 881,
&end
#
# 4 ILE QD1 27 PHE QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 52, 53, 54,
igr2= 357, 365,
&end
#
# 56 TYR HA 59 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 854, 855, 856,
&end
#
# 4 ILE QD1 28 SER QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 52, 53, 54,
igr2= 373, 374,
&end
#
# 4 ILE HA 4 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 52, 53, 54,
&end
#
# 57 PRO HD2 59 LEU QD1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 854, 855, 856,
&end
#
# 14 MET HB2 15 ALA HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 182, 195, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 4 ILE HG12 27 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 357, 365,
&end
#
# 4 ILE HG12 5 ASN HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 49, 58, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 11 LEU QQD 23 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 158, 159, 160, 154, 155, 156,
igr2= 294, 302,
&end
#
# 11 LEU HA 11 LEU QQD 4.02
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 158, 159, 160, 154, 155, 156,
&end
#
# 6 TRP HE3 11 LEU QQD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 158, 159, 160, 154, 155, 156,
&end
#
# 11 LEU QQD 23 PHE QE 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 158, 159, 160, 154, 155, 156,
igr2= 296, 300,
&end
#
# 11 LEU QQD 23 PHE HZ 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 298, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 158, 159, 160, 154, 155, 156,
&end
#
# 6 TRP HZ3 11 LEU QQD 5.43
&rst
ixpk= 0, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr2= 158, 159, 160, 154, 155, 156,
&end
#
# 4 ILE QG2 6 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 5 ASN HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 58, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 45, 46, 47,
&end
#
# 4 ILE HN 4 ILE QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 45, 46, 47,
&end
#
# 4 ILE QG2 6 TRP HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 6 TRP HZ2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 85, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 6 TRP HH2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 6 TRP HE3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 45, 46, 47,
&end
#
# 4 ILE QG2 27 PHE QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 45, 46, 47,
igr2= 357, 365,
&end
#
# 4 ILE HA 4 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 45, 46, 47,
&end
#
# 4 ILE QG2 4 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 45, 46, 47,
igr2= 52, 53, 54,
&end
#
# 4 ILE QG2 5 ASN HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 63, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 45, 46, 47,
&end
#
# 24 LYS HN 24 LYS HG3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 306, 314, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 15 ALA QB 24 LYS HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 199, 200, 201,
&end
#
# 21 GLU HA 24 LYS HG3 5.36
&rst
ixpk= 0, nxpk= 0, iat= 256, 314, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 11 LEU HG 70 HID HD2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 152,1030, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 11 LEU HG 70 HID HE1 3.57
&rst
ixpk= 0, nxpk= 0, iat= 152,1027, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 11 LEU HB2 66 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 963, 964, 965,
&end
#
# 14 MET QB 67 ILE QD1 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 182, 183,
igr2= 986, 987, 988,
&end
#
# 14 MET QG 67 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 185, 186,
igr2= 986, 987, 988,
&end
#
# 14 MET QB 67 ILE HG12 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 182, 183,
&end
#
# 46 PHE QD 74 MET HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 637, 645,
&end
#
# 46 PHE QD 77 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 637, 645,
igr2=1142,1143,1144,
&end
#
# 27 PHE QE 66 LEU HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 359, 363,
&end
#
# 46 PHE QE 74 MET HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1087, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 639, 643,
&end
#
# 27 PHE QD 66 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 357, 365,
igr2= 963, 964, 965,
&end
#
# 49 MET QB 74 MET HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 687, 688,
&end
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