NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
19883 |
2evz   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 30 SER QB 186 ILE QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 428, 429,
igr2=2909,2910,2911,
&end
#
# 30 SER HA 186 ILE QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2909,2910,2911,
&end
#
# 33 ILE HA 189 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 476,2959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ILE HB 189 HIS HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 478,2959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 33 ILE QG2 189 HIS HD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 480, 481, 482,
&end
#
# 33 ILE QD1 189 HIS HD2 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 487, 488, 489,
&end
#
# 33 ILE QD1 189 HIS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2951, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 487, 488, 489,
&end
#
# 33 ILE QD1 189 HIS HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2950, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 487, 488, 489,
&end
#
# 33 ILE QG2 189 HIS HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2950, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 480, 481, 482,
&end
#
# 33 ILE QD1 186 ILE HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2898, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 487, 488, 489,
&end
#
# 33 ILE QG2 186 ILE HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2898, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 480, 481, 482,
&end
#
# 33 ILE QD1 185 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr1= 487, 488, 489,
igr2=2886,2887,2888,
&end
#
# 33 ILE QG2 185 LEU QD2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 480, 481, 482,
igr2=2890,2891,2892,
&end
#
# 37 VAL QG1 185 LEU QD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 545, 546, 547,
igr2=2890,2891,2892,
&end
#
# 37 VAL QG2 185 LEU QD2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 549, 550, 551,
igr2=2890,2891,2892,
&end
#
# 37 VAL QG2 203 PHE QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 549, 550, 551,
igr2=3173,3181,
&end
#
# 37 VAL QG2 126 ILE HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 549, 550, 551,
&end
#
# 37 VAL QG2 126 ILE QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 549, 550, 551,
igr2=1972,1973,1974,
&end
#
# 38 TYR QD 126 ILE QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 563, 572,
igr2=1979,1980,1981,
&end
#
# 38 TYR QD 126 ILE QG2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 563, 572,
igr2=1972,1973,1974,
&end
#
# 38 TYR QE 126 ILE QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 565, 570,
igr2=1972,1973,1974,
&end
#
# 38 TYR QD 126 ILE HB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 563, 572,
&end
#
# 38 TYR HA 126 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1979,1980,1981,
&end
#
# 38 TYR HB3 126 ILE QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1972,1973,1974,
&end
#
# 38 TYR HA 126 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1972,1973,1974,
&end
#
# 38 TYR HB2 126 ILE QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1972,1973,1974,
&end
#
# 74 HIS HE1 178 VAL QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2788,2789,2790,
&end
#
# 112 LEU QD2 190 ASN HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2967, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1736,1737,1738,
&end
#
# 112 LEU QD1 190 ASN HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2967, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1732,1733,1734,
&end
#
# 115 PHE HZ 126 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1979,1980,1981,
&end
#
# 115 PHE QE 126 ILE QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1793,1797,
igr2=1979,1980,1981,
&end
#
# 115 PHE QD 123 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1791,1799,
igr2=1923,1931,
&end
#
# 115 PHE QD 123 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1791,1799,
igr2=1925,1929,
&end
#
# 115 PHE QE 123 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1793,1797,
igr2=1923,1931,
&end
#
# 115 PHE QE 123 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1793,1797,
igr2=1925,1929,
&end
#
# 115 PHE QE 123 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1927, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1793,1797,
&end
#
# 115 PHE HZ 123 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1923,1931,
&end
#
# 115 PHE HZ 123 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1925,1929,
&end
#
# 115 PHE HZ 123 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=1795,1927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 VAL QG2 203 PHE HN 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 549, 550, 551,
&end
#
# 38 TYR QD 127 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 563, 572,
&end
#
# 38 TYR QE 127 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 565, 570,
&end
#
# 112 LEU QD1 190 ASN HD22 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2973, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD1 190 ASN HD21 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2972, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD2 190 ASN HD21 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2972, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1736,1737,1738,
&end
#
# 112 LEU QD2 190 ASN HD22 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2973, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1736,1737,1738,
&end
#
# 16 LEU HN 16 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 211, 212, 213,
&end
#
# 21 LEU HN 21 LEU HG 4.95
&rst
ixpk= 0, nxpk= 0, iat= 277, 284, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 29 GLN HN 29 GLN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 34 LEU HN 34 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 502, 503, 504,
&end
#
# 38 TYR HN 38 TYR QE 5.31
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 565, 570,
&end
#
# 41 VAL HN 41 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 601, 602, 603,
&end
#
# 46 ILE HN 46 ILE QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 696, 697, 698,
&end
#
# 48 PHE HN 48 PHE QD 5.33
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 736, 744,
&end
#
# 52 GLU- HN 52 GLU- HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 806, 810, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 GLN HN 63 GLN HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 957, 965, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 66 LEU HN 66 LEU QD2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1014,1015,1016,
&end
#
# 70 HIS HN 70 HIS HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1058,1062, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 77 HIS HN 77 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS+ HN 79 LYS+ HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1197,1204, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 85 LEU HN 85 LEU HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat=1309,1314, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 88 HIS HN 88 HIS HD2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1361,1374, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 96 GLU- HN 96 GLU- QG 3.54
&rst
ixpk= 0, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1506,1507,
&end
#
# 112 LEU HN 112 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1736,1737,1738,
&end
#
# 126 ILE HN 126 ILE HG12 4.07
&rst
ixpk= 0, nxpk= 0, iat=1966,1976, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 126 ILE HN 126 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1972,1973,1974,
&end
#
# 132 THR HN 132 THR QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2060,2061,2062,
&end
#
# 133 LEU HN 133 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2077,2078,2079,
&end
#
# 159 LYS+ HN 159 LYS+ QG 5.19
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=2460,2461,
&end
#
# 150 LEU HN 150 LEU HG 4.34
&rst
ixpk= 0, nxpk= 0, iat=2332,2339, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 161 PHE HN 161 PHE QD 4.49
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2490,2498,
&end
#
# 163 PHE HN 163 PHE QD 4.22
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2532,2540,
&end
#
# 164 PHE HN 164 PHE QD 4.13
&rst
ixpk= 0, nxpk= 0, iat=2544, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2552,2560,
&end
#
# 172 LEU HN 172 LEU HG 4.50
&rst
ixpk= 0, nxpk= 0, iat=2688,2695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 174 GLN HN 174 GLN HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=2726,2733, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 177 SER HN 177 SER HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat=2767,2771, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 179 GLU- HN 179 GLU- HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat=2794,2802, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 203 PHE HN 203 PHE QD 4.51
&rst
ixpk= 0, nxpk= 0, iat=3165, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=3173,3181,
&end
#
# 9 ALA HN 9 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 127, 128, 129,
&end
#
# 11 ALA HN 11 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat= 140, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 144, 145, 146,
&end
#
# 13 ASN HN 13 ASN QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 161, 162,
&end
#
# 14 SER HN 14 SER HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 171, 175, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 17 LEU HN 17 LEU HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= 217, 222, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 37 VAL HN 37 VAL HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 43 ARG+ HN 43 ARG+ QB 3.90
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 632, 633,
&end
#
# 44 VAL HN 44 VAL HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 652, 656, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 52 GLU- HN 52 GLU- HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 806, 811, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 55 LEU HN 55 LEU HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 845, 850, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 62 ASN HN 62 ASN HB3 3.59
&rst
ixpk= 0, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 62 ASN HN 62 ASN HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat= 943, 947, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 65 GLN HN 65 GLN QB 3.19
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 988, 989,
&end
#
# 66 LEU HN 66 LEU HB3 3.40
&rst
ixpk= 0, nxpk= 0, iat=1001,1006, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 66 LEU HN 66 LEU HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat=1001,1005, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 68 MET HN 68 MET HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat=1030,1035, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 69 SER HN 69 SER QB 3.30
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1051,1052,
&end
#
# 70 HIS HN 70 HIS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 71 LEU HN 71 LEU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1075,1079, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 HIS HN 74 HIS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat=1115,1120, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 74 HIS HN 74 HIS HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 76 LEU HN 76 LEU HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1154,1159, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 76 LEU HN 76 LEU HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1154,1158, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 58 MET QE 59 ALA HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 908, 909, 910,
&end
#
# 79 LYS+ HN 79 LYS+ HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1197,1201, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 81 ILE HN 81 ILE HB 4.05
&rst
ixpk= 0, nxpk= 0, iat=1233,1237, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 82 ARG+ HN 82 ARG+ HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1252,1257, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 83 ILE HN 83 ILE HB 3.97
&rst
ixpk= 0, nxpk= 0, iat=1276,1280, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 84 THR HB 85 LEU HN 3.13
&rst
ixpk= 0, nxpk= 0, iat=1299,1309, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 96 GLU- HN 96 GLU- QB 2.84
&rst
ixpk= 0, nxpk= 0, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1503,1504,
&end
#
# 97 GLY HN 97 GLY HA1 2.89
&rst
ixpk= 0, nxpk= 0, iat=1514,1516, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 98 GLN HN 98 GLN HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1521,1525, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 100 ASP- HN 100 ASP- QB 3.93
&rst
ixpk= 0, nxpk= 0, iat=1553, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1557,1558,
&end
#
# 101 GLN HN 101 GLN QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1569,1570,
&end
#
# 106 ASP- HN 106 ASP- HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=1644,1649, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 106 ASP- HN 106 ASP- HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=1644,1648, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 112 LEU HN 112 LEU QB 3.92
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1727,1728,
&end
#
# 113 HIS HN 113 HIS HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat=1742,1747, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 125 ASN HN 125 ASN HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1952,1957, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 127 PHE HN 127 PHE HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1985,1990, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 127 PHE HN 127 PHE HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1985,1989, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 132 THR HN 132 THR HB 3.70
&rst
ixpk= 0, nxpk= 0, iat=2054,2058, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 133 LEU HN 133 LEU HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat=2068,2072, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 142 VAL HN 142 VAL HB 3.39
&rst
ixpk= 0, nxpk= 0, iat=2206,2210, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 144 GLU- HN 144 GLU- HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=2233,2238, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 144 GLU- HN 144 GLU- HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat=2233,2237, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 145 GLU- HN 145 GLU- QB 3.12
&rst
ixpk= 0, nxpk= 0, iat=2248, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=2252,2253,
&end
#
# 146 ASP- HN 146 ASP- QB 3.75
&rst
ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=2267,2268,
&end
#
# 148 LYS+ HN 148 LYS+ HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat=2294,2299, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 149 VAL HN 149 VAL HB 3.46
&rst
ixpk= 0, nxpk= 0, iat=2316,2320, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 149 VAL HN 149 VAL QG1 3.49
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2322,2323,2324,
&end
#
# 150 LEU HN 150 LEU HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat=2332,2337, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 150 LEU HN 150 LEU HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat=2332,2336, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 152 SER HN 152 SER HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat=2371,2375, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 153 SER HN 153 SER QB 3.15
&rst
ixpk= 0, nxpk= 0, iat=2382, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=2386,2387,
&end
#
# 157 VAL HN 157 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2431,2432,2433,
&end
#
# 159 LYS+ HN 159 LYS+ HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=2453,2458, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 159 LYS+ HN 159 LYS+ HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2453,2457, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 161 PHE HN 161 PHE QB 3.60
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2486,2487,
&end
#
# 162 LYS+ HN 162 LYS+ QB 3.59
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=2506,2507,
&end
#
# 163 PHE HN 163 PHE HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat=2524,2529, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 169 LYS+ HN 169 LYS+ HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat=2639,2644, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 169 LYS+ HN 169 LYS+ HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat=2639,2643, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 169 LYS+ HN 169 LYS+ QG 3.61
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2646,2647,
&end
#
# 172 LEU HN 172 LEU HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat=2688,2693, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 173 ILE HN 173 ILE HG12 4.95
&rst
ixpk= 0, nxpk= 0, iat=2707,2717, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 179 GLU- HN 179 GLU- HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat=2794,2798, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 183 GLN HN 183 GLN HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat=2850,2855, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 185 LEU HN 185 LEU HG 4.05
&rst
ixpk= 0, nxpk= 0, iat=2877,2884, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 186 ILE HN 186 ILE HB 3.88
&rst
ixpk= 0, nxpk= 0, iat=2896,2900, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 186 ILE HN 186 ILE QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat=2896, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2909,2910,2911,
&end
#
# 188 LEU HN 188 LEU HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=2927,2932, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 191 HIS HN 191 HIS HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=2977,2982, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 191 HIS HN 191 HIS HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat=2977,2981, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 192 ASP- HN 192 ASP- HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=2994,2999, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 193 LEU HN 193 LEU HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=3006,3011, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 193 LEU HN 193 LEU HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=3006,3010, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 195 GLU- HN 195 GLU- HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat=3032,3037, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 195 GLU- HN 195 GLU- HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat=3032,3036, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 197 HIS HN 197 HIS HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat=3061,3066, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 200 ARG+ HN 200 ARG+ HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat=3114,3119, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 204 SER HN 204 SER HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=3185,3190, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 205 LYS+ HN 205 LYS+ HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=3196,3201, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 206 SER HN 206 SER HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=3218,3223, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 207 THR HN 207 THR QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat=3229, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=3235,3236,3237,
&end
#
# 208 ILE HN 208 ILE HG13 3.94
&rst
ixpk= 0, nxpk= 0, iat=3243,3254, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 208 ILE HN 208 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat=3243, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=3256,3257,3258,
&end
#
# 199 LEU HN 199 LEU QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat=3095, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=3104,3105,3106,
&end
#
# 199 LEU HN 199 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat=3095, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=3108,3109,3110,
&end
#
# 197 HIS HN 197 HIS HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat=3061,3065, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 195 GLU- HN 195 GLU- QG 3.56
&rst
ixpk= 0, nxpk= 0, iat=3032, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=3039,3040,
&end
#
# 193 LEU HN 193 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat=3006, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=3015,3016,3017,
&end
#
# 193 LEU HN 193 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=3006, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=3019,3020,3021,
&end
#
# 189 HIS HN 189 HIS HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2946,2950, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 189 HIS HN 189 HIS HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=2946,2951, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 188 LEU HN 188 LEU HG 3.90
&rst
ixpk= 0, nxpk= 0, iat=2927,2934, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 177 SER HN 177 SER HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=2767,2772, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 175 MET HN 175 MET QG 4.36
&rst
ixpk= 0, nxpk= 0, iat=2743, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2750,2751,
&end
#
# 175 MET HN 175 MET HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=2743,2748, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 175 MET HN 175 MET HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=2743,2747, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 170 MET HN 170 MET HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat=2661,2666, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 165 GLN QB 166 LYS+ HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2581, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2568,2569,
&end
#
# 162 LYS+ HN 162 LYS+ HG3 4.12
&rst
ixpk= 0, nxpk= 0, iat=2502,2510, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 147 LEU HN 147 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2288,2289,2290,
&end
#
# 145 GLU- HN 145 GLU- HG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=2248,2255, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 115 PHE HN 115 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1791,1799,
&end
#
# 116 LYS+ HN 116 LYS+ HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat=1803,1808, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 123 PHE HN 123 PHE HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat=1915,1920, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 180 GLU- HN 180 GLU- HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat=2809,2813, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 117 LYS+ HN 117 LYS+ QG 3.50
&rst
ixpk= 0, nxpk= 0, iat=1825, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1832,1833,
&end
#
# 117 LYS+ HN 117 LYS+ HB3 3.24
&rst
ixpk= 0, nxpk= 0, iat=1825,1830, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 101 GLN HN 101 GLN QG 3.83
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1572,1573,
&end
#
# 99 GLU- HN 99 GLU- HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1538,1542, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 99 GLU- HN 99 GLU- HG3 3.64
&rst
ixpk= 0, nxpk= 0, iat=1538,1546, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 95 ARG+ HN 95 ARG+ HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1475,1479, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 95 ARG+ HN 95 ARG+ QD 4.42
&rst
ixpk= 0, nxpk= 0, iat=1475, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1485,1486,
&end
#
# 93 LEU HN 93 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1455,1456,1457,
&end
#
# 87 LYS+ HN 87 LYS+ QG 4.59
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1346,1347,
&end
#
# 87 LYS+ HN 87 LYS+ HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 83 ILE HN 83 ILE QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1282,1283,1284,
&end
#
# 79 LYS+ HN 79 LYS+ HD3 3.94
&rst
ixpk= 0, nxpk= 0, iat=1197,1208, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 79 LYS+ HN 79 LYS+ HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 76 LEU HN 76 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1163,1164,1165,
&end
#
# 75 LYS+ HN 75 LYS+ HD2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1132,1142, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 75 LYS+ HN 75 LYS+ HD3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1132,1143, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 71 LEU HN 71 LEU HG 4.34
&rst
ixpk= 0, nxpk= 0, iat=1075,1082, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 68 MET HN 68 MET QE 4.28
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1041,1042,1043,
&end
#
# 63 GLN HN 63 GLN HG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 957, 964, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 57 GLN HN 57 GLN HG3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 880, 888, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 57 GLN HN 57 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 880, 887, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 LEU HN 55 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 854, 855, 856,
&end
#
# 52 GLU- HN 52 GLU- HG3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 806, 814, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 46 ILE HN 46 ILE HG13 4.26
&rst
ixpk= 0, nxpk= 0, iat= 690, 701, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 44 VAL HN 44 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 662, 663, 664,
&end
#
# 43 ARG+ HN 43 ARG+ QG 4.05
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 635, 636,
&end
#
# 42 GLN HN 42 GLN HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 611, 618, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 25 ARG+ HN 25 ARG+ HD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 17 LEU HN 17 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 226, 227, 228,
&end
#
# 62 ASN HB2 62 ASN HD21 3.92
&rst
ixpk= 0, nxpk= 0, iat= 947, 952, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 62 ASN HB2 62 ASN HD22 4.01
&rst
ixpk= 0, nxpk= 0, iat= 947, 953, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 90 ASN HB3 90 ASN HD21 4.12
&rst
ixpk= 0, nxpk= 0, iat=1400,1404, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 109 ASN HB3 109 ASN HD21 3.73
&rst
ixpk= 0, nxpk= 0, iat=1689,1693, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 109 ASN HB3 109 ASN HD22 3.94
&rst
ixpk= 0, nxpk= 0, iat=1689,1694, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 125 ASN HB3 125 ASN HD22 4.15
&rst
ixpk= 0, nxpk= 0, iat=1957,1962, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 125 ASN HB3 125 ASN HD21 4.12
&rst
ixpk= 0, nxpk= 0, iat=1957,1961, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 154 ASN HB2 154 ASN HD22 4.06
&rst
ixpk= 0, nxpk= 0, iat=2397,2403, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 13 ASN QB 13 ASN HD21 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 161, 162,
&end
#
# 42 GLN HG2 42 GLN HE21 3.66
&rst
ixpk= 0, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 42 GLN HG2 42 GLN HE22 3.63
&rst
ixpk= 0, nxpk= 0, iat= 618, 624, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 101 GLN QG 101 GLN HE21 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1572,1573,
&end
#
# 101 GLN QG 101 GLN HE22 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1572,1573,
&end
#
# 65 GLN QB 65 GLN HE21 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 988, 989,
&end
#
# 65 GLN QB 65 GLN HE22 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 988, 989,
&end
#
# 107 TYR HN 107 TYR QD 4.92
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1664,1673,
&end
#
# 127 PHE HN 127 PHE QD 4.18
&rst
ixpk= 0, nxpk= 0, iat=1985, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1993,2001,
&end
#
# 167 ASP- HB3 168 ARG+ HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=2608,2615, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 206 SER HA 207 THR HN 2.86
&rst
ixpk= 0, nxpk= 0, iat=3220,3229, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 126 ILE HN 127 PHE HN 4.05
&rst
ixpk= 0, nxpk= 0, iat=1966,1985, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 9 ALA HN 10 GLY QA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 135, 136,
&end
#
# 9 ALA HA 10 GLY HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 125, 133, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 9 ALA QB 10 GLY HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 127, 128, 129,
&end
#
# 10 GLY QA 11 ALA HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 135, 136,
&end
#
# 12 GLY HN 13 ASN QB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 161, 162,
&end
#
# 11 ALA QB 12 GLY HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 150, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 144, 145, 146,
&end
#
# 13 ASN HN 13 ASN HD22 4.69
&rst
ixpk= 0, nxpk= 0, iat= 157, 167, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 12 GLY QA 13 ASN HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1= 152, 153,
&end
#
# 13 ASN HN 14 SER HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= 157, 173, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 11 ALA QB 13 ASN HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 144, 145, 146,
&end
#
# 13 ASN HN 16 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 213,
&end
#
# 13 ASN HN 14 SER HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 157, 171, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 164 PHE QD 165 GLN HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2564, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2552,2560,
&end
#
# 14 SER HN 15 VAL HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 171, 182, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 15 VAL HN 16 LEU HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 182, 198, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 16 LEU HN 57 GLN HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 198, 885, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 17 LEU HN 86 SER HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 217,1328, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 17 LEU HN 18 VAL HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 217, 236, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 16 LEU HB2 17 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 202, 217, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 LEU QD2 17 LEU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 211, 212, 213,
&end
#
# 16 LEU HB3 17 LEU HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 203, 217, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 17 LEU HG 18 VAL HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 224, 236, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 19 SER HN 20 ASN HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= 252, 263, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 18 VAL HN 19 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU QD2 19 SER HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 230, 231, 232,
&end
#
# 18 VAL HB 19 SER HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 240, 252, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 19 SER QB 20 ASN HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 256, 257,
&end
#
# 20 ASN HN 21 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 286, 287, 288,
&end
#
# 20 ASN HN 53 ASN QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= 263, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 830, 831,
&end
#
# 20 ASN HN 21 LEU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 263, 277, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 19 SER QB 21 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 256, 257,
&end
#
# 24 GLU- HN 26 VAL HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 324, 363, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 24 GLU- HN 25 ARG+ HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= 324, 339, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 25 ARG+ HN 26 VAL HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 339, 363, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 22 ASN HB2 25 ARG+ HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 300, 339, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 24 GLU- QG 25 ARG+ HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 331, 332,
&end
#
# 26 VAL QG1 27 THR HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 369, 370, 371,
&end
#
# 26 VAL QG2 27 THR HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 373, 374, 375,
&end
#
# 30 SER HN 31 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 424, 435, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 29 GLN HG2 30 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 414, 424, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 30 SER HN 31 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 448, 449, 450,
&end
#
# 31 LEU HN 32 PHE HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 435, 459, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 32 PHE HN 33 ILE HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 454, 474, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 31 LEU HB2 32 PHE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 439, 454, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 32 PHE QD 33 ILE HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 462, 470,
&end
#
# 32 PHE HB2 33 ILE HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 458, 474, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 32 PHE HB3 33 ILE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 459, 474, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 33 ILE HN 34 LEU HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 34 LEU HB3 35 PHE HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 498, 512, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 35 PHE QD 36 GLY HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 520, 528,
&end
#
# 36 GLY HN 37 VAL HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 35 PHE HB2 36 GLY HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 516, 532, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 VAL HN 38 TYR HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 539, 555, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 35 PHE HN 37 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 512, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HN 38 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 560, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL QG1 38 TYR HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 545, 546, 547,
&end
#
# 38 TYR HB3 39 GLY HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 560, 576, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 39 GLY HN 67 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1024,1025,1026,
&end
#
# 38 TYR HN 39 GLY HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 555, 576, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 39 GLY HN 40 ASP- HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 576, 583, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 37 VAL HN 39 GLY HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 539, 576, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 40 ASP- HN 41 VAL HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= 583, 595, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 41 VAL QG1 42 GLN HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 601, 602, 603,
&end
#
# 43 ARG+ HN 44 VAL HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 628, 652, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 43 ARG+ HN 57 GLN HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 628, 880, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 42 GLN HN 43 ARG+ HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 611, 628, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 43 ARG+ HN 44 VAL QG1 5.01
# &rst
# ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
# igr2= 658, 659, 660,
# &end
#
# 44 VAL HN 45 LYS+ HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 652, 668, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 43 ARG+ QB 44 VAL HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 632, 633,
&end
#
# 45 LYS+ HN 46 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, 692, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HB 45 LYS+ HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 656, 668, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 45 LYS+ HN 55 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 854, 855, 856,
&end
#
# 45 LYS+ HB3 46 ILE HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 673, 690, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 47 LEU HB2 48 PHE HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 713, 728, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 47 LEU QD2 48 PHE HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 722, 723, 724,
&end
#
# 47 LEU HG 48 PHE HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 716, 728, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 48 PHE HN 50 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 728, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 PHE QD 49 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 736, 744,
&end
#
# 48 PHE QB 49 ASN HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 732, 733,
&end
#
# 49 ASN HN 50 LYS+ HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HA 49 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 711, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HN 50 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, 762, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS+ HN 51 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 762, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU QD1 50 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 718, 719, 720,
&end
#
# 51 LYS+ HN 52 GLU- HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 784, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LYS+ HB3 51 LYS+ HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 767, 784, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 47 LEU HG 51 LYS+ HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 716, 784, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 52 GLU- HN 53 ASN HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 806, 821, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 21 LEU QD2 52 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 47 LEU HN 55 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 709, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 LEU HB3 134 HIS HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=2073,2087, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 133 LEU HB2 134 HIS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=2072,2087, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 57 GLN HG3 58 MET HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 888, 897, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 58 MET HN 59 ALA HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 897, 914, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 42 GLN HN 59 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ALA HN 60 ASP- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 914, 924, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 60 ASP- HN 61 GLY HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 924, 936, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 60 ASP- HN 63 GLN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 924, 957, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 61 GLY HN 63 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLY HN 64 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLY HN 64 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 978, 979, 980,
&end
#
# 62 ASN HN 63 GLN HN 3.99
&rst
ixpk= 0, nxpk= 0, iat= 943, 957, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 62 ASN HN 62 ASN HD21 4.72
&rst
ixpk= 0, nxpk= 0, iat= 943, 952, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 62 ASN HN 64 ALA HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 943, 974, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 GLN HN 64 ALA HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 957, 974, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 63 GLN HN 63 GLN HE21 5.22
&rst
ixpk= 0, nxpk= 0, iat= 957, 969, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 65 GLN HN 66 LEU HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= 984,1001, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 64 ALA HN 65 GLN HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 974, 984, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 65 GLN HN 65 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 984, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ALA HN 66 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 974,1001, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 65 GLN QG 66 LEU HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 991, 992,
&end
#
# 66 LEU HN 67 ALA HN 3.77
&rst
ixpk= 0, nxpk= 0, iat=1001,1020, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 66 LEU QD1 67 ALA HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1010,1011,1012,
&end
#
# 66 LEU QD2 67 ALA HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1014,1015,1016,
&end
#
# 38 TYR HB3 67 ALA HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 560,1020, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 65 GLN HN 67 ALA HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 984,1020, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 38 TYR QD 67 ALA HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 563, 572,
&end
#
# 67 ALA HN 68 MET HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1020,1030, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 68 MET HN 71 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=1030,1075, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 68 MET HN 70 HIS HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=1030,1058, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 68 MET HN 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 69 SER HN 70 HIS HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=1047,1058, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 67 ALA HA 69 SER HN 5.22
&rst
ixpk= 0, nxpk= 0, iat=1022,1047, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 67 ALA QB 69 SER HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1024,1025,1026,
&end
#
# 68 MET HB2 69 SER HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=1034,1047, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 70 HIS HN 71 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1058,1075, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 70 HIS HN 72 ASN HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1058,1094, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 69 SER QB 70 HIS HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1051,1052,
&end
#
# 70 HIS HN 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 70 HIS HN 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1084,1085,1086,
&end
#
# 71 LEU HN 72 ASN HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=1075,1094, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 72 ASN HN 73 GLY HN 4.75
&rst
ixpk= 0, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 72 ASN HN 72 ASN HD22 4.93
&rst
ixpk= 0, nxpk= 0, iat=1094,1104, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 70 HIS HA 72 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1060,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLY HN 74 HIS HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 72 ASN HB2 73 GLY HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1098,1108, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 72 ASN HB3 73 GLY HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1099,1108, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 73 GLY HN 81 ILE HB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1108,1237, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 73 GLY HN 81 ILE QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1239,1240,1241,
&end
#
# 73 GLY HN 83 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1289,1290,1291,
&end
#
# 74 HIS HN 81 ILE QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1239,1240,1241,
&end
#
# 71 LEU QD1 74 HIS HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1084,1085,1086,
&end
#
# 74 HIS HB2 75 LYS+ HN 4.70
&rst
ixpk= 0, nxpk= 0, iat=1119,1132, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 74 HIS HB3 75 LYS+ HN 4.30
&rst
ixpk= 0, nxpk= 0, iat=1120,1132, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 74 HIS HN 75 LYS+ HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1115,1132, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 75 LYS+ HN 76 LEU HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1132,1154, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 76 LEU HN 79 LYS+ HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1154,1197, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 76 LEU HN 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 HIS HN 78 GLY HA2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1173,1193, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 76 LEU HB2 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS+ HD3 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1143,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HB3 77 HIS HN 4.47
&rst
ixpk= 0, nxpk= 0, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 76 LEU QD1 77 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1163,1164,1165,
&end
#
# 77 HIS HN 78 GLY HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=1173,1190, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 76 LEU HN 78 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1154,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU QD2 78 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1167,1168,1169,
&end
#
# 76 LEU HB3 78 GLY HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1159,1190, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 78 GLY HN 79 LYS+ HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat=1190,1202, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 75 LYS+ HB2 78 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1136,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLY HN 79 LYS+ HD3 5.04
&rst
ixpk= 0, nxpk= 0, iat=1190,1208, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 78 GLY HN 79 LYS+ HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1190,1204, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 78 GLY HN 79 LYS+ HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1190,1197, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 77 HIS HN 79 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1173,1197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 ILE HN 82 ARG+ HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=1233,1252, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 82 ARG+ HN 83 ILE HN 5.38
&rst
ixpk= 0, nxpk= 0, iat=1252,1276, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 81 ILE HB 82 ARG+ HN 4.08
&rst
ixpk= 0, nxpk= 0, iat=1237,1252, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 81 ILE QD1 82 ARG+ HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1246,1247,1248,
&end
#
# 72 ASN HD22 83 ILE HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=1104,1276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 72 ASN HA 83 ILE HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1096,1276, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 83 ILE HN 84 THR HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=1276,1297, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 72 ASN HB3 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1099,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HB 84 THR HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 17 LEU HN 85 LEU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= 217,1309, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 84 THR HN 85 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1295,1309, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 ASN HD21 86 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 166,1328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HD22 86 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 167,1328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 SER HN 87 LYS+ HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1328,1339, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 85 LEU HB2 86 SER HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=1313,1328, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 87 LYS+ HB3 88 HIS HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1344,1361, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 87 LYS+ QG 88 HIS HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1346,1347,
&end
#
# 87 LYS+ HB2 88 HIS HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=1343,1361, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 86 SER HB3 88 HIS HN 5.41
&rst
ixpk= 0, nxpk= 0, iat=1333,1361, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 86 SER HB2 88 HIS HN 5.48
&rst
ixpk= 0, nxpk= 0, iat=1332,1361, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 90 ASN HN 91 VAL HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=1395,1409, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 90 ASN HN 91 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395,1411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 91 VAL HA 92 GLN HN 3.56
&rst
ixpk= 0, nxpk= 0, iat=1411,1425, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 158 VAL HN 175 MET QG 3.99
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2750,2751,
&end
#
# 96 GLU- HN 97 GLY HN 3.91
&rst
ixpk= 0, nxpk= 0, iat=1499,1514, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 95 ARG+ HA 96 GLU- HN 2.90
&rst
ixpk= 0, nxpk= 0, iat=1477,1499, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 95 ARG+ QD 96 GLU- HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1485,1486,
&end
#
# 95 ARG+ HB2 96 GLU- HN 3.41
&rst
ixpk= 0, nxpk= 0, iat=1479,1499, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 97 GLY HN 98 GLN HA 4.61
&rst
ixpk= 0, nxpk= 0, iat=1514,1523, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 96 GLU- QB 97 GLY HN 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1503,1504,
&end
#
# 96 GLU- QG 97 GLY HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1506,1507,
&end
#
# 95 ARG+ HB3 97 GLY HN 5.28
&rst
ixpk= 0, nxpk= 0, iat=1480,1514, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 95 ARG+ HB2 97 GLY HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=1479,1514, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 95 ARG+ HN 97 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1475,1514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLN HN 99 GLU- HN 4.06
&rst
ixpk= 0, nxpk= 0, iat=1521,1538, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 178 VAL HN 180 GLU- HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=2778,2809, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 178 VAL QG2 180 GLU- HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2809, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2788,2789,2790,
&end
#
# 178 VAL QG1 180 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2809, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2784,2785,2786,
&end
#
# 99 GLU- HN 100 ASP- HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1538,1553, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 188 LEU HB2 189 HIS HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=2931,2946, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 99 GLU- HG3 100 ASP- HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1546,1553, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 99 GLU- HB2 100 ASP- HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1542,1553, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 131 ALA HN 132 THR HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=2044,2054, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 100 ASP- HA 101 GLN HN 3.19
&rst
ixpk= 0, nxpk= 0, iat=1555,1565, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 101 GLN HN 101 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1565,1578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 ASP- QB 101 GLN HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1557,1558,
&end
#
# 185 LEU HN 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 185 LEU HN 187 ASP- HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat=2877,2920, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 183 GLN HA 185 LEU HN 4.75
&rst
ixpk= 0, nxpk= 0, iat=2852,2877, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 185 LEU HN 188 LEU HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2877,2927, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 102 GLY HN 103 LEU HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1582,1591, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 102 GLY HN 103 LEU HN 4.30
&rst
ixpk= 0, nxpk= 0, iat=1582,1589, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 102 GLY HN 104 THR HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=1582,1608, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 100 ASP- QB 102 GLY HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1557,1558,
&end
#
# 102 GLY HN 103 LEU QB 5.08
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1593,1594,
&end
#
# 101 GLN QG 102 GLY HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1572,1573,
&end
#
# 103 LEU HN 104 THR HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1589,1608, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 103 LEU QB 104 THR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1593,1594,
&end
#
# 104 THR HN 105 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1608,1622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS+ HA 106 ASP- HN 3.42
&rst
ixpk= 0, nxpk= 0, iat=1624,1644, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 105 LYS+ HB3 106 ASP- HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1627,1644, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 106 ASP- HN 107 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 106 ASP- HN 107 TYR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1644,1656, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 105 LYS+ HN 106 ASP- HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=1622,1644, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 105 LYS+ HA 107 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR HN 108 GLY QA 5.02
&rst
ixpk= 0, nxpk= 0, iat=1656, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1679,1680,
&end
#
# 106 ASP- HB3 107 TYR HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=1649,1656, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 105 LYS+ HB3 107 TYR HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1627,1656, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 108 GLY HN 109 ASN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1677,1684, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 106 ASP- HN 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1644,1677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR QD 108 GLY HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1677, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1664,1673,
&end
#
# 107 TYR HB2 108 GLY HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1660,1677, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 107 TYR HB3 108 GLY HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1661,1677, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 106 ASP- HB3 108 GLY HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=1649,1677, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 109 ASN HB2 110 SER HN 5.38
&rst
ixpk= 0, nxpk= 0, iat=1688,1698, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 107 TYR HB2 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1660,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 TYR QD 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1664,1673,
&end
#
# 109 ASN HN 110 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1684,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU QD1 113 HIS HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1732,1733,1734,
&end
#
# 146 ASP- HN 147 LEU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=2263,2275, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 145 GLU- HN 146 ASP- HN 3.85
&rst
ixpk= 0, nxpk= 0, iat=2248,2263, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 143 SER HN 146 ASP- HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=2222,2263, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 143 SER HB3 146 ASP- HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=2227,2263, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 125 ASN HN 126 ILE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=1952,1966, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 130 SER HN 132 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HN 203 PHE HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat=2033,3169, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 130 SER HB2 132 THR HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=2037,2054, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 132 THR HN 133 LEU HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2054,2068, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 133 LEU HN 173 ILE HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=2068,2707, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 133 LEU HN 172 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2690, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LEU HN 56 VAL HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 845, 864, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 134 HIS HN 135 LEU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=2087,2104, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 134 HIS HB3 135 LEU HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2092,2104, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 134 HIS HB2 135 LEU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=2091,2104, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 159 LYS+ HN 176 GLY HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2453,2760, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 159 LYS+ HN 175 MET HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=2453,2743, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 158 VAL HB 159 LYS+ HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=2441,2453, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 160 GLY HN 175 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2475,2743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HN 160 GLY HN 3.83
&rst
ixpk= 0, nxpk= 0, iat=2453,2475, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 160 GLY HN 161 PHE QB 4.71
&rst
ixpk= 0, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2486,2487,
&end
#
# 135 LEU HN 136 SER HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2104,2123, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 136 SER HN 137 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123,2139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 LEU HB2 136 SER HN 4.06
&rst
ixpk= 0, nxpk= 0, iat=2108,2123, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 135 LEU HG 136 SER HN 4.59
&rst
ixpk= 0, nxpk= 0, iat=2111,2123, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 135 LEU HB3 136 SER HN 4.47
&rst
ixpk= 0, nxpk= 0, iat=2109,2123, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 135 LEU QD1 136 SER HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2113,2114,2115,
&end
#
# 136 SER HN 171 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2682,2683,2684,
&end
#
# 141 SER HB2 142 VAL HN 4.22
&rst
ixpk= 0, nxpk= 0, iat=2199,2206, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 142 VAL HN 143 SER HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=2206,2222, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 141 SER HB3 142 VAL HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=2200,2206, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 142 VAL HN 146 ASP- QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2267,2268,
&end
#
# 143 SER HN 145 GLU- HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=2222,2248, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 143 SER HN 146 ASP- QB 4.15
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2267,2268,
&end
#
# 142 VAL HB 143 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=2210,2222, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 143 SER HN 147 LEU QD2 5.20
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2288,2289,2290,
&end
#
# 144 GLU- HN 146 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2233,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HN 147 LEU QD2 5.32
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2288,2289,2290,
&end
#
# 144 GLU- HN 145 GLU- HN 4.06
&rst
ixpk= 0, nxpk= 0, iat=2233,2248, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 145 GLU- HN 147 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=2248,2275, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 143 SER HB2 145 GLU- HN 4.16
&rst
ixpk= 0, nxpk= 0, iat=2226,2248, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 143 SER HB3 145 GLU- HN 4.47
&rst
ixpk= 0, nxpk= 0, iat=2227,2248, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 145 GLU- HN 146 ASP- QB 4.64
&rst
ixpk= 0, nxpk= 0, iat=2248, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2267,2268,
&end
#
# 145 GLU- HN 149 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=2248, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2326,2327,2328,
&end
#
# 147 LEU HN 148 LYS+ HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=2275,2294, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 147 LEU HN 149 VAL HB 5.43
&rst
ixpk= 0, nxpk= 0, iat=2275,2320, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 147 LEU HN 150 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2345,2346,2347,
&end
#
# 148 LYS+ HN 149 VAL HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=2294,2318, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 184 ALA HN 187 ASP- HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat=2867,2920, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 147 LEU QD1 148 LYS+ HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2294, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2284,2285,2286,
&end
#
# 149 VAL HN 151 PHE HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2316,2351, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 147 LEU HN 149 VAL HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=2275,2316, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 149 VAL HN 150 LEU HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=2316,2334, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 148 LYS+ QG 149 VAL HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2316, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=2301,2302,
&end
#
# 149 VAL HN 150 LEU HN 3.85
&rst
ixpk= 0, nxpk= 0, iat=2316,2332, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 150 LEU HN 151 PHE QD 5.21
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2359,2367,
&end
#
# 149 VAL HA 151 PHE HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=2318,2351, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 150 LEU HG 151 PHE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=2339,2351, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 151 PHE HN 152 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2351,2373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE HN 152 SER HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=2351,2371, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 152 SER HN 154 ASN HN 4.59
&rst
ixpk= 0, nxpk= 0, iat=2371,2393, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 149 VAL HA 152 SER HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=2318,2371, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 151 PHE QB 152 SER HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2371, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2355,2356,
&end
#
# 151 PHE QD 152 SER HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2371, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2359,2367,
&end
#
# 151 PHE HN 153 SER HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=2351,2382, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 153 SER HN 154 ASN HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat=2382,2398, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 149 VAL HA 153 SER HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=2318,2382, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 154 ASN HN 155 GLY HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=2393,2407, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 151 PHE HN 154 ASN HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=2351,2393, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 154 ASN HN 154 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=2393,2403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 SER QB 154 ASN HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=2386,2387,
&end
#
# 155 GLY HN 156 GLY HN 3.30
&rst
ixpk= 0, nxpk= 0, iat=2407,2414, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 153 SER HN 155 GLY HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=2382,2407, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 154 ASN HA 155 GLY HN 3.48
&rst
ixpk= 0, nxpk= 0, iat=2395,2407, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 154 ASN HB2 155 GLY HN 4.22
&rst
ixpk= 0, nxpk= 0, iat=2397,2407, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 154 ASN HB3 155 GLY HN 4.20
&rst
ixpk= 0, nxpk= 0, iat=2398,2407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 154 ASN HB2 156 GLY HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2397,2414, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 154 ASN HB3 156 GLY HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2398,2414, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 157 VAL HN 176 GLY HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=2421,2760, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 156 GLY HN 157 VAL HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2414,2421, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 157 VAL HN 175 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2421,2745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 156 GLY HA1 157 VAL HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=2416,2421, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 157 VAL HN 175 MET QG 4.59
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2750,2751,
&end
#
# 157 VAL HN 158 VAL HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=2421,2437, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 158 VAL HN 159 LYS+ HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2437,2453, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 158 VAL HN 176 GLY HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=2437,2760, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 161 PHE HN 162 LYS+ HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=2482,2502, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 162 LYS+ HN 172 LEU HN 4.29
&rst
ixpk= 0, nxpk= 0, iat=2502,2688, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 162 LYS+ HN 163 PHE HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=2502,2524, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 161 PHE QD 162 LYS+ HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2490,2498,
&end
#
# 162 LYS+ HN 172 LEU HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=2502,2690, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 161 PHE HA 162 LYS+ HN 3.59
&rst
ixpk= 0, nxpk= 0, iat=2484,2502, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 161 PHE QB 162 LYS+ HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2486,2487,
&end
#
# 162 LYS+ QB 163 PHE HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=2506,2507,
&end
#
# 163 PHE HN 164 PHE HN 4.58
&rst
ixpk= 0, nxpk= 0, iat=2524,2544, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 164 PHE HB3 165 GLN HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2549,2564, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 167 ASP- HN 168 ARG+ HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=2603,2615, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 168 ARG+ HN 169 LYS+ HB3 5.05
# &rst
# ixpk= 0, nxpk= 0, iat=2615,2644, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 168 ARG+ HN 169 LYS+ HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=2615,2639, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 169 LYS+ HN 170 MET HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=2639,2663, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 167 ASP- HB2 169 LYS+ HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=2607,2639, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 170 MET HN 171 ALA HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=2661,2678, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 169 LYS+ HN 170 MET HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=2639,2661, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 164 PHE QD 170 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2552,2560,
&end
#
# 168 ARG+ HA 170 MET HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=2617,2661, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 164 PHE HB3 170 MET HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=2549,2661, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 164 PHE HB2 170 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2548,2661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 MET HN 171 ALA QB 5.35
&rst
ixpk= 0, nxpk= 0, iat=2661, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2682,2683,2684,
&end
#
# 170 MET HB3 171 ALA HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=2666,2678, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 172 LEU HN 173 ILE HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=2688,2707, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 171 ALA HN 172 LEU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat=2678,2688, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 174 GLN HN 175 MET HN 5.29
&rst
ixpk= 0, nxpk= 0, iat=2726,2743, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 160 GLY HA2 174 GLN HN 5.44
&rst
ixpk= 0, nxpk= 0, iat=2478,2726, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 173 ILE HB 174 GLN HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=2711,2726, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 175 MET HN 176 GLY HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=2743,2760, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 174 GLN HB3 175 MET HN 4.26
&rst
ixpk= 0, nxpk= 0, iat=2731,2743, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 175 MET QG 176 GLY HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2750,2751,
&end
#
# 176 GLY HN 177 SER HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=2760,2767, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 177 SER HN 178 VAL HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=2767,2778, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 175 MET HA 177 SER HN 4.49
&rst
ixpk= 0, nxpk= 0, iat=2745,2767, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 177 SER HB2 178 VAL HN 4.09
&rst
ixpk= 0, nxpk= 0, iat=2771,2778, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 178 VAL HN 179 GLU- HN 4.26
&rst
ixpk= 0, nxpk= 0, iat=2778,2794, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 179 GLU- HN 180 GLU- HN 4.30
&rst
ixpk= 0, nxpk= 0, iat=2794,2809, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 177 SER HN 179 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2767,2794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 181 ALA HN 184 ALA HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=2824,2867, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 176 GLY HN 181 ALA HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=2760,2824, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 178 VAL HN 181 ALA HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=2778,2824, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 177 SER HN 181 ALA HN 4.31
&rst
ixpk= 0, nxpk= 0, iat=2767,2824, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 181 ALA HN 184 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2871,2872,2873,
&end
#
# 178 VAL QG2 181 ALA HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2788,2789,2790,
&end
#
# 182 VAL HN 183 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2834,2852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HN 185 LEU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=2850,2877, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 183 GLN HN 183 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=2850,2863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 181 ALA QB 183 GLN HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2850, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2828,2829,2830,
&end
#
# 182 VAL QG2 183 GLN HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=2844,2845,2846,
&end
#
# 184 ALA HN 185 LEU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=2867,2877, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 182 VAL HN 184 ALA HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=2834,2867, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 149 VAL HN 150 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2345,2346,2347,
&end
#
# 184 ALA HA 186 ILE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=2869,2896, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 183 GLN HE22 186 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2863,2896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 185 LEU QD2 186 ILE HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2890,2891,2892,
&end
#
# 154 ASN HD21 187 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2402,2915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 184 ALA QB 187 ASP- HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2915, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2871,2872,2873,
&end
#
# 185 LEU QD1 187 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2915, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 187 ASP- HN 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2915, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 184 ALA HA 188 LEU HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=2869,2927, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 185 LEU HA 188 LEU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat=2879,2927, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 185 LEU QD1 188 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2927, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 191 HIS HN 199 LEU HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=2977,3095, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 191 HIS HN 192 ASP- HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=2977,2996, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 190 ASN HB2 191 HIS HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=2967,2977, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 191 HIS HN 199 LEU HB3 4.19
&rst
ixpk= 0, nxpk= 0, iat=2977,3100, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 191 HIS HN 199 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2977, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=3108,3109,3110,
&end
#
# 190 ASN HB3 191 HIS HN 4.30
&rst
ixpk= 0, nxpk= 0, iat=2968,2977, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 192 ASP- HN 193 LEU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=2994,3006, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 191 HIS HB2 192 ASP- HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=2981,2994, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 191 HIS HB3 192 ASP- HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=2982,2994, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 192 ASP- HN 199 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2994, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3108,3109,3110,
&end
#
# 191 HIS HD2 192 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2990,2994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HN 193 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2994,3010, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 193 LEU HN 194 GLY HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=3006,3025, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 192 ASP- HB3 193 LEU HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=2999,3006, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 191 HIS HB3 193 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2982,3006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 191 HIS HD2 193 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2990,3006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 196 ASN HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=3025,3047, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 193 LEU QD2 194 GLY HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=3019,3020,3021,
&end
#
# 195 GLU- HN 196 ASN HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=3032,3047, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 194 GLY HN 195 GLU- HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=3025,3032, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 194 GLY HA1 195 GLU- HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=3027,3032, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 194 GLY HA2 195 GLU- HN 3.62
&rst
ixpk= 0, nxpk= 0, iat=3028,3032, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 195 GLU- HN 196 ASN HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat=3032,3052, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 195 GLU- QG 196 ASN HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,3047, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=3039,3040,
&end
#
# 195 GLU- HB3 196 ASN HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=3037,3047, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 196 ASN HN 197 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3047,3065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HD22 198 HIS HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=2144,3078, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 198 HIS HN 199 LEU HN 5.40
&rst
ixpk= 0, nxpk= 0, iat=3078,3095, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 197 HIS HB3 198 HIS HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=3066,3078, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 197 HIS HB2 198 HIS HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=3065,3078, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 198 HIS HB2 199 LEU HN 4.66
&rst
ixpk= 0, nxpk= 0, iat=3082,3095, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 198 HIS HB3 199 LEU HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=3083,3095, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 201 VAL HN 202 SER HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=3138,3156, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 200 ARG+ HB3 201 VAL HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=3119,3138, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 74 HIS HN 81 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1246,1247,1248,
&end
#
# 74 HIS HN 81 ILE HB 4.82
&rst
ixpk= 0, nxpk= 0, iat=1115,1237, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 202 SER HN 203 PHE HN 5.22
&rst
ixpk= 0, nxpk= 0, iat=3154,3165, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 203 PHE QD 204 SER HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=3173,3181,
&end
#
# 130 SER HN 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HB2 204 SER HN 4.88
&rst
ixpk= 0, nxpk= 0, iat=2037,3185, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 203 PHE HB3 204 SER HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=3170,3185, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 134 HIS HB2 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2091,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HN 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 PHE QE 205 LYS+ HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,3196, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1995,1999,
&end
#
# 204 SER HB3 205 LYS+ HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=3190,3196, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 205 LYS+ HN 206 SER HN 4.48
&rst
ixpk= 0, nxpk= 0, iat=3196,3218, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 204 SER HB3 206 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3190,3218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 205 LYS+ HB2 206 SER HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=3200,3218, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 206 SER HB3 207 THR HN 3.66
&rst
ixpk= 0, nxpk= 0, iat=3223,3229, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 206 SER HB2 207 THR HN 3.49
&rst
ixpk= 0, nxpk= 0, iat=3222,3229, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 206 SER HN 207 THR HN 4.42
&rst
ixpk= 0, nxpk= 0, iat=3218,3229, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 192 ASP- HN 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2994,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HN 193 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2994,3008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HN 190 ASN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=2946,2963, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 189 HIS HB2 190 ASN HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2950,2963, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 188 LEU HB3 189 HIS HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=2932,2946, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 188 LEU QD1 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2936,2937,2938,
&end
#
# 188 LEU QD2 189 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2946, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 99 GLU- HN 100 ASP- QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1557,1558,
&end
#
# 178 VAL QG2 182 VAL HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2834, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2788,2789,2790,
&end
#
# 169 LYS+ HB3 170 MET HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=2644,2661, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 165 GLN HG2 166 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2571,2581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 164 PHE HB2 165 GLN HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=2548,2564, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 159 LYS+ HA 160 GLY HN 3.58
&rst
ixpk= 0, nxpk= 0, iat=2455,2475, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 160 GLY HN 161 PHE HN 4.24
&rst
ixpk= 0, nxpk= 0, iat=2475,2482, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 160 GLY HN 174 GLN HN 4.32
&rst
ixpk= 0, nxpk= 0, iat=2475,2726, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 159 LYS+ HN 160 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 197 HIS HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=3025,3061, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 195 GLU- HN 197 HIS HN 5.01
&rst
ixpk= 0, nxpk= 0, iat=3032,3061, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 196 ASN HN 197 HIS HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=3047,3061, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 194 GLY HA2 197 HIS HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=3028,3061, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 115 PHE HB3 116 LYS+ HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=1788,1803, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 196 ASN HB3 197 HIS HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=3052,3061, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 196 ASN HA 197 HIS HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=3049,3061, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 90 ASN HA 91 VAL HN 3.42
&rst
ixpk= 0, nxpk= 0, iat=1397,1409, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 57 GLN HE22 91 VAL HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 893,1409, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 57 GLN HE21 91 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ILE HN 84 THR HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=1276,1295, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 69 SER HN 71 LEU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=1047,1075, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 71 LEU HN 72 ASN HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1075,1098, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 70 HIS HB3 71 LEU HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=1063,1075, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 70 HIS HB2 71 LEU HN 4.99
&rst
ixpk= 0, nxpk= 0, iat=1062,1075, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 56 VAL HB 57 GLN HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 868, 880, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 42 GLN HN 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 47 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 690, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HN 42 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 VAL HN 59 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 595, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 PHE HB2 34 LEU HN 5.80
&rst
ixpk= 0, nxpk= 0, iat= 458, 493, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 13 ASN HD21 85 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1322,1323,1324,
&end
#
# 13 ASN HD21 16 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 213,
&end
#
# 12 GLY QA 13 ASN HD21 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 152, 153,
&end
#
# 13 ASN HN 13 ASN HD21 4.80
&rst
ixpk= 0, nxpk= 0, iat= 157, 166, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 ASN HD21 14 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 166, 171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HD21 79 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1210,1211,
&end
#
# 20 ASN HD22 79 LYS+ QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1210,1211,
&end
#
# 20 ASN HD22 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 22 ASN HD21 25 ARG+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 346, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HD22 25 ARG+ HB3 4.97
&rst
ixpk= 0, nxpk= 0, iat= 306, 344, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 22 ASN HD22 25 ARG+ HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= 306, 341, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 29 GLN HB2 29 GLN HE21 5.49
&rst
ixpk= 0, nxpk= 0, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 29 GLN HB3 29 GLN HE21 4.62
&rst
ixpk= 0, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 29 GLN HA 29 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HB2 29 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 411, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HB3 29 GLN HE22 4.63
&rst
ixpk= 0, nxpk= 0, iat= 412, 420, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 29 GLN HA 29 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= 409, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HE21 57 GLN HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 623, 885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 42 GLN HB3 42 GLN HE21 5.00
&rst
ixpk= 0, nxpk= 0, iat= 616, 623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL HN 42 GLN HE21 4.60
&rst
ixpk= 0, nxpk= 0, iat= 182, 623, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 42 GLN HA 42 GLN HE22 5.06
&rst
ixpk= 0, nxpk= 0, iat= 613, 624, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 42 GLN HE22 57 GLN HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= 624, 885, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 42 GLN HB3 42 GLN HE22 4.77
&rst
ixpk= 0, nxpk= 0, iat= 616, 624, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 52 GLU- HB3 53 ASN QD2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 830, 831,
&end
#
# 53 ASN HA 53 ASN QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 830, 831,
&end
#
# 53 ASN HN 53 ASN QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 830, 831,
&end
#
# 57 GLN HB2 57 GLN HE21 5.37
&rst
ixpk= 0, nxpk= 0, iat= 884, 892, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 59 ALA QB 63 GLN HE21 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 918, 919, 920,
&end
#
# 59 ALA QB 63 GLN HE22 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 918, 919, 920,
&end
#
# 72 ASN HD21 83 ILE HB 5.09
&rst
ixpk= 0, nxpk= 0, iat=1103,1280, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 72 ASN HD21 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1103,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN HB2 90 ASN HD21 3.92
&rst
ixpk= 0, nxpk= 0, iat=1399,1404, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 90 ASN HD21 91 VAL HN 5.44
&rst
ixpk= 0, nxpk= 0, iat=1404,1409, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 90 ASN HD21 92 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1404,1427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 ASN HD22 91 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1415,1416,1417,
&end
#
# 90 ASN HA 90 ASN HD22 5.35
&rst
ixpk= 0, nxpk= 0, iat=1397,1405, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 90 ASN HD22 91 VAL HN 5.38
&rst
ixpk= 0, nxpk= 0, iat=1405,1409, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 90 ASN HD22 92 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1405,1425, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 GLN QB 101 GLN HE21 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1569,1570,
&end
#
# 101 GLN HA 101 GLN HE22 4.53
&rst
ixpk= 0, nxpk= 0, iat=1567,1578, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 65 GLN QG 65 GLN HE22 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 991, 992,
&end
#
# 65 GLN HA 65 GLN HE22 4.66
&rst
ixpk= 0, nxpk= 0, iat= 986, 997, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 109 ASN HB2 109 ASN HD21 3.98
&rst
ixpk= 0, nxpk= 0, iat=1688,1693, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 108 GLY QA 109 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1679,1680,
&end
#
# 125 ASN HN 125 ASN HD21 5.22
&rst
ixpk= 0, nxpk= 0, iat=1952,1961, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 137 ASN HA 137 ASN HD21 4.85
&rst
ixpk= 0, nxpk= 0, iat=2136,2143, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 137 ASN HD21 198 HIS HN 4.75
&rst
ixpk= 0, nxpk= 0, iat=2143,3078, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 137 ASN HD21 197 HIS HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=2143,3063, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 137 ASN HD21 197 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2143,3065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 ASN HD22 198 HIS HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2144,3082, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 154 ASN HD21 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 154 ASN HD21 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2936,2937,2938,
&end
#
# 154 ASN HD21 184 ALA HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=2402,2869, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 154 ASN HD21 187 ASP- HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=2402,2917, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 154 ASN HB3 154 ASN HD22 3.93
&rst
ixpk= 0, nxpk= 0, iat=2398,2403, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 154 ASN HA 154 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=2395,2403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 165 GLN QB 165 GLN HE22 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2577, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=2568,2569,
&end
#
# 165 GLN QB 165 GLN HE21 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2576, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2568,2569,
&end
#
# 174 GLN HB2 174 GLN HE21 4.42
&rst
ixpk= 0, nxpk= 0, iat=2730,2738, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 174 GLN HE21 208 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2738, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3256,3257,3258,
&end
#
# 174 GLN HA 174 GLN HE21 5.31
&rst
ixpk= 0, nxpk= 0, iat=2728,2738, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 183 GLN HB2 183 GLN HE21 5.12
&rst
ixpk= 0, nxpk= 0, iat=2854,2862, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 183 GLN HB2 183 GLN HE22 5.11
&rst
ixpk= 0, nxpk= 0, iat=2854,2863, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 182 VAL QG2 183 GLN HE22 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2863, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2844,2845,2846,
&end
#
# 190 ASN HA 190 ASN HD21 5.43
&rst
ixpk= 0, nxpk= 0, iat=2965,2972, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 190 ASN HA 190 ASN HD22 5.22
&rst
ixpk= 0, nxpk= 0, iat=2965,2973, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 196 ASN HN 196 ASN HD21 5.42
&rst
ixpk= 0, nxpk= 0, iat=3047,3056, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 195 GLU- HA 196 ASN HD22 5.28
&rst
ixpk= 0, nxpk= 0, iat=3034,3057, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 196 ASN HA 196 ASN HD22 4.66
&rst
ixpk= 0, nxpk= 0, iat=3049,3057, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 195 GLU- HB3 196 ASN HD22 5.09
&rst
ixpk= 0, nxpk= 0, iat=3037,3057, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 196 ASN HN 196 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=3047,3057, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 157 VAL HN 175 MET QE 3.68
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2754,2755,2756,
&end
#
# 174 GLN HN 174 GLN HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat=2726,2731, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 95 ARG+ HN 95 ARG+ HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1475,1480, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 LEU HN 84 THR HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 217,1295, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 35 PHE HA 38 TYR HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 514, 555, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 58 MET HB2 59 ALA HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 901, 914, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 16 LEU QD1 64 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 207, 208, 209,
&end
#
# 16 LEU QD1 68 MET HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 207, 208, 209,
&end
#
# 15 VAL QG1 86 SER HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 188, 189, 190,
&end
#
# 71 LEU HN 74 HIS HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1075,1119, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 97 GLY HN 98 GLN HN 3.87
&rst
ixpk= 0, nxpk= 0, iat=1514,1521, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 46 ILE HN 103 LEU HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 690,1589, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 146 ASP- HN 149 VAL QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=2263, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2326,2327,2328,
&end
#
# 161 PHE HN 208 ILE HG12 4.94
&rst
ixpk= 0, nxpk= 0, iat=2482,3253, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 167 ASP- HB3 169 LYS+ HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=2608,2639, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 135 LEU HN 171 ALA HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=2104,2678, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 135 LEU QD2 173 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2117,2118,2119,
&end
#
# 176 GLY HN 180 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2760,2809, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 176 GLY HN 180 GLU- HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat=2760,2814, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 157 VAL QG1 176 GLY HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2427,2428,2429,
&end
#
# 181 ALA HN 183 GLN HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=2824,2850, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 193 LEU HN 199 LEU HN 4.54
&rst
ixpk= 0, nxpk= 0, iat=3006,3095, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 133 LEU HB2 202 SER HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=2072,3154, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 203 PHE HN 204 SER HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=3165,3185, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 133 LEU HN 204 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,3185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 THR HB 204 SER HN 4.46
&rst
ixpk= 0, nxpk= 0, iat=2058,3185, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 133 LEU HB2 204 SER HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=2072,3185, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 172 LEU QD2 207 THR HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,3229, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2701,2702,2703,
&end
#
# 68 MET HA 71 LEU HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=1032,1075, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 52 GLU- HB2 53 ASN HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 810, 821, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 12 GLY HN 85 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 150, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1322,1323,1324,
&end
#
# 13 ASN HN 85 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1322,1323,1324,
&end
#
# 13 ASN HD22 14 SER HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 14 SER HN 85 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1322,1323,1324,
&end
#
# 16 LEU HN 56 VAL HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 198, 866, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 16 LEU HN 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 16 LEU HN 56 VAL HB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 198, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 LEU HN 57 GLN HG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 198, 887, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 20 ASN HN 53 ASN HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 263, 823, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 18 VAL QG1 21 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 242, 243, 244,
&end
#
# 21 LEU HN 52 GLU- HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= 277, 811, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 31 LEU HN 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 32 PHE HN 44 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 658, 659, 660,
&end
#
# 32 PHE HN 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 31 LEU HA 34 LEU HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 437, 493, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 36 GLY HN 41 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 601, 602, 603,
&end
#
# 37 VAL HN 38 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 VAL HN 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1024,1025,1026,
&end
#
# 34 LEU QD1 37 VAL HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 502, 503, 504,
&end
#
# 38 TYR HN 71 LEU QD2 5.45
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1088,1089,1090,
&end
#
# 41 VAL HA 43 ARG+ HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 597, 628, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 43 ARG+ HN 57 GLN HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 628, 884, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 44 VAL HN 57 GLN HG3 5.32
# &rst
# ixpk= 0, nxpk= 0, iat= 652, 888, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 45 LYS+ HN 56 VAL HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 668, 866, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 49 ASN HN 103 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1598,1599,1600,
&end
#
# 15 VAL HA 57 GLN HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 184, 880, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 16 LEU HG 58 MET HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 205, 897, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 15 VAL QG2 58 MET HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 192, 193, 194,
&end
#
# 60 ASP- HN 64 ALA HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 924, 974, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 14 SER HB3 60 ASP- HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 176, 924, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 ASP- HN 63 GLN HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 924, 965, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 14 SER HA 61 GLY HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 173, 936, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 62 ASN HN 62 ASN HD22 5.18
&rst
ixpk= 0, nxpk= 0, iat= 943, 953, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 62 ASN HN 64 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 978, 979, 980,
&end
#
# 62 ASN HD21 63 GLN HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 952, 957, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 63 GLN HN 64 ALA HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 957, 976, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 63 GLN HG3 64 ALA HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 965, 974, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 63 GLN HN 65 GLN HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 957, 984, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 62 ASN HA 65 GLN HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 945, 984, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 65 GLN HN 66 LEU HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 984,1005, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 62 ASN HA 66 LEU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 945,1001, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 65 GLN QB 66 LEU HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 988, 989,
&end
#
# 67 ALA HN 69 SER QB 4.72
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1051,1052,
&end
#
# 67 ALA HN 70 HIS HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1020,1058, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 66 LEU HB3 67 ALA HN 3.97
&rst
ixpk= 0, nxpk= 0, iat=1006,1020, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 38 TYR QE 70 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 565, 570,
&end
#
# 68 MET HA 72 ASN HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1032,1094, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 73 GLY HN 74 HIS HA 4.94
&rst
ixpk= 0, nxpk= 0, iat=1108,1117, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 79 LYS+ QE 81 ILE HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1210,1211,
&end
#
# 68 MET HA 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1032,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HB3 83 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 268,1276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASN HD22 84 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1104,1295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HB2 84 THR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 221,1295, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 15 VAL QG1 88 HIS HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 188, 189, 190,
&end
#
# 15 VAL HB 88 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 186,1361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 151 PHE QB 158 VAL HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2437, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2355,2356,
&end
#
# 96 GLU- HN 97 GLY HA2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1499,1517, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 182 VAL HN 185 LEU HN 5.24
&rst
ixpk= 0, nxpk= 0, iat=2834,2877, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 100 ASP- HA 102 GLY HN 4.76
&rst
ixpk= 0, nxpk= 0, iat=1555,1582, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 45 LYS+ HB2 104 THR HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 672,1608, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 46 ILE HB 104 THR HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 694,1608, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 44 VAL HB 105 LYS+ HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 656,1622, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 43 ARG+ HA 106 ASP- HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 630,1644, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 106 ASP- HB2 108 GLY HN 4.96
&rst
ixpk= 0, nxpk= 0, iat=1648,1677, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 43 ARG+ HA 108 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630,1677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 LEU HN 113 HIS HA 4.84
&rst
ixpk= 0, nxpk= 0, iat=1723,1744, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 112 LEU HN 113 HIS HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat=1723,1746, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 113 HIS HN 115 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1742,1783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 SER HB3 113 HIS HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=1703,1742, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 145 GLU- QB 146 ASP- HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=2252,2253,
&end
#
# 130 SER HN 203 PHE HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=2033,3167, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 130 SER HN 181 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2828,2829,2830,
&end
#
# 130 SER HN 178 VAL QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2784,2785,2786,
&end
#
# 132 THR HN 181 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2828,2829,2830,
&end
#
# 160 GLY HN 174 GLN HA 5.31
&rst
ixpk= 0, nxpk= 0, iat=2475,2728, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 160 GLY HN 174 GLN HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat=2475,2730, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 160 GLY HN 208 ILE QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=3249,3250,3251,
&end
#
# 136 SER HN 200 ARG+ HN 4.48
&rst
ixpk= 0, nxpk= 0, iat=2123,3114, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 136 SER HN 199 LEU HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=2123,3097, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 136 SER HN 199 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=3104,3105,3106,
&end
#
# 136 SER HN 200 ARG+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2123, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=3124,3125,
&end
#
# 143 SER HN 147 LEU HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat=2222,2279, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 144 GLU- HA 148 LYS+ HN 5.07
&rst
ixpk= 0, nxpk= 0, iat=2235,2294, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 148 LYS+ HB3 149 VAL HN 3.68
&rst
ixpk= 0, nxpk= 0, iat=2299,2316, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 145 GLU- HG2 149 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2255,2316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 LEU QD1 151 PHE HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2284,2285,2286,
&end
#
# 152 SER HN 153 SER HA 4.47
&rst
ixpk= 0, nxpk= 0, iat=2371,2384, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 150 LEU QD2 153 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2345,2346,2347,
&end
#
# 155 GLY HN 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 153 SER HN 156 GLY HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2382,2414, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 157 VAL HN 158 VAL HB 4.95
&rst
ixpk= 0, nxpk= 0, iat=2421,2441, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 151 PHE QB 157 VAL HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2421, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2355,2356,
&end
#
# 152 SER HA 157 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2373,2421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 152 SER HA 158 VAL HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=2373,2437, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 160 GLY HA2 161 PHE HN 3.42
&rst
ixpk= 0, nxpk= 0, iat=2478,2482, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 162 LYS+ HN 173 ILE HA 4.02
&rst
ixpk= 0, nxpk= 0, iat=2502,2709, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 162 LYS+ HN 208 ILE QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=3249,3250,3251,
&end
#
# 15 VAL HN 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 978, 979, 980,
&end
#
# 163 PHE QD 169 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2532,2540,
&end
#
# 167 ASP- HB3 170 MET HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=2608,2661, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 136 SER HB2 171 ALA HN 5.47
&rst
ixpk= 0, nxpk= 0, iat=2127,2678, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 161 PHE QD 173 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2490,2498,
&end
#
# 162 LYS+ HN 174 GLN HN 5.36
&rst
ixpk= 0, nxpk= 0, iat=2502,2726, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 161 PHE QD 174 GLN HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2490,2498,
&end
#
# 161 PHE QB 174 GLN HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2486,2487,
&end
#
# 174 GLN HN 208 ILE QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=3249,3250,3251,
&end
#
# 175 MET HN 181 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat=2743, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2828,2829,2830,
&end
#
# 157 VAL QG2 176 GLY HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2431,2432,2433,
&end
#
# 131 ALA QB 176 GLY HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2048,2049,2050,
&end
#
# 177 SER HN 180 GLU- HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=2767,2809, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 131 ALA QB 177 SER HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 181 ALA HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2048,2049,2050,
&end
#
# 133 LEU QD1 181 ALA HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2077,2078,2079,
&end
#
# 179 GLU- HA 182 VAL HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=2796,2834, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 182 VAL HN 185 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2834,2882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 183 GLN HN 186 ILE QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=2850, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2902,2903,2904,
&end
#
# 184 ALA HN 185 LEU HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=2867,2879, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 183 GLN HB2 184 ALA HN 3.63
&rst
ixpk= 0, nxpk= 0, iat=2854,2867, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 184 ALA QB 186 ILE HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=2871,2872,2873,
&end
#
# 182 VAL QG2 186 ILE HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2844,2845,2846,
&end
#
# 183 GLN HE22 187 ASP- HN 5.37
&rst
ixpk= 0, nxpk= 0, iat=2863,2915, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 183 GLN HA 187 ASP- HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=2852,2915, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 187 ASP- HN 188 LEU QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat=2915, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2936,2937,2938,
&end
#
# 189 HIS HN 191 HIS HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=2946,2977, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 191 HIS HN 199 LEU HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat=2977,3099, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 188 LEU QD1 191 HIS HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2977, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2936,2937,2938,
&end
#
# 150 LEU QD1 191 HIS HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2977, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2341,2342,2343,
&end
#
# 194 GLY HN 198 HIS HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=3025,3078, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 194 GLY HN 195 GLU- QG 4.62
&rst
ixpk= 0, nxpk= 0, iat=3025, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=3039,3040,
&end
#
# 193 LEU HB2 194 GLY HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=3010,3025, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 192 ASP- HA 198 HIS HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=2996,3078, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 190 ASN HA 199 LEU HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=2965,3095, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 193 LEU HB2 199 LEU HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=3010,3095, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 134 HIS HN 204 SER HN 5.03
&rst
ixpk= 0, nxpk= 0, iat=2087,3185, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 172 LEU QD1 205 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3196, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2697,2698,2699,
&end
#
# 205 LYS+ HB3 206 SER HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=3201,3218, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 172 LEU QD1 206 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3218, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2697,2698,2699,
&end
#
# 172 LEU QD1 207 THR HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,3229, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2697,2698,2699,
&end
#
# 85 LEU HN 85 LEU HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat=1309,1313, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 93 LEU HN 93 LEU HB2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1442,1446, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 180 GLU- HN 180 GLU- HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat=2809,2814, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 183 GLN HN 183 GLN HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2850,2854, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 193 LEU QD1 198 HIS HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,3078, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=3015,3016,3017,
&end
#
# 190 ASN HN 200 ARG+ HA 5.06
&rst
ixpk= 0, nxpk= 0, iat=2963,3116, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 190 ASN HN 199 LEU HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat=2963,3100, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 190 ASN HN 201 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat=2963, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=3144,3145,3146,
&end
#
# 190 ASN HN 201 VAL HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=2963,3138, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 190 ASN HN 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2963,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 142 VAL HN 142 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2216,2217,2218,
&end
#
# 133 LEU HN 172 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2697,2698,2699,
&end
#
# 44 VAL HN 105 LYS+ HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 652,1622, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 195 GLU- QG 197 HIS HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,3061, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=3039,3040,
&end
#
# 95 ARG+ HN 98 GLN HG3 3.48
&rst
ixpk= 0, nxpk= 0, iat=1475,1529, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 38 TYR QE 71 LEU HN 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 565, 570,
&end
#
# 60 ASP- HN 63 GLN HG2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 924, 964, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 57 GLN HN 58 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ QB 57 GLN HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 632, 633,
&end
#
# 44 VAL QG1 57 GLN HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 658, 659, 660,
&end
#
# 45 LYS+ HN 57 GLN HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 668, 880, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 34 LEU HN 35 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 493, 516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 154 ASN HB2 154 ASN HD21 3.86
&rst
ixpk= 0, nxpk= 0, iat=2397,2402, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 196 ASN HB2 196 ASN HD22 4.00
&rst
ixpk= 0, nxpk= 0, iat=3051,3057, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 ASN HD21 87 LYS+ HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 166,1344, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 13 ASN HD21 85 LEU HB3 5.21
&rst
ixpk= 0, nxpk= 0, iat= 166,1314, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 20 ASN HD21 79 LYS+ HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 272,1202, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 20 ASN HD21 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 52 GLU- HB2 53 ASN QD2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2= 830, 831,
&end
#
# 43 ARG+ QB 57 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 632, 633,
&end
#
# 15 VAL QG2 57 GLN HE21 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 192, 193, 194,
&end
#
# 72 ASN HD22 84 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1301,1302,1303,
&end
#
# 90 ASN HD21 92 GLN QG 4.84
&rst
ixpk= 0, nxpk= 0, iat=1404, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1432,1433,
&end
#
# 90 ASN HA 90 ASN HD21 5.31
&rst
ixpk= 0, nxpk= 0, iat=1397,1404, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 154 ASN HB3 154 ASN HD21 3.74
&rst
ixpk= 0, nxpk= 0, iat=2398,2402, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 154 ASN HD22 184 ALA HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=2403,2869, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 165 GLN HE21 170 MET HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2576,2666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ QD 174 GLN HE21 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2463,2464,
&end
#
# 131 ALA QB 174 GLN HE21 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2738, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2048,2049,2050,
&end
#
# 172 LEU HN 172 LEU QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat=2688, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2697,2698,2699,
&end
#
# 192 ASP- HN 198 HIS HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=2994,3083, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 117 LYS+ HN 117 LYS+ HB2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1825,1829, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 197 HIS HN 197 HIS HD2 5.30
&rst
ixpk= 0, nxpk= 0, iat=3061,3074, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 VAL HN 27 THR HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 363, 379, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 29 GLN HA 32 PHE HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 409, 454, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 37 VAL HN 38 TYR HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= 539, 557, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 46 ILE HN 55 LEU HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 690, 845, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 112 LEU HN 113 HIS HD2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1723,1755, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 142 VAL QG1 146 ASP- HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2263, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2212,2213,2214,
&end
#
# 141 SER HN 142 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=2195, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2216,2217,2218,
&end
#
# 142 VAL QG1 143 SER HN 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2212,2213,2214,
&end
#
# 142 VAL QG1 144 GLU- HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2233, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2212,2213,2214,
&end
#
# 147 LEU HN 150 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=2275,2332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 PHE HN 175 MET QE 5.19
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2754,2755,2756,
&end
#
# 156 GLY HN 158 VAL QG1 4.85
&rst
ixpk= 0, nxpk= 0, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2443,2444,2445,
&end
#
# 157 VAL HB 176 GLY HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=2425,2760, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 157 VAL QG1 177 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2427,2428,2429,
&end
#
# 131 ALA HA 181 ALA HN 3.99
&rst
ixpk= 0, nxpk= 0, iat=2046,2824, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 179 GLU- HA 183 GLN HN 4.46
&rst
ixpk= 0, nxpk= 0, iat=2796,2850, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 197 HIS HN 198 HIS HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=3061,3078, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 189 HIS HB2 201 VAL HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=2950,3138, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 62 ASN HA 62 ASN HD21 4.30
&rst
ixpk= 0, nxpk= 0, iat= 945, 952, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 50 LYS+ HN 51 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 762, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLN HE21 32 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 464, 468,
&end
#
# 101 GLN QB 101 GLN HE22 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1569,1570,
&end
#
# 135 LEU HN 135 LEU QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2113,2114,2115,
&end
#
# 162 LYS+ HN 162 LYS+ HG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2502,2509, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 123 PHE HN 123 PHE HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1915,1919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 GLN HN 92 GLN HB3 3.57
&rst
ixpk= 0, nxpk= 0, iat=1425,1430, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 75 LYS+ HA 76 LEU HN 3.62
&rst
ixpk= 0, nxpk= 0, iat=1134,1154, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 47 LEU HG 54 ALA HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 716, 835, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 46 ILE HN 104 THR HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 690,1608, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 147 LEU HB3 148 LYS+ HN 3.65
&rst
ixpk= 0, nxpk= 0, iat=2280,2294, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 159 LYS+ HN 174 GLN HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=2453,2726, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 133 LEU HN 175 MET HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=2068,2743, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 175 MET HB3 176 GLY HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=2748,2760, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 200 ARG+ HN 201 VAL HN 5.22
&rst
ixpk= 0, nxpk= 0, iat=3114,3138, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 16 LEU HN 58 MET HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 198, 897, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 21 LEU QD2 27 THR HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 290, 291, 292,
&end
#
# 34 LEU QD2 35 PHE HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 506, 507, 508,
&end
#
# 34 LEU HN 36 GLY HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 493, 532, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 34 LEU QD1 38 TYR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 502, 503, 504,
&end
#
# 70 HIS HN 71 LEU HB3 4.65
# &rst
# ixpk= 0, nxpk= 0, iat=1058,1080, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 69 SER HN 72 ASN HN 5.46
&rst
ixpk= 0, nxpk= 0, iat=1047,1094, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 75 LYS+ HA 79 LYS+ HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1134,1197, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 171 ALA HN 172 LEU QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat=2678, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2697,2698,2699,
&end
#
# 173 ILE HN 174 GLN HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=2707,2728, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 175 MET HN 177 SER HN 5.46
&rst
ixpk= 0, nxpk= 0, iat=2743,2767, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 157 VAL QG2 177 SER HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2431,2432,2433,
&end
#
# 175 MET HB3 181 ALA HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=2748,2824, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 186 ILE HN 187 ASP- HA 5.08
&rst
ixpk= 0, nxpk= 0, iat=2896,2917, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 20 ASN HD21 79 LYS+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 GLN HE21 91 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1415,1416,1417,
&end
#
# 34 LEU HN 34 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 506, 507, 508,
&end
#
# 142 VAL QG1 147 LEU HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2275, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2212,2213,2214,
&end
#
# 82 ARG+ HN 82 ARG+ HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1252,1259, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 142 VAL HA 143 SER HN 3.44
&rst
ixpk= 0, nxpk= 0, iat=2208,2222, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 42 GLN HN 42 GLN HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat= 611, 619, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 29 GLN HB3 30 SER HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 412, 424, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 43 ARG+ HN 56 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 870, 871, 872,
&end
#
# 45 LYS+ HN 46 ILE HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 668, 690, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 45 LYS+ QE 46 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 681, 682,
&end
#
# 58 MET HN 60 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 897, 924, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 MET HA 60 ASP- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 899, 924, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 64 ALA HA 68 MET HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 976,1030, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 153 SER HN 154 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=2382,2403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 HIS HB3 72 ASN HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1063,1094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 GLN HN 100 ASP- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1521,1553, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 110 SER HB3 112 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1703,1723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 SER HN 203 PHE QD 4.15
&rst
ixpk= 0, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=3173,3181,
&end
#
# 159 LYS+ HN 174 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453,2733, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 HIS HD2 136 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2100,2123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HB3 145 GLU- HN 3.58
&rst
ixpk= 0, nxpk= 0, iat=2238,2248, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 163 PHE HN 164 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2552,2560,
&end
#
# 163 PHE QD 172 LEU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2688, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2532,2540,
&end
#
# 135 LEU HB2 172 LEU HN 5.42
&rst
ixpk= 0, nxpk= 0, iat=2108,2688, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 159 LYS+ HB3 174 GLN HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=2458,2726, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 163 PHE HN 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 175 MET HB3 177 SER HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=2748,2767, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 175 MET QG 181 ALA HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2750,2751,
&end
#
# 195 GLU- HA 197 HIS HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=3034,3061, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 116 LYS+ HN 117 LYS+ HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=1803,1825, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 115 PHE HN 117 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1783,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 PHE HB3 117 LYS+ HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=1788,1825, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 22 ASN HD21 78 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305,1193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HB2 42 GLN HE22 4.88
&rst
ixpk= 0, nxpk= 0, iat= 175, 624, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 14 SER HA 42 GLN HE22 4.49
&rst
ixpk= 0, nxpk= 0, iat= 173, 624, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 42 GLN HB3 57 GLN HE21 5.32
&rst
ixpk= 0, nxpk= 0, iat= 616, 892, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 154 ASN HD21 188 LEU HN 5.44
&rst
ixpk= 0, nxpk= 0, iat=2402,2927, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 14 SER HN 15 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 17 LEU HN 35 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 522, 526,
&end
#
# 21 LEU HN 52 GLU- HB2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 277, 810, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 24 GLU- HB2 25 ARG+ HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 328, 339, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 27 THR QG2 30 SER HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 385, 386, 387,
&end
#
# 32 PHE HN 107 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1666,1671,
&end
#
# 36 GLY HN 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 43 ARG+ HN 107 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1664,1673,
&end
#
# 41 VAL QG1 43 ARG+ HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 601, 602, 603,
&end
#
# 18 VAL HB 54 ALA HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 240, 835, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 18 VAL HB 55 LEU HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 240, 845, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 62 ASN HN 65 GLN QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 988, 989,
&end
#
# 68 MET HB3 69 SER HN 3.87
&rst
ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 79 LYS+ HG2 81 ILE HN 4.32
&rst
ixpk= 0, nxpk= 0, iat=1204,1233, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 19 SER HN 82 ARG+ HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 252,1252, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 20 ASN HD21 82 ARG+ HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 272,1252, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 19 SER HN 84 THR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 252,1295, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 189 HIS HE1 200 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2956,3114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ QE 92 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 681, 682,
&end
#
# 92 GLN HB2 93 LEU HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1429,1442, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 151 PHE QE 185 LEU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2877, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2361,2365,
&end
#
# 43 ARG+ QB 107 TYR HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 632, 633,
&end
#
# 134 HIS HD2 135 LEU HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=2100,2104, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 159 LYS+ HN 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 136 SER HN 201 VAL HA 4.77
&rst
ixpk= 0, nxpk= 0, iat=2123,3140, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 136 SER HN 200 ARG+ HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2123,3118, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 138 ILE QD1 142 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2206, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2161,2162,2163,
&end
#
# 143 SER HN 147 LEU HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2222,2275, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 144 GLU- HN 163 PHE QE 4.60
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2534,2538,
&end
#
# 144 GLU- HN 163 PHE HZ 5.09
&rst
ixpk= 0, nxpk= 0, iat=2233,2536, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 144 GLU- HN 161 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2492,2496,
&end
#
# 145 GLU- HN 163 PHE QE 5.40
&rst
ixpk= 0, nxpk= 0, iat=2248, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2534,2538,
&end
#
# 145 GLU- HN 163 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=2248,2536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 GLU- HN 161 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2492,2496,
&end
#
# 147 LEU HN 161 PHE QE 5.31
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=2492,2496,
&end
#
# 152 SER HN 175 MET QE 5.13
&rst
ixpk= 0, nxpk= 0, iat=2371, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2754,2755,2756,
&end
#
# 152 SER HN 158 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat=2371, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2443,2444,2445,
&end
#
# 152 SER HN 188 LEU QD2 5.30
&rst
ixpk= 0, nxpk= 0, iat=2371, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2940,2941,2942,
&end
#
# 153 SER HN 188 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2382, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2940,2941,2942,
&end
#
# 154 ASN HN 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2393, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 158 VAL HN 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 161 PHE HN 162 LYS+ QB 5.26
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2506,2507,
&end
#
# 161 PHE QE 162 LYS+ HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2492,2496,
&end
#
# 161 PHE QE 163 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2492,2496,
&end
#
# 164 PHE HN 172 LEU HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=2544,2693, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 164 PHE HB3 169 LYS+ HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=2549,2639, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 163 PHE QD 170 MET HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=2532,2540,
&end
#
# 138 ILE QG2 170 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2154,2155,2156,
&end
#
# 163 PHE QD 171 ALA HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2678, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2532,2540,
&end
#
# 164 PHE HN 172 LEU HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=2544,2688, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 173 ILE HG13 174 GLN HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=2718,2726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 132 THR QG2 175 MET HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2743, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2060,2061,2062,
&end
#
# 194 GLY HN 198 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3091, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HA2 196 ASN HN 4.61
&rst
ixpk= 0, nxpk= 0, iat=3028,3047, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 198 HIS HD2 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3091,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 189 HIS HE1 201 VAL HN 5.46
&rst
ixpk= 0, nxpk= 0, iat=2956,3138, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 99 GLU- HN 99 GLU- HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat=1538,1543, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 166 LYS+ HB3 168 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2586,2615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ QD 91 VAL HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 638, 639,
&end
#
# 45 LYS+ QE 91 VAL HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 681, 682,
&end
#
# 95 ARG+ HN 99 GLU- HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1475,1542, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 41 VAL HA 57 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU HN 50 LYS+ HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 709, 767, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 13 ASN HD21 14 SER HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= 166, 173, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 20 ASN HD21 79 LYS+ HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 272,1201, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 20 ASN HD21 82 ARG+ HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LYS+ HA 174 GLN HE21 5.44
&rst
ixpk= 0, nxpk= 0, iat=2455,2738, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 48 PHE QD 103 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1589, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 736, 744,
&end
#
# 74 HIS HN 74 HIS HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1115,1128, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 191 HIS HN 191 HIS HD2 5.04
&rst
ixpk= 0, nxpk= 0, iat=2977,2990, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 152 SER HN 152 SER HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=2371,2376, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 98 GLN HN 98 GLN HG2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1521,1528, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 189 HIS HN 189 HIS HD2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2946,2959, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 157 VAL QG2 158 VAL HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2437, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=2431,2432,2433,
&end
#
# 113 HIS HN 113 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1742,1755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HN 93 LEU HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1442,1447, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 82 ARG+ HN 82 ARG+ HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1252,1260, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 11 ALA HA 12 GLY HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 142, 150, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 13 ASN HN 14 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 157, 176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU QD1 22 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 296, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 286, 287, 288,
&end
#
# 42 GLN HG3 43 ARG+ HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 619, 628, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 47 LEU HG 52 GLU- HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 716, 806, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 65 GLN HE22 66 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 LEU QD2 69 SER HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1014,1015,1016,
&end
#
# 72 ASN HD22 73 GLY HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=1104,1108, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 75 LYS+ HB3 76 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1137,1154, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 76 LEU HN 81 ILE HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1154,1233, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 73 GLY HN 83 ILE HN 5.29
&rst
ixpk= 0, nxpk= 0, iat=1108,1276, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 95 ARG+ QG 96 GLU- HN 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1=1482,1483,
&end
#
# 137 ASN HD21 138 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2143,2148, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 LYS+ HN 151 PHE HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=2294,2351, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 150 LEU HN 151 PHE QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2355,2356,
&end
#
# 169 LYS+ HN 170 MET HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat=2639,2668, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 194 GLY HN 199 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 194 GLY HN 197 HIS HB3 5.11
&rst
ixpk= 0, nxpk= 0, iat=3025,3066, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 194 GLY HN 197 HIS HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat=3025,3065, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 90 ASN HD22 92 GLN HA 5.25
&rst
ixpk= 0, nxpk= 0, iat=1405,1427, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 101 GLN HA 101 GLN HE21 4.49
&rst
ixpk= 0, nxpk= 0, iat=1567,1577, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 190 ASN HN 190 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=2963,2973, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU QD2 54 ALA HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 722, 723, 724,
&end
#
# 93 LEU QD1 107 TYR HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1451,1452,1453,
&end
#
# 133 LEU HN 175 MET HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat=2068,2747, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 18 VAL HN 54 ALA HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 236, 835, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 18 VAL HN 55 LEU HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 236, 849, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 17 LEU HA 19 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 219, 252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 THR HN 31 LEU HG 5.43
&rst
ixpk= 0, nxpk= 0, iat= 379, 442, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 34 LEU HN 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 35 PHE HN 56 VAL QG1 5.46
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 870, 871, 872,
&end
#
# 35 PHE HN 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 46 ILE HN 103 LEU HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 690,1591, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 47 LEU QD2 53 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 722, 723, 724,
&end
#
# 16 LEU QD1 58 MET HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 207, 208, 209,
&end
#
# 16 LEU HB2 58 MET HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 202, 897, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 81 ILE HB 83 ILE HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=1237,1276, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 17 LEU HB3 86 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 222,1328, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 93 LEU QD1 105 LYS+ HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1451,1452,1453,
&end
#
# 93 LEU QD1 106 ASP- HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1451,1452,1453,
&end
#
# 146 ASP- HN 147 LEU HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2263,2279, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 123 PHE HA 126 ILE HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=1917,1966, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 133 LEU HN 174 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2068,2734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 160 GLY HN 174 GLN HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2475,2733, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 159 LYS+ QG 160 GLY HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2475, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=2460,2461,
&end
#
# 163 PHE HN 163 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2524, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2534,2538,
&end
#
# 132 THR HN 175 MET HN 5.33
&rst
ixpk= 0, nxpk= 0, iat=2054,2743, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 194 GLY HN 196 ASN HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=3025,3049, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 194 GLY HN 198 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=3025,3083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 196 ASN HA 198 HIS HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=3049,3078, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 127 PHE QD 205 LYS+ HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,3196, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1993,2001,
&end
#
# 20 ASN HD21 79 LYS+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 272,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ASN HD22 79 LYS+ HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 273,1201, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 20 ASN HD22 79 LYS+ HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 273,1202, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 98 GLN HN 98 GLN HG3 3.63
&rst
ixpk= 0, nxpk= 0, iat=1521,1529, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 30 SER HA 33 ILE HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 426, 474, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 35 PHE HA 39 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 LEU QD1 52 GLU- HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 718, 719, 720,
&end
#
# 17 LEU QD1 54 ALA HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 226, 227, 228,
&end
#
# 60 ASP- HN 63 GLN HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 924, 959, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 61 GLY HN 62 ASN HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 936, 943, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 71 LEU HB2 73 GLY HN 4.50
# &rst
# ixpk= 0, nxpk= 0, iat=1079,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 GLY HA2 81 ILE HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=1111,1233, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 146 ASP- QB 150 LEU HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2267,2268,
&end
#
# 176 GLY HN 177 SER HA 4.98
&rst
ixpk= 0, nxpk= 0, iat=2760,2769, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 148 LYS+ HN 151 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2359,2367,
&end
#
# 116 LYS+ HN 117 LYS+ QG 4.71
&rst
ixpk= 0, nxpk= 0, iat=1803, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1832,1833,
&end
#
# 22 ASN HD21 78 GLY HA1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305,1192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HD22 79 LYS+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306,1201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 52 GLU- HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 277, 808, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 27 THR HN 77 HIS HE1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 379,1183, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 34 LEU HN 37 VAL HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 493, 539, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 39 GLY HN 115 PHE QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1793,1797,
&end
#
# 21 LEU QB 52 GLU- HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 281, 282,
&end
#
# 16 LEU HG 64 ALA HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 205, 974, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 76 LEU HN 78 GLY HA2 5.70
&rst
ixpk= 0, nxpk= 0, iat=1154,1193, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 125 ASN HN 125 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1952,1962, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 146 ASP- HN 149 VAL HB 4.41
&rst
ixpk= 0, nxpk= 0, iat=2263,2320, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 130 SER HN 178 VAL QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat=2033, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2788,2789,2790,
&end
#
# 144 GLU- HN 163 PHE QD 5.30
&rst
ixpk= 0, nxpk= 0, iat=2233, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2532,2540,
&end
#
# 150 LEU HB2 152 SER HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2336,2371, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 150 LEU HB3 153 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2337,2382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 161 PHE HN 162 LYS+ HG3 5.07
&rst
ixpk= 0, nxpk= 0, iat=2482,2510, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 161 PHE QD 163 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2490,2498,
&end
#
# 164 PHE HB3 168 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2549,2615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 ILE QG2 171 ALA HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2678, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2154,2155,2156,
&end
#
# 176 GLY HN 181 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2760,2826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 175 MET QG 177 SER HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=2750,2751,
&end
#
# 175 MET HB3 182 VAL HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=2748,2834, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 185 LEU HB2 188 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2881,2927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 188 LEU HN 201 VAL HB 5.47
&rst
ixpk= 0, nxpk= 0, iat=2927,3142, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 193 LEU HN 194 GLY HA2 5.05
&rst
ixpk= 0, nxpk= 0, iat=3006,3028, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 193 LEU HN 199 LEU HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat=3006,3100, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 193 LEU HN 197 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=3006,3065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 192 ASP- HA 194 GLY HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=2996,3025, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 195 GLU- HB2 197 HIS HN 4.46
&rst
ixpk= 0, nxpk= 0, iat=3036,3061, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 93 LEU HN 93 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1451,1452,1453,
&end
#
# 20 ASN HD22 81 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1246,1247,1248,
&end
#
# 20 ASN HD22 79 LYS+ HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 273,1199, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 15 VAL HN 42 GLN HE22 4.30
&rst
ixpk= 0, nxpk= 0, iat= 182, 624, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 42 GLN HE22 59 ALA HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 624, 914, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 21 LEU QB 53 ASN QD2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 281, 282,
igr2= 830, 831,
&end
#
# 17 LEU QD1 53 ASN QD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 226, 227, 228,
igr2= 830, 831,
&end
#
# 57 GLN HB3 90 ASN HD21 5.04
&rst
ixpk= 0, nxpk= 0, iat= 885,1404, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 151 PHE HN 154 ASN HD22 4.96
&rst
ixpk= 0, nxpk= 0, iat=2351,2403, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 165 GLN HE22 167 ASP- HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2577,2608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 VAL HN 15 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 182, 186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 VAL HN 15 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 188, 189, 190,
&end
#
# 15 VAL HN 15 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 192, 193, 194,
&end
#
# 16 LEU HN 16 LEU HG 3.96
&rst
ixpk= 0, nxpk= 0, iat= 198, 205, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 18 VAL HN 18 VAL QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 246, 247, 248,
&end
#
# 20 ASN HN 20 ASN HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 263, 268, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 LEU HN 21 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 286, 287, 288,
&end
#
# 21 LEU HN 21 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 290, 291, 292,
&end
#
# 24 GLU- HN 24 GLU- HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 324, 328, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 ARG+ HN 25 ARG+ HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 26 VAL HN 26 VAL HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 363, 367, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 26 VAL HN 26 VAL QG1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 369, 370, 371,
&end
#
# 26 VAL HN 26 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 373, 374, 375,
&end
#
# 27 THR HN 27 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 385, 386, 387,
&end
#
# 29 GLN HN 29 GLN HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 29 GLN HN 29 GLN HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 407, 414, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 29 GLN HN 29 GLN HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 407, 415, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 31 LEU HN 31 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 448, 449, 450,
&end
#
# 33 ILE HN 33 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 487, 488, 489,
&end
#
# 43 ARG+ HA 43 ARG+ QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 638, 639,
&end
#
# 45 LYS+ HN 45 LYS+ HD2 5.11
&rst
ixpk= 0, nxpk= 0, iat= 668, 678, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 45 LYS+ HN 45 LYS+ HD3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 668, 679, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 45 LYS+ HN 45 LYS+ QE 5.28
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 681, 682,
&end
#
# 47 LEU HN 47 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 722, 723, 724,
&end
#
# 48 PHE HN 48 PHE QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 732, 733,
&end
#
# 57 GLN HG2 58 MET HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 887, 897, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 59 ALA HN 59 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 918, 919, 920,
&end
#
# 60 ASP- HN 60 ASP- HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 924, 928, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 60 ASP- HN 60 ASP- HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 924, 929, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 64 ALA HN 64 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 978, 979, 980,
&end
#
# 65 GLN HN 65 GLN QG 3.34
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 991, 992,
&end
#
# 66 LEU HN 66 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1010,1011,1012,
&end
#
# 71 LEU HN 71 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1084,1085,1086,
&end
#
# 72 ASN HN 72 ASN HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 72 ASN HN 72 ASN HB3 3.54
&rst
ixpk= 0, nxpk= 0, iat=1094,1099, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 76 LEU HN 76 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1167,1168,1169,
&end
#
# 79 LYS+ HN 79 LYS+ QE 4.58
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1210,1211,
&end
#
# 79 LYS+ HN 79 LYS+ HG3 4.73
&rst
ixpk= 0, nxpk= 0, iat=1197,1205, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 81 ILE HN 81 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1246,1247,1248,
&end
#
# 81 ILE HN 81 ILE QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1239,1240,1241,
&end
#
# 82 ARG+ HN 82 ARG+ QD 4.61
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1262,1263,
&end
#
# 83 ILE HN 83 ILE QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1289,1290,1291,
&end
#
# 84 THR HN 84 THR QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1301,1302,1303,
&end
#
# 86 SER HN 86 SER HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 86 SER HN 86 SER HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 91 VAL HN 91 VAL HB 3.56
&rst
ixpk= 0, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 91 VAL HN 91 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1415,1416,1417,
&end
#
# 91 VAL HN 91 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1419,1420,1421,
&end
#
# 92 GLN HN 92 GLN HB2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1425,1429, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 91 VAL QG2 92 GLN HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1419,1420,1421,
&end
#
# 103 LEU HN 103 LEU QB 3.70
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1593,1594,
&end
#
# 103 LEU HN 103 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1598,1599,1600,
&end
#
# 103 LEU HN 103 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1602,1603,1604,
&end
#
# 104 THR HN 104 THR HB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1608,1612, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 104 THR HN 104 THR QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1608, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1614,1615,1616,
&end
#
# 105 LYS+ HN 105 LYS+ QD 4.17
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1632,1633,
&end
#
# 109 ASN HN 109 ASN HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1684,1689, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 112 LEU HN 112 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1732,1733,1734,
&end
#
# 116 LYS+ HN 116 LYS+ HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1803,1807, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 117 LYS+ HN 117 LYS+ HE2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1825,1838, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 117 LYS+ HN 117 LYS+ HE3 4.65
&rst
ixpk= 0, nxpk= 0, iat=1825,1839, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 126 ILE HN 126 ILE HB 3.55
&rst
ixpk= 0, nxpk= 0, iat=1966,1970, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 126 ILE HN 126 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1966, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1979,1980,1981,
&end
#
# 126 ILE HN 126 ILE HG13 4.11
&rst
ixpk= 0, nxpk= 0, iat=1966,1977, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 131 ALA HN 131 ALA QB 3.36
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=2048,2049,2050,
&end
#
# 135 LEU HN 135 LEU QD2 4.36
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2117,2118,2119,
&end
#
# 135 LEU HN 135 LEU HG 4.57
&rst
ixpk= 0, nxpk= 0, iat=2104,2111, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 138 ILE HN 138 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=2148, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2161,2162,2163,
&end
#
# 138 ILE HN 138 ILE QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat=2148, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2158,2159,
&end
#
# 138 ILE HN 138 ILE QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2148, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2154,2155,2156,
&end
#
# 141 SER HN 141 SER HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat=2195,2199, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 141 SER HN 141 SER HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=2195,2200, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 142 VAL HN 142 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat=2206, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2212,2213,2214,
&end
#
# 149 VAL HN 149 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=2316, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2326,2327,2328,
&end
#
# 154 ASN HN 154 ASN HB2 3.57
&rst
ixpk= 0, nxpk= 0, iat=2393,2397, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 154 ASN HN 154 ASN HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=2393,2398, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 157 VAL HN 157 VAL HB 3.63
&rst
ixpk= 0, nxpk= 0, iat=2421,2425, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 158 VAL HN 158 VAL HB 3.55
&rst
ixpk= 0, nxpk= 0, iat=2437,2441, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 158 VAL HN 158 VAL QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2443,2444,2445,
&end
#
# 159 LYS+ HN 159 LYS+ QD 4.44
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2463,2464,
&end
#
# 162 LYS+ QB 162 LYS+ HG2 2.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2509, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=2506,2507,
&end
#
# 162 LYS+ QB 162 LYS+ HG3 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2510, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr1=2506,2507,
&end
#
# 164 PHE HN 164 PHE HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat=2544,2549, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 165 GLN HN 165 GLN QB 3.58
&rst
ixpk= 0, nxpk= 0, iat=2564, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=2568,2569,
&end
#
# 165 GLN HN 165 GLN HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat=2564,2571, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 165 GLN HN 165 GLN HG3 4.21
&rst
ixpk= 0, nxpk= 0, iat=2564,2572, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 166 LYS+ HN 166 LYS+ HA 2.93
&rst
ixpk= 0, nxpk= 0, iat=2581,2583, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 166 LYS+ HN 166 LYS+ QG 4.81
&rst
ixpk= 0, nxpk= 0, iat=2581, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2588,2589,
&end
#
# 168 ARG+ HN 168 ARG+ HG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=2615,2622, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 168 ARG+ HN 168 ARG+ HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat=2615,2623, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 169 LYS+ HN 169 LYS+ QD 3.90
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2649,2650,
&end
#
# 170 MET HN 170 MET QE 4.13
&rst
ixpk= 0, nxpk= 0, iat=2661, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2672,2673,2674,
&end
#
# 170 MET HN 170 MET HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=2661,2668, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 170 MET HN 170 MET HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat=2661,2669, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 171 ALA HN 171 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat=2678, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2682,2683,2684,
&end
#
# 173 ILE HN 173 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2720,2721,2722,
&end
#
# 173 ILE HN 173 ILE HG13 4.54
&rst
ixpk= 0, nxpk= 0, iat=2707,2718, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 173 ILE HN 208 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=3256,3257,3258,
&end
#
# 174 GLN HA 174 GLN HG3 4.26
&rst
ixpk= 0, nxpk= 0, iat=2728,2734, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 178 VAL HN 178 VAL HB 3.86
&rst
ixpk= 0, nxpk= 0, iat=2778,2782, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 178 VAL HN 178 VAL QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat=2778, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2784,2785,2786,
&end
#
# 178 VAL HN 178 VAL QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat=2778, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=2788,2789,2790,
&end
#
# 179 GLU- HN 179 GLU- HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=2794,2799, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 179 GLU- HN 179 GLU- HG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2794,2801, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 183 GLN HN 183 GLN QG 3.81
&rst
ixpk= 0, nxpk= 0, iat=2850, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2857,2858,
&end
#
# 192 ASP- HN 192 ASP- HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=2994,2998, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 196 ASN HN 196 ASN HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat=3047,3052, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 200 ARG+ HN 200 ARG+ HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat=3114,3118, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 200 ARG+ HN 200 ARG+ QD 4.14
&rst
ixpk= 0, nxpk= 0, iat=3114, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=3124,3125,
&end
#
# 201 VAL HN 201 VAL QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat=3138, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=3144,3145,3146,
&end
#
# 201 VAL HN 201 VAL QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=3138, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=3148,3149,3150,
&end
#
# 202 SER HN 202 SER HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat=3154,3158, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 202 SER HN 202 SER HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat=3154,3159, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 203 PHE HN 203 PHE HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=3165,3169, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 204 SER HN 204 SER HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat=3185,3189, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 206 SER HN 206 SER HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=3218,3222, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 207 THR HN 207 THR HB 3.94
&rst
ixpk= 0, nxpk= 0, iat=3229,3233, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 208 ILE HN 208 ILE HB 3.24
&rst
ixpk= 0, nxpk= 0, iat=3243,3247, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 208 ILE HN 208 ILE HG12 3.76
&rst
ixpk= 0, nxpk= 0, iat=3243,3253, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 208 ILE HN 208 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat=3243, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=3249,3250,3251,
&end
#
# 20 ASN HN 20 ASN HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 263, 267, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 46 ILE QG2 47 LEU HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 696, 697, 698,
&end
#
# 85 LEU HA 86 SER HN 3.39
&rst
ixpk= 0, nxpk= 0, iat=1311,1328, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 85 LEU QD2 86 SER HN 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1322,1323,1324,
&end
#
# 92 GLN HA 93 LEU HN 2.94
&rst
ixpk= 0, nxpk= 0, iat=1427,1442, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 130 SER HB3 132 THR HN 4.14
&rst
ixpk= 0, nxpk= 0, iat=2038,2054, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 132 THR QG2 133 LEU HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2060,2061,2062,
&end
#
# 190 ASN HN 190 ASN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=2963,2968, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 ARG+ HB3 96 GLU- HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=1480,1499, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 188 LEU HN 188 LEU HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat=2927,2931, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 193 LEU HN 198 HIS HA 3.94
&rst
ixpk= 0, nxpk= 0, iat=3006,3080, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 12 GLY QA 13 ASN HD22 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 152, 153,
&end
#
# 11 ALA QB 12 GLY QA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 144, 145, 146,
igr2= 152, 153,
&end
#
# 11 ALA QB 13 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 144, 145, 146,
&end
#
# 11 ALA QB 13 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 144, 145, 146,
&end
#
# 13 ASN HA 13 ASN HD21 4.76
&rst
ixpk= 0, nxpk= 0, iat= 159, 166, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 13 ASN HA 14 SER HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 159, 171, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 13 ASN QB 14 SER HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 161, 162,
&end
#
# 13 ASN QB 13 ASN HD22 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 161, 162,
&end
#
# 12 GLY QA 13 ASN QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 152, 153,
igr2= 161, 162,
&end
#
# 14 SER HA 64 ALA HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 173, 974, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 14 SER HB2 15 VAL HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 175, 182, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 14 SER HB3 15 VAL HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 176, 182, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 14 SER HB3 61 GLY HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 176, 936, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 14 SER HB3 64 ALA QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 978, 979, 980,
&end
#
# 14 SER HB2 64 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 978, 979, 980,
&end
#
# 14 SER HB3 15 VAL QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 176, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 192, 193, 194,
&end
#
# 14 SER HB2 15 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 192, 193, 194,
&end
#
# 14 SER HB3 60 ASP- HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= 176, 926, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 15 VAL HA 58 MET HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 184, 897, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 15 VAL HA 57 GLN HA 4.42
&rst
ixpk= 0, nxpk= 0, iat= 184, 882, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 15 VAL HA 57 GLN HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 184, 887, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 15 VAL QG1 86 SER HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 188, 189, 190,
&end
#
# 15 VAL QG1 86 SER HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 188, 189, 190,
&end
#
# 15 VAL HA 15 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 188, 189, 190,
&end
#
# 15 VAL QG2 91 VAL HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1409, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 192, 193, 194,
&end
#
# 15 VAL QG2 57 GLN HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 192, 193, 194,
&end
#
# 15 VAL HA 15 VAL QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 192, 193, 194,
&end
#
# 15 VAL QG2 90 ASN HA 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 192, 193, 194,
&end
#
# 15 VAL QG2 57 GLN HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 192, 193, 194,
&end
#
# 133 LEU HB3 133 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2077,2078,2079,
&end
#
# 16 LEU HB3 16 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 207, 208, 209,
&end
#
# 16 LEU HB2 16 LEU HG 2.79
&rst
ixpk= 0, nxpk= 0, iat= 202, 205, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 16 LEU HG 64 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 978, 979, 980,
&end
#
# 133 LEU QD1 175 MET HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2747, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2077,2078,2079,
&end
#
# 17 LEU HA 55 LEU HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 219, 847, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 63 GLN HN 66 LEU HB2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 957,1005, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 17 LEU HB3 17 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 226, 227, 228,
&end
#
# 55 LEU QD1 56 VAL HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 854, 855, 856,
&end
#
# 55 LEU QD1 57 GLN HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 854, 855, 856,
&end
#
# 17 LEU HA 17 LEU QD2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 230, 231, 232,
&end
#
# 17 LEU QD2 55 LEU HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 230, 231, 232,
&end
#
# 18 VAL HA 19 SER QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 256, 257,
&end
#
# 17 LEU QD2 18 VAL HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 230, 231, 232,
&end
#
# 17 LEU HA 18 VAL HB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 219, 240, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 18 VAL HB 56 VAL QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 874, 875, 876,
&end
#
# 18 VAL QG1 21 LEU QD1 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 242, 243, 244,
igr2= 286, 287, 288,
&end
#
# 18 VAL QG2 19 SER HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 246, 247, 248,
&end
#
# 17 LEU HA 18 VAL QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 246, 247, 248,
&end
#
# 19 SER HA 21 LEU HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 254, 277, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 19 SER HA 53 ASN QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 830, 831,
&end
#
# 19 SER QB 54 ALA HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 256, 257,
&end
#
# 19 SER QB 53 ASN QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 256, 257,
igr2= 830, 831,
&end
#
# 19 SER HA 20 ASN HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 254, 265, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 20 ASN HB2 82 ARG+ HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 267,1259, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 20 ASN HA 20 ASN HD22 5.20
&rst
ixpk= 0, nxpk= 0, iat= 265, 273, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 21 LEU QB 53 ASN HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 281, 282,
&end
#
# 21 LEU QD2 53 ASN HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 290, 291, 292,
&end
#
# 21 LEU QD2 54 ALA HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 290, 291, 292,
&end
#
# 21 LEU QD2 26 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 290, 291, 292,
&end
#
# 19 SER HA 21 LEU QD2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 290, 291, 292,
&end
#
# 21 LEU QD2 52 GLU- HA 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 290, 291, 292,
&end
#
# 138 ILE HA 138 ILE QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2158,2159,
&end
#
# 105 LYS+ HA 105 LYS+ QD 3.58
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1632,1633,
&end
#
# 135 LEU HG 173 ILE QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2713,2714,2715,
&end
#
# 24 GLU- HA 24 GLU- QG 3.04
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 331, 332,
&end
#
# 24 GLU- HB3 25 ARG+ HG3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 329, 347, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 24 GLU- HB2 24 GLU- QG 2.80
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 331, 332,
&end
#
# 90 ASN HD22 92 GLN QG 3.86
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1432,1433,
&end
#
# 176 GLY HN 180 GLU- QG 4.14
&rst
ixpk= 0, nxpk= 0, iat=2760, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2816,2817,
&end
#
# 25 ARG+ HA 25 ARG+ HD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 341, 349, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 25 ARG+ HA 25 ARG+ HD3 4.08
&rst
ixpk= 0, nxpk= 0, iat= 341, 350, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 25 ARG+ HB2 26 VAL HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 343, 363, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 25 ARG+ HB3 26 VAL HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 344, 363, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 22 ASN HD22 25 ARG+ HD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 306, 349, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 25 ARG+ HB3 25 ARG+ HD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 25 ARG+ HB2 25 ARG+ HD2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 343, 349, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 25 ARG+ HB2 25 ARG+ HD3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 343, 350, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 25 ARG+ HB3 25 ARG+ HD3 4.01
&rst
ixpk= 0, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 25 ARG+ HB3 25 ARG+ HG2 2.90
&rst
ixpk= 0, nxpk= 0, iat= 344, 346, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 25 ARG+ HA 25 ARG+ HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 341, 347, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 24 GLU- HN 25 ARG+ HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat= 324, 347, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 26 VAL HB 27 THR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 367, 379, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 199 LEU QD1 200 ARG+ HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,3114, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=3104,3105,3106,
&end
#
# 199 LEU HA 199 LEU QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat=3097, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=3104,3105,3106,
&end
#
# 26 VAL HA 26 VAL QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 369, 370, 371,
&end
#
# 24 GLU- HN 26 VAL QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 373, 374, 375,
&end
#
# 25 ARG+ HN 26 VAL QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 373, 374, 375,
&end
#
# 22 ASN HN 26 VAL QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 373, 374, 375,
&end
#
# 21 LEU HG 26 VAL QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 373, 374, 375,
&end
#
# 21 LEU QB 26 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 281, 282,
igr2= 373, 374, 375,
&end
#
# 21 LEU QD2 26 VAL QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 290, 291, 292,
igr2= 373, 374, 375,
&end
#
# 26 VAL QG2 27 THR HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 373, 374, 375,
&end
#
# 27 THR HB 46 ILE QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 703, 704, 705,
&end
#
# 27 THR HA 27 THR QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 385, 386, 387,
&end
#
# 29 GLN HA 29 GLN HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 409, 414, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 29 GLN HN 30 SER QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 428, 429,
&end
#
# 31 LEU HB3 32 PHE HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 440, 454, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 31 LEU HB3 31 LEU QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 444, 445, 446,
&end
#
# 31 LEU HB2 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 31 LEU HB3 56 VAL QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 874, 875, 876,
&end
#
# 31 LEU QD1 56 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 444, 445, 446,
igr2= 874, 875, 876,
&end
#
# 27 THR HN 31 LEU QD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 448, 449, 450,
&end
#
# 31 LEU QD2 56 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 448, 449, 450,
igr2= 874, 875, 876,
&end
#
# 31 LEU HB2 31 LEU QD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 448, 449, 450,
&end
#
# 31 LEU HG 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 32 PHE HA 44 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 658, 659, 660,
&end
#
# 29 GLN HB3 32 PHE HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 412, 458, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 29 GLN HA 32 PHE HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 409, 458, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 32 PHE HB3 44 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 658, 659, 660,
&end
#
# 29 GLN HA 32 PHE HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 409, 459, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 33 ILE HA 33 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 487, 488, 489,
&end
#
# 33 ILE HB 34 LEU HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 478, 493, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 32 PHE QD 33 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 462, 470,
igr2= 487, 488, 489,
&end
#
# 186 ILE HA 186 ILE QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=2898, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2909,2910,2911,
&end
#
# 34 LEU HB2 34 LEU QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 506, 507, 508,
&end
#
# 34 LEU HB2 34 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 502, 503, 504,
&end
#
# 66 LEU HB3 66 LEU QD1 2.95
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1010,1011,1012,
&end
#
# 66 LEU HB2 66 LEU QD1 3.32
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1010,1011,1012,
&end
#
# 34 LEU QD2 35 PHE QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 506, 507, 508,
igr2= 522, 526,
&end
#
# 34 LEU HA 34 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 506, 507, 508,
&end
#
# 35 PHE HB2 41 VAL QG1 4.38
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 601, 602, 603,
&end
#
# 35 PHE HB3 41 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 601, 602, 603,
&end
#
# 35 PHE HB3 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 37 VAL HA 37 VAL QG1 3.76
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 545, 546, 547,
&end
#
# 37 VAL HB 38 TYR QD 5.07
&rst
ixpk= 0, nxpk= 0, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 563, 572,
&end
#
# 34 LEU HA 37 VAL QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 545, 546, 547,
&end
#
# 36 GLY HA2 37 VAL QG1 3.55
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 545, 546, 547,
&end
#
# 37 VAL HA 37 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 549, 550, 551,
&end
#
# 37 VAL QG2 38 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 549, 550, 551,
&end
#
# 37 VAL QG2 38 TYR HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 549, 550, 551,
&end
#
# 38 TYR HA 38 TYR QE 4.88
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 565, 570,
&end
#
# 38 TYR HB2 39 GLY HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 559, 576, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 38 TYR HB2 66 LEU QD2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1014,1015,1016,
&end
#
# 137 ASN HD22 200 ARG+ QD 5.05
&rst
ixpk= 0, nxpk= 0, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=3124,3125,
&end
#
# 38 TYR HN 39 GLY QA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 578, 579,
&end
#
# 137 ASN HD21 200 ARG+ QD 5.15
&rst
ixpk= 0, nxpk= 0, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=3124,3125,
&end
#
# 200 ARG+ HB2 200 ARG+ QD 3.68
&rst
ixpk= 0, nxpk= 0, iat=3118, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=3124,3125,
&end
#
# 154 ASN HA 154 ASN HD21 4.64
&rst
ixpk= 0, nxpk= 0, iat=2395,2402, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 153 SER HN 154 ASN HA 5.17
&rst
ixpk= 0, nxpk= 0, iat=2382,2395, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 42 GLN HB2 59 ALA HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 615, 914, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 43 ARG+ QD 57 GLN HE21 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 638, 639,
&end
#
# 43 ARG+ QD 45 LYS+ QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 638, 639,
igr2= 681, 682,
&end
#
# 43 ARG+ HA 105 LYS+ HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 630,1622, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 43 ARG+ HA 105 LYS+ HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 630,1627, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 43 ARG+ QB 106 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 632, 633,
&end
#
# 43 ARG+ QB 105 LYS+ HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 632, 633,
&end
#
# 43 ARG+ QB 45 LYS+ QE 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 632, 633,
igr2= 681, 682,
&end
#
# 43 ARG+ QB 57 GLN HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 632, 633,
&end
#
# 43 ARG+ QG 57 GLN HE21 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 635, 636,
&end
#
# 44 VAL HA 56 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 870, 871, 872,
&end
#
# 44 VAL HA 44 VAL QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 662, 663, 664,
&end
#
# 43 ARG+ QB 44 VAL HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 654, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 632, 633,
&end
#
# 43 ARG+ HA 44 VAL HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= 630, 656, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 44 VAL HB 56 VAL HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= 656, 866, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 44 VAL HA 44 VAL QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 658, 659, 660,
&end
#
# 142 VAL QG2 146 ASP- QB 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2216,2217,2218,
igr2=2267,2268,
&end
#
# 44 VAL QG1 56 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 658, 659, 660,
igr2= 874, 875, 876,
&end
#
# 45 LYS+ HA 104 THR QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ HB3 104 THR QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ HB2 104 THR QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ HB2 55 LEU QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 854, 855, 856,
&end
#
# 45 LYS+ HB3 55 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 854, 855, 856,
&end
#
# 45 LYS+ HA 45 LYS+ HD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 670, 678, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 45 LYS+ HA 45 LYS+ HD3 4.82
&rst
ixpk= 0, nxpk= 0, iat= 670, 679, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 45 LYS+ HA 46 ILE HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 670, 694, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 46 ILE HB 103 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1602,1603,1604,
&end
#
# 46 ILE HB 47 LEU HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 694, 709, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 46 ILE QD1 55 LEU HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 703, 704, 705,
&end
#
# 46 ILE QD1 47 LEU HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 703, 704, 705,
&end
#
# 46 ILE HA 46 ILE QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 703, 704, 705,
&end
#
# 27 THR HA 46 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 703, 704, 705,
&end
#
# 46 ILE QD1 54 ALA HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 703, 704, 705,
&end
#
# 46 ILE HB 46 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 703, 704, 705,
&end
#
# 46 ILE QG2 46 ILE QD1 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 696, 697, 698,
igr2= 703, 704, 705,
&end
#
# 46 ILE QD1 56 VAL QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 703, 704, 705,
igr2= 874, 875, 876,
&end
#
# 45 LYS+ HA 46 ILE HG13 5.17
&rst
ixpk= 0, nxpk= 0, iat= 670, 701, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 45 LYS+ HN 46 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat= 668, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE QG2 55 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 696, 697, 698,
&end
#
# 47 LEU QD1 51 LYS+ HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 718, 719, 720,
&end
#
# 46 ILE HA 46 ILE QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 696, 697, 698,
&end
#
# 47 LEU QD1 50 LYS+ HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 767, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 718, 719, 720,
&end
#
# 47 LEU HA 48 PHE QB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 732, 733,
&end
#
# 47 LEU HA 47 LEU HG 3.89
&rst
ixpk= 0, nxpk= 0, iat= 711, 716, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 50 LYS+ HA 51 LYS+ HN 3.46
&rst
ixpk= 0, nxpk= 0, iat= 764, 784, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 53 ASN HA 54 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 839, 840, 841,
&end
#
# 53 ASN HB3 54 ALA HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 826, 835, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 53 ASN HB2 54 ALA HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 825, 835, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 46 ILE HA 54 ALA HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= 692, 837, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 47 LEU HB2 54 ALA HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= 713, 837, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 47 LEU HN 54 ALA HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= 709, 837, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 54 ALA QB 55 LEU HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 839, 840, 841,
&end
#
# 201 VAL QG2 202 SER HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,3156, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=3148,3149,3150,
&end
#
# 54 ALA QB 56 VAL QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 839, 840, 841,
igr2= 874, 875, 876,
&end
#
# 18 VAL HN 55 LEU HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 236, 847, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 55 LEU HA 55 LEU QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 854, 855, 856,
&end
#
# 55 LEU HA 56 VAL HB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 847, 868, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 18 VAL QG2 55 LEU HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 246, 247, 248,
&end
#
# 55 LEU HB3 55 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 858, 859, 860,
&end
#
# 55 LEU HB3 56 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 55 LEU HB2 56 VAL HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 55 LEU QD2 56 VAL HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 858, 859, 860,
&end
#
# 45 LYS+ QE 55 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 681, 682,
igr2= 858, 859, 860,
&end
#
# 55 LEU HB2 55 LEU QD2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 858, 859, 860,
&end
#
# 44 VAL HA 56 VAL HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= 654, 866, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 VAL HA 56 VAL QG1 3.93
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 870, 871, 872,
&end
#
# 44 VAL QG1 56 VAL HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 658, 659, 660,
&end
#
# 55 LEU QD1 56 VAL HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 854, 855, 856,
&end
#
# 45 LYS+ QE 56 VAL HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 866, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 681, 682,
&end
#
# 55 LEU QD1 56 VAL HB 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 854, 855, 856,
&end
#
# 18 VAL QG2 56 VAL HB 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 246, 247, 248,
&end
#
# 18 VAL HB 56 VAL HB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 240, 868, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 16 LEU HB2 56 VAL HB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 202, 868, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 56 VAL QG1 57 GLN HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 870, 871, 872,
&end
#
# 35 PHE QD 56 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 520, 528,
igr2= 870, 871, 872,
&end
#
# 35 PHE HB2 56 VAL QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 870, 871, 872,
&end
#
# 35 PHE HB3 56 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 870, 871, 872,
&end
#
# 44 VAL QG1 56 VAL QG1 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 658, 659, 660,
igr2= 870, 871, 872,
&end
#
# 56 VAL QG1 58 MET QE 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 870, 871, 872,
igr2= 908, 909, 910,
&end
#
# 56 VAL QG2 57 GLN HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 874, 875, 876,
&end
#
# 55 LEU HN 56 VAL QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 874, 875, 876,
&end
#
# 18 VAL HN 56 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 56 VAL HA 56 VAL QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 874, 875, 876,
&end
#
# 44 VAL HA 56 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 874, 875, 876,
&end
#
# 44 VAL QG2 56 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 662, 663, 664,
igr2= 874, 875, 876,
&end
#
# 18 VAL QG2 56 VAL QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 246, 247, 248,
igr2= 874, 875, 876,
&end
#
# 15 VAL HN 57 GLN HG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 182, 887, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 174 GLN HN 174 GLN HG3 5.15
&rst
ixpk= 0, nxpk= 0, iat=2726,2734, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 136 SER HA 170 MET HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat=2125,2669, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 29 GLN HA 29 GLN HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat= 409, 415, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 41 VAL HN 58 MET QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 908, 909, 910,
&end
#
# 40 ASP- HN 58 MET QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 908, 909, 910,
&end
#
# 39 GLY HN 58 MET QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 908, 909, 910,
&end
#
# 42 GLN HG2 59 ALA HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 618, 916, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 42 GLN HG3 59 ALA HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= 619, 916, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 59 ALA QB 60 ASP- HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 918, 919, 920,
&end
#
# 59 ALA QB 63 GLN HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 918, 919, 920,
&end
#
# 58 MET HA 59 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 918, 919, 920,
&end
#
# 59 ALA QB 60 ASP- HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 918, 919, 920,
&end
#
# 42 GLN HA 59 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 613, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 918, 919, 920,
&end
#
# 40 ASP- QB 59 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 587, 588,
igr2= 918, 919, 920,
&end
#
# 59 ALA QB 63 GLN HG3 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 918, 919, 920,
&end
#
# 59 ALA QB 63 GLN HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 918, 919, 920,
&end
#
# 61 GLY HA1 63 GLN HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 938, 957, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 61 GLY HA2 63 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 939, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLY HA1 64 ALA HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 938, 974, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 60 ASP- HB3 61 GLY HA1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 929, 938, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 60 ASP- HB3 61 GLY HA2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 929, 939, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 61 GLY HA1 64 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 978, 979, 980,
&end
#
# 61 GLY HA2 64 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 978, 979, 980,
&end
#
# 61 GLY HA2 64 ALA HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 939, 974, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 62 ASN HB2 63 GLN HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 947, 957, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 62 ASN HB3 63 GLN HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 948, 957, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 63 GLN HA 63 GLN HE22 4.68
&rst
ixpk= 0, nxpk= 0, iat= 959, 970, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 63 GLN HA 66 LEU HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 959,1005, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 62 ASN HN 63 GLN HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 943, 964, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 190 ASN HA 198 HIS HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=2965,3083, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 16 LEU HG 64 ALA HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= 205, 976, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 16 LEU QD1 64 ALA HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 207, 208, 209,
&end
#
# 64 ALA QB 65 GLN HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 978, 979, 980,
&end
#
# 60 ASP- HN 64 ALA QB 5.30
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 978, 979, 980,
&end
#
# 13 ASN HN 64 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 978, 979, 980,
&end
#
# 58 MET HN 64 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 978, 979, 980,
&end
#
# 63 GLN HN 64 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 978, 979, 980,
&end
#
# 16 LEU HN 64 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 978, 979, 980,
&end
#
# 14 SER HA 64 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 978, 979, 980,
&end
#
# 64 ALA QB 65 GLN QG 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 978, 979, 980,
igr2= 991, 992,
&end
#
# 58 MET HB3 64 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 978, 979, 980,
&end
#
# 16 LEU QD1 64 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 207, 208, 209,
igr2= 978, 979, 980,
&end
#
# 64 ALA QB 68 MET QE 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 978, 979, 980,
igr2=1041,1042,1043,
&end
#
# 15 VAL QG2 64 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 192, 193, 194,
igr2= 978, 979, 980,
&end
#
# 65 GLN HA 68 MET HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 986,1030, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 65 GLN HA 68 MET QE 3.57
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1041,1042,1043,
&end
#
# 66 LEU HA 66 LEU QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1014,1015,1016,
&end
#
# 66 LEU HA 66 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1010,1011,1012,
&end
#
# 64 ALA QB 65 GLN QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 978, 979, 980,
igr2= 988, 989,
&end
#
# 63 GLN HN 65 GLN QG 5.25
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 991, 992,
&end
#
# 65 GLN HA 65 GLN QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 991, 992,
&end
#
# 62 ASN HA 65 GLN QG 3.82
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 991, 992,
&end
#
# 65 GLN QB 65 GLN QG 2.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1= 988, 989,
igr2= 991, 992,
&end
#
# 66 LEU HB2 66 LEU QD2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1014,1015,1016,
&end
#
# 38 TYR HB2 66 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1010,1011,1012,
&end
#
# 67 ALA HA 70 HIS HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1022,1058, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 38 TYR HN 67 ALA HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 555,1022, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 67 ALA HA 71 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=1022,1075, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 38 TYR HB2 67 ALA HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 559,1022, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 38 TYR HB3 67 ALA HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= 560,1022, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 67 ALA HA 70 HIS HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1022,1062, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 67 ALA HA 71 LEU QD2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1088,1089,1090,
&end
#
# 38 TYR HN 67 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1024,1025,1026,
&end
#
# 38 TYR QE 67 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 565, 570,
igr2=1024,1025,1026,
&end
#
# 38 TYR HB2 67 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1024,1025,1026,
&end
#
# 38 TYR HB3 67 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1024,1025,1026,
&end
#
# 67 ALA QB 83 ILE QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1024,1025,1026,
igr2=1282,1283,1284,
&end
#
# 68 MET HA 72 ASN HD22 5.18
&rst
ixpk= 0, nxpk= 0, iat=1032,1104, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 68 MET HA 83 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1282,1283,1284,
&end
#
# 68 MET HA 71 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1084,1085,1086,
&end
#
# 68 MET QE 84 THR HA 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1041,1042,1043,
&end
#
# 68 MET QE 85 LEU HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1041,1042,1043,
&end
#
# 68 MET QE 83 ILE QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1041,1042,1043,
igr2=1282,1283,1284,
&end
#
# 68 MET QE 85 LEU HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1041,1042,1043,
&end
#
# 68 MET QE 84 THR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1041,1042,1043,
&end
#
# 68 MET QE 85 LEU HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1041,1042,1043,
&end
#
# 69 SER HA 69 SER QB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=1051,1052,
&end
#
# 69 SER QB 71 LEU HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1051,1052,
&end
#
# 69 SER QB 70 HIS HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1051,1052,
&end
#
# 66 LEU QD2 69 SER QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1014,1015,1016,
igr2=1051,1052,
&end
#
# 65 GLN QB 69 SER QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 988, 989,
igr2=1051,1052,
&end
#
# 69 SER QB 70 HIS HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1051,1052,
&end
#
# 70 HIS HA 70 HIS HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1060,1071, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 35 PHE QD 71 LEU QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 520, 528,
igr2=1084,1085,1086,
&end
#
# 71 LEU QD1 72 ASN HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1084,1085,1086,
&end
#
# 71 LEU HA 71 LEU QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1084,1085,1086,
&end
#
# 34 LEU HA 71 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1084,1085,1086,
&end
#
# 67 ALA HN 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 71 LEU HA 71 LEU QD2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1088,1089,1090,
&end
#
# 35 PHE HA 71 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1088,1089,1090,
&end
#
# 35 PHE HB2 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 38 TYR HB2 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1088,1089,1090,
&end
#
# 67 ALA QB 71 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1024,1025,1026,
igr2=1088,1089,1090,
&end
#
# 71 LEU HB3 71 LEU QD2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1088,1089,1090,
&end
#
# 37 VAL QG2 71 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 549, 550, 551,
igr2=1088,1089,1090,
&end
#
# 72 ASN HA 73 GLY HA2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1096,1111, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 74 HIS HA 74 HIS HD2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1117,1128, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 71 LEU QD1 74 HIS HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1084,1085,1086,
&end
#
# 71 LEU QD2 74 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1088,1089,1090,
&end
#
# 74 HIS HB2 81 ILE QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1239,1240,1241,
&end
#
# 75 LYS+ HD2 76 LEU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=1142,1154, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 137 ASN HA 137 ASN HD22 4.89
&rst
ixpk= 0, nxpk= 0, iat=2136,2144, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 136 SER HA 137 ASN HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=2125,2136, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 76 LEU HA 76 LEU QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1163,1164,1165,
&end
#
# 76 LEU HB2 76 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1163,1164,1165,
&end
#
# 76 LEU HB3 76 LEU QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1163,1164,1165,
&end
#
# 76 LEU HA 76 LEU QD2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1167,1168,1169,
&end
#
# 76 LEU HB2 76 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1167,1168,1169,
&end
#
# 78 GLY HA1 79 LYS+ QE 5.18
&rst
ixpk= 0, nxpk= 0, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1210,1211,
&end
#
# 154 ASN HA 155 GLY HA2 5.13
&rst
ixpk= 0, nxpk= 0, iat=2395,2410, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 79 LYS+ HB2 79 LYS+ QE 4.56
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1210,1211,
&end
#
# 79 LYS+ HB3 79 LYS+ QE 4.44
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1210,1211,
&end
#
# 79 LYS+ HB2 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1239,1240,1241,
&end
#
# 79 LYS+ HA 79 LYS+ HD2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1199,1207, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 79 LYS+ HA 79 LYS+ HD3 4.61
&rst
ixpk= 0, nxpk= 0, iat=1199,1208, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 20 ASN HD22 79 LYS+ HD3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 273,1208, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 79 LYS+ HG2 79 LYS+ QE 2.79
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=1210,1211,
&end
#
# 76 LEU HN 79 LYS+ QE 4.16
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1210,1211,
&end
#
# 60 ASP- HB3 62 ASN HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= 929, 943, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 20 ASN HB2 81 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 267,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 ILE HA 81 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1246,1247,1248,
&end
#
# 81 ILE HB 81 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1246,1247,1248,
&end
#
# 76 LEU HN 81 ILE QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1239,1240,1241,
&end
#
# 81 ILE QG2 82 ARG+ HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1239,1240,1241,
&end
#
# 81 ILE HA 81 ILE QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1239,1240,1241,
&end
#
# 81 ILE QG2 82 ARG+ HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1239,1240,1241,
&end
#
# 20 ASN HB2 81 ILE QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1239,1240,1241,
&end
#
# 73 GLY HA2 81 ILE QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1239,1240,1241,
&end
#
# 79 LYS+ QE 81 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1210,1211,
igr2=1239,1240,1241,
&end
#
# 20 ASN HB3 81 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1239,1240,1241,
&end
#
# 81 ILE QG2 81 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1239,1240,1241,
igr2=1246,1247,1248,
&end
#
# 76 LEU QD2 81 ILE QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1167,1168,1169,
igr2=1239,1240,1241,
&end
#
# 82 ARG+ HA 83 ILE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1254,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 ARG+ HB2 83 ILE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1256,1276, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 82 ARG+ HB3 83 ILE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=1257,1276, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 19 SER HN 82 ARG+ HB2 5.32
&rst
ixpk= 0, nxpk= 0, iat= 252,1256, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 19 SER HN 82 ARG+ HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat= 252,1257, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 82 ARG+ QD 83 ILE HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1262,1263,
&end
#
# 82 ARG+ HG2 82 ARG+ QD 2.50
&rst
ixpk= 0, nxpk= 0, iat=1259, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2=1262,1263,
&end
#
# 82 ARG+ QD 84 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1262,1263,
igr2=1301,1302,1303,
&end
#
# 81 ILE QD1 82 ARG+ QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1246,1247,1248,
igr2=1262,1263,
&end
#
# 82 ARG+ HA 82 ARG+ HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat=1254,1260, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 95 ARG+ QG 95 ARG+ QD 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1482,1483,
igr2=1485,1486,
&end
#
# 83 ILE HA 83 ILE QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1282,1283,1284,
&end
#
# 82 ARG+ HA 83 ILE HB 5.24
&rst
ixpk= 0, nxpk= 0, iat=1254,1280, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 72 ASN HD21 83 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1289,1290,1291,
&end
#
# 72 ASN HN 83 ILE QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1289,1290,1291,
&end
#
# 72 ASN HD22 83 ILE QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1289,1290,1291,
&end
#
# 72 ASN HB2 83 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1289,1290,1291,
&end
#
# 72 ASN HA 83 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat=1096, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1289,1290,1291,
&end
#
# 82 ARG+ HA 83 ILE QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1289,1290,1291,
&end
#
# 83 ILE HA 83 ILE QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1289,1290,1291,
&end
#
# 71 LEU QD2 83 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1088,1089,1090,
igr2=1289,1290,1291,
&end
#
# 83 ILE HB 83 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1289,1290,1291,
&end
#
# 20 ASN HB3 83 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1289,1290,1291,
&end
#
# 83 ILE QG2 84 THR HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1282,1283,1284,
&end
#
# 68 MET HN 83 ILE QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1282,1283,1284,
&end
#
# 68 MET QE 84 THR HB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1041,1042,1043,
&end
#
# 84 THR QG2 85 LEU HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1301,1302,1303,
&end
#
# 83 ILE HA 84 THR QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1301,1302,1303,
&end
#
# 82 ARG+ HA 84 THR QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1301,1302,1303,
&end
#
# 13 ASN HD21 85 LEU HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 166,1311, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 84 THR HN 85 LEU HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 85 LEU HA 85 LEU QD2 3.33
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1322,1323,1324,
&end
#
# 34 LEU HB3 34 LEU QD2 3.06
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 506, 507, 508,
&end
#
# 68 MET QE 85 LEU HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1314, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1041,1042,1043,
&end
#
# 85 LEU HB3 85 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1322,1323,1324,
&end
#
# 82 ARG+ HB3 82 ARG+ QD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1262,1263,
&end
#
# 82 ARG+ HB2 82 ARG+ QD 4.03
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1262,1263,
&end
#
# 87 LYS+ HA 87 LYS+ QG 3.23
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1346,1347,
&end
#
# 87 LYS+ HA 87 LYS+ HB3 2.85
&rst
ixpk= 0, nxpk= 0, iat=1341,1344, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 87 LYS+ HA 87 LYS+ HB2 2.73
&rst
ixpk= 0, nxpk= 0, iat=1341,1343, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 71 LEU QD1 74 HIS HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1084,1085,1086,
&end
#
# 57 GLN HE22 90 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 893,1397, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 57 GLN HE21 90 ASN HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 892,1397, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 57 GLN HE21 90 ASN HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 892,1399, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 15 VAL QG2 90 ASN HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 192, 193, 194,
&end
#
# 57 GLN HE21 90 ASN HB3 5.03
&rst
ixpk= 0, nxpk= 0, iat= 892,1400, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 90 ASN HB3 91 VAL HN 3.39
&rst
ixpk= 0, nxpk= 0, iat=1400,1409, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 15 VAL QG2 90 ASN HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 192, 193, 194,
&end
#
# 90 ASN HA 91 VAL HA 4.27
&rst
ixpk= 0, nxpk= 0, iat=1397,1411, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 91 VAL HA 91 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1419,1420,1421,
&end
#
# 91 VAL QG1 92 GLN HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1415,1416,1417,
&end
#
# 91 VAL HA 91 VAL QG1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1415,1416,1417,
&end
#
# 90 ASN HB3 91 VAL QG1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1415,1416,1417,
&end
#
# 92 GLN HA 92 GLN QG 3.31
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1432,1433,
&end
#
# 92 GLN HA 93 LEU HA 4.47
&rst
ixpk= 0, nxpk= 0, iat=1427,1444, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 92 GLN HA 93 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1427,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LEU HB2 93 LEU QD1 3.88
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1451,1452,1453,
&end
#
# 93 LEU HB3 93 LEU QD2 3.99
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1455,1456,1457,
&end
#
# 93 LEU HB3 93 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1451,1452,1453,
&end
#
# 135 LEU QD1 151 PHE QD 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2113,2114,2115,
igr2=2359,2367,
&end
#
# 93 LEU HA 93 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1451,1452,1453,
&end
#
# 93 LEU HA 93 LEU QD2 3.29
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1455,1456,1457,
&end
#
# 93 LEU HB2 93 LEU QD2 2.83
&rst
ixpk= 0, nxpk= 0, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1455,1456,1457,
&end
#
# 95 ARG+ HA 95 ARG+ QD 3.97
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1485,1486,
&end
#
# 95 ARG+ HA 95 ARG+ QG 2.78
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2=1482,1483,
&end
#
# 96 GLU- HA 96 GLU- QB 2.67
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1503,1504,
&end
#
# 96 GLU- QB 96 GLU- QG 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1503,1504,
igr2=1506,1507,
&end
#
# 98 GLN HA 98 GLN HB2 3.04
&rst
ixpk= 0, nxpk= 0, iat=1523,1525, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 98 GLN HA 98 GLN HB3 2.95
&rst
ixpk= 0, nxpk= 0, iat=1523,1526, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 95 ARG+ HN 98 GLN HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1475,1525, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 98 GLN HG2 99 GLU- HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1528,1538, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 95 ARG+ HN 98 GLN HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1475,1528, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 99 GLU- HA 99 GLU- HG3 3.09
&rst
ixpk= 0, nxpk= 0, iat=1540,1546, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 145 GLU- QB 145 GLU- HG3 2.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2256, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
igr1=2252,2253,
&end
#
# 168 ARG+ HA 168 ARG+ QD 3.85
&rst
ixpk= 0, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=2625,2626,
&end
#
# 101 GLN HA 101 GLN QG 3.09
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1572,1573,
&end
#
# 91 VAL HA 92 GLN QG 4.05
&rst
ixpk= 0, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1432,1433,
&end
#
# 150 LEU HB2 188 LEU QD2 4.94
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2940,2941,2942,
&end
#
# 103 LEU QD1 104 THR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1598,1599,1600,
&end
#
# 48 PHE QD 103 LEU QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 736, 744,
igr2=1598,1599,1600,
&end
#
# 48 PHE HN 103 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1598,1599,1600,
&end
#
# 48 PHE HA 103 LEU QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1598,1599,1600,
&end
#
# 103 LEU HA 103 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1598,1599,1600,
&end
#
# 103 LEU QD2 104 THR HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1608, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1602,1603,1604,
&end
#
# 172 LEU QD1 173 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2697,2698,2699,
&end
#
# 135 LEU HN 172 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat=2104, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2697,2698,2699,
&end
#
# 134 HIS HA 172 LEU QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2697,2698,2699,
&end
#
# 134 HIS HB3 172 LEU QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=2092, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2697,2698,2699,
&end
#
# 133 LEU HN 172 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2701,2702,2703,
&end
#
# 134 HIS HA 172 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2701,2702,2703,
&end
#
# 45 LYS+ HB3 104 THR HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 673,1610, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 45 LYS+ HB2 104 THR HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 672,1610, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 104 THR HB 105 LYS+ HN 4.40
&rst
ixpk= 0, nxpk= 0, iat=1612,1622, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 104 THR HA 104 THR QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1614,1615,1616,
&end
#
# 45 LYS+ QE 104 THR QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 681, 682,
igr2=1614,1615,1616,
&end
#
# 188 LEU QD2 201 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2940,2941,2942,
igr2=3144,3145,3146,
&end
#
# 185 LEU QD2 201 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2890,2891,2892,
igr2=3144,3145,3146,
&end
#
# 105 LYS+ HB2 106 ASP- HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=1626,1644, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 106 ASP- HB2 107 TYR HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1648,1656, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 105 LYS+ HA 106 ASP- HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1624,1648, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 105 LYS+ HA 106 ASP- HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat=1624,1649, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 108 GLY QA 110 SER HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1679,1680,
&end
#
# 108 GLY QA 109 ASN HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1679,1680,
&end
#
# 107 TYR HA 108 GLY QA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1679,1680,
&end
#
# 108 GLY QA 109 ASN HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1686, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1679,1680,
&end
#
# 26 VAL HA 26 VAL QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 373, 374, 375,
&end
#
# 112 LEU QB 112 LEU QD2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1727,1728,
igr2=1736,1737,1738,
&end
#
# 112 LEU HA 112 LEU QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1732,1733,1734,
&end
#
# 47 LEU HA 47 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 722, 723, 724,
&end
#
# 113 HIS HA 115 PHE HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=1744,1783, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 112 LEU QB 113 HIS HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1727,1728,
&end
#
# 115 PHE HB2 116 LYS+ HA 4.30
&rst
ixpk= 0, nxpk= 0, iat=1787,1805, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 117 LYS+ HB2 117 LYS+ HE3 4.07
&rst
ixpk= 0, nxpk= 0, iat=1829,1839, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 117 LYS+ HB2 117 LYS+ QG 2.90
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1832,1833,
&end
#
# 117 LYS+ QG 119 GLY HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1861, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1832,1833,
&end
#
# 117 LYS+ QG 117 LYS+ HE3 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1832,1833,
&end
#
# 117 LYS+ HB2 120 SER HA 4.47
&rst
ixpk= 0, nxpk= 0, iat=1829,1870, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 117 LYS+ HB3 120 SER HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1830,1870, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 SER HB2 131 ALA HN 3.65
&rst
ixpk= 0, nxpk= 0, iat=2037,2044, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 130 SER HB2 178 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2784,2785,2786,
&end
#
# 130 SER HB2 131 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2048,2049,2050,
&end
#
# 130 SER HB3 178 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2784,2785,2786,
&end
#
# 123 PHE HA 126 ILE HG12 4.05
&rst
ixpk= 0, nxpk= 0, iat=1917,1976, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 123 PHE HA 126 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1979,1980,1981,
&end
#
# 123 PHE HB3 126 ILE QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1972,1973,1974,
&end
#
# 125 ASN HA 126 ILE HG13 4.88
&rst
ixpk= 0, nxpk= 0, iat=1954,1977, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 125 ASN HB2 126 ILE HN 3.72
&rst
ixpk= 0, nxpk= 0, iat=1956,1966, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 125 ASN HB3 126 ILE QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1972,1973,1974,
&end
#
# 126 ILE HA 126 ILE HG13 3.92
&rst
ixpk= 0, nxpk= 0, iat=1968,1977, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 126 ILE HB 127 PHE HN 4.25
&rst
ixpk= 0, nxpk= 0, iat=1970,1985, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 125 ASN HA 126 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1954, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1979,1980,1981,
&end
#
# 126 ILE HB 126 ILE QD1 3.44
&rst
ixpk= 0, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1979,1980,1981,
&end
#
# 123 PHE HB2 126 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1979,1980,1981,
&end
#
# 123 PHE HB3 126 ILE QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1979,1980,1981,
&end
#
# 126 ILE HA 126 ILE HG12 4.04
&rst
ixpk= 0, nxpk= 0, iat=1968,1976, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 126 ILE HG12 127 PHE HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=1976,1985, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 126 ILE HG13 127 PHE HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1977,1985, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 126 ILE QG2 127 PHE HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1972,1973,1974,
&end
#
# 126 ILE HA 126 ILE QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1972,1973,1974,
&end
#
# 126 ILE QG2 126 ILE HG12 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1972,1973,1974,
&end
#
# 188 LEU HA 188 LEU HG 3.69
&rst
ixpk= 0, nxpk= 0, iat=2929,2934, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 150 LEU QD1 188 LEU HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2929, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2341,2342,2343,
&end
#
# 130 SER HA 132 THR HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=2035,2054, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 130 SER HB2 203 PHE QD 5.49
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=3173,3181,
&end
#
# 131 ALA QB 178 VAL HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 133 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2068, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 132 THR HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HE22 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 178 VAL HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2780, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2048,2049,2050,
&end
#
# 130 SER HA 131 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2728, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 178 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2048,2049,2050,
igr2=2784,2785,2786,
&end
#
# 131 ALA QB 175 MET HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2748, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2733, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2734, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2048,2049,2050,
&end
#
# 132 THR HA 175 MET HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=2056,2743, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 131 ALA QB 132 THR HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2048,2049,2050,
&end
#
# 132 THR HA 172 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2701,2702,2703,
&end
#
# 132 THR HA 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2713,2714,2715,
&end
#
# 132 THR HA 174 GLN HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat=2056,2733, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 132 THR HB 133 LEU HN 5.06
&rst
ixpk= 0, nxpk= 0, iat=2058,2068, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 132 THR HB 204 SER HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat=2058,3190, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 131 ALA QB 132 THR HB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2048,2049,2050,
&end
#
# 132 THR HA 132 THR QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2060,2061,2062,
&end
#
# 133 LEU QD1 173 ILE QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2077,2078,2079,
igr2=2713,2714,2715,
&end
#
# 134 HIS HB2 202 SER HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=2091,3154, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 135 LEU HA 202 SER HN 4.76
&rst
ixpk= 0, nxpk= 0, iat=2106,3154, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 135 LEU HA 200 ARG+ HN 5.05
&rst
ixpk= 0, nxpk= 0, iat=2106,3114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 135 LEU HB3 199 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=3104,3105,3106,
&end
#
# 135 LEU QD2 136 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2123, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2117,2118,2119,
&end
#
# 135 LEU HB2 135 LEU QD2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2108, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2117,2118,2119,
&end
#
# 135 LEU QD2 173 ILE HB 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=2117,2118,2119,
&end
#
# 135 LEU QD2 173 ILE QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2117,2118,2119,
igr2=2713,2714,2715,
&end
#
# 136 SER HA 171 ALA HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=2125,2678, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 136 SER HA 170 MET HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=2125,2668, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 136 SER HA 138 ILE QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2161,2162,2163,
&end
#
# 136 SER HA 138 ILE QG2 5.40
&rst
ixpk= 0, nxpk= 0, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2154,2155,2156,
&end
#
# 135 LEU QD1 136 SER HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2113,2114,2115,
&end
#
# 136 SER HB3 137 ASN HN 3.46
&rst
ixpk= 0, nxpk= 0, iat=2128,2134, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 202 SER HB2 203 PHE HN 3.85
&rst
ixpk= 0, nxpk= 0, iat=3158,3165, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 136 SER HB2 170 MET HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat=2127,2669, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 136 SER HB3 170 MET HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat=2128,2669, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 136 SER HB3 137 ASN HB3 4.73
&rst
ixpk= 0, nxpk= 0, iat=2128,2139, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 137 ASN HB2 137 ASN HD21 4.04
&rst
ixpk= 0, nxpk= 0, iat=2138,2143, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 137 ASN HB2 200 ARG+ HN 4.46
&rst
ixpk= 0, nxpk= 0, iat=2138,3114, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 137 ASN HB2 200 ARG+ QD 4.58
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=3124,3125,
&end
#
# 137 ASN HB2 199 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=3104,3105,3106,
&end
#
# 137 ASN HB3 200 ARG+ HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=2139,3114, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 137 ASN HB3 200 ARG+ QD 4.40
&rst
ixpk= 0, nxpk= 0, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=3124,3125,
&end
#
# 138 ILE HA 138 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2154,2155,2156,
&end
#
# 138 ILE HA 197 HIS HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat=2150,3066, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 138 ILE QD1 170 MET HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2161,2162,2163,
&end
#
# 138 ILE HA 138 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2161,2162,2163,
&end
#
# 138 ILE HB 138 ILE QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2161,2162,2163,
&end
#
# 138 ILE QG2 138 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=2154,2155,2156,
igr2=2161,2162,2163,
&end
#
# 138 ILE QD1 170 MET HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2161,2162,2163,
&end
#
# 138 ILE QG2 138 ILE QG1 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2154,2155,2156,
igr2=2158,2159,
&end
#
# 142 VAL HA 142 VAL QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2216,2217,2218,
&end
#
# 142 VAL QG1 146 ASP- QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2212,2213,2214,
igr2=2267,2268,
&end
#
# 149 VAL QG1 150 LEU HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2322,2323,2324,
&end
#
# 141 SER HB3 142 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2216,2217,2218,
&end
#
# 143 SER HB2 144 GLU- HN 4.06
&rst
ixpk= 0, nxpk= 0, iat=2226,2233, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 143 SER HB3 144 GLU- HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=2227,2233, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 142 VAL QG1 143 SER HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2227, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2212,2213,2214,
&end
#
# 143 SER HB2 145 GLU- QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2252,2253,
&end
#
# 143 SER HB3 145 GLU- QB 4.62
&rst
ixpk= 0, nxpk= 0, iat=2227, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2252,2253,
&end
#
# 143 SER HB2 144 GLU- HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat=2226,2238, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 143 SER HB3 144 GLU- HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat=2227,2238, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 144 GLU- HA 147 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2288,2289,2290,
&end
#
# 143 SER HA 144 GLU- HA 4.65
&rst
ixpk= 0, nxpk= 0, iat=2224,2235, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 144 GLU- HA 146 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2235,2263, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 GLU- HN 145 GLU- HA 5.45
&rst
ixpk= 0, nxpk= 0, iat=2233,2250, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 145 GLU- HA 145 GLU- HG3 3.70
&rst
ixpk= 0, nxpk= 0, iat=2250,2256, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 145 GLU- HA 145 GLU- HG2 3.73
&rst
ixpk= 0, nxpk= 0, iat=2250,2255, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 145 GLU- HG2 149 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2322,2323,2324,
&end
#
# 145 GLU- HG3 149 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2326,2327,2328,
&end
#
# 146 ASP- HA 149 VAL QG1 3.57
&rst
ixpk= 0, nxpk= 0, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2322,2323,2324,
&end
#
# 24 GLU- HA 24 GLU- HB3 3.04
&rst
ixpk= 0, nxpk= 0, iat= 326, 329, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 146 ASP- HA 149 VAL HB 2.98
&rst
ixpk= 0, nxpk= 0, iat=2265,2320, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 147 LEU HA 151 PHE QD 5.23
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2359,2367,
&end
#
# 147 LEU HA 150 LEU QD2 4.69
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2345,2346,2347,
&end
#
# 150 LEU HB3 188 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2936,2937,2938,
&end
#
# 150 LEU HB3 188 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2940,2941,2942,
&end
#
# 150 LEU HB3 151 PHE QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2359,2367,
&end
#
# 147 LEU QD1 150 LEU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2284,2285,2286,
&end
#
# 147 LEU QD1 151 PHE QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2284,2285,2286,
igr2=2359,2367,
&end
#
# 147 LEU HA 147 LEU QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=2284,2285,2286,
&end
#
# 144 GLU- HA 147 LEU QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2284,2285,2286,
&end
#
# 147 LEU QD2 151 PHE QD 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2288,2289,2290,
igr2=2359,2367,
&end
#
# 147 LEU HA 147 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2288,2289,2290,
&end
#
# 147 LEU HB2 147 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2288,2289,2290,
&end
#
# 148 LYS+ HA 151 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat=2296,2351, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 148 LYS+ HA 151 PHE QB 4.20
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2355,2356,
&end
#
# 148 LYS+ HA 148 LYS+ QG 4.09
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2301,2302,
&end
#
# 148 LYS+ QG 151 PHE HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2301,2302,
&end
#
# 149 VAL HA 152 SER HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat=2318,2375, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 149 VAL HA 149 VAL QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2326,2327,2328,
&end
#
# 148 LYS+ HB3 149 VAL HA 4.69
&rst
ixpk= 0, nxpk= 0, iat=2299,2318, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 112 LEU QB 112 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1727,1728,
igr2=1732,1733,1734,
&end
#
# 150 LEU HB2 188 LEU QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2936,2937,2938,
&end
#
# 150 LEU HA 150 LEU QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2341,2342,2343,
&end
#
# 147 LEU HA 150 LEU QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2341,2342,2343,
&end
#
# 150 LEU QD1 191 HIS HB3 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2982, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2341,2342,2343,
&end
#
# 150 LEU QD1 188 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2341,2342,2343,
igr2=2936,2937,2938,
&end
#
# 150 LEU HB3 150 LEU QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2341,2342,2343,
&end
#
# 150 LEU QD2 151 PHE HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2345,2346,2347,
&end
#
# 150 LEU QD2 191 HIS HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2990, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2345,2346,2347,
&end
#
# 150 LEU HA 150 LEU QD2 3.24
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=2345,2346,2347,
&end
#
# 150 LEU HB3 150 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2345,2346,2347,
&end
#
# 149 VAL QG1 150 LEU QD2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2322,2323,2324,
igr2=2345,2346,2347,
&end
#
# 149 VAL HB 150 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2345,2346,2347,
&end
#
# 150 LEU HG 151 PHE QD 5.40
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2359,2367,
&end
#
# 150 LEU HG 188 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2940,2941,2942,
&end
#
# 150 LEU HG 188 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2936,2937,2938,
&end
#
# 152 SER HA 156 GLY HN 4.01
&rst
ixpk= 0, nxpk= 0, iat=2373,2414, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 134 HIS HN 203 PHE HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=2087,3167, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 133 LEU HB2 203 PHE HA 4.84
&rst
ixpk= 0, nxpk= 0, iat=2072,3167, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 151 PHE HN 152 SER HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat=2351,2375, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 152 SER HB2 153 SER HN 4.35
&rst
ixpk= 0, nxpk= 0, iat=2375,2382, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 153 SER HA 155 GLY HN 4.24
&rst
ixpk= 0, nxpk= 0, iat=2384,2407, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 153 SER HA 154 ASN HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=2384,2393, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 153 SER HA 153 SER QB 2.85
&rst
ixpk= 0, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2386,2387,
&end
#
# 153 SER QB 154 ASN HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2386,2387,
&end
#
# 156 GLY HA2 157 VAL HN 3.61
&rst
ixpk= 0, nxpk= 0, iat=2417,2421, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 156 GLY HA1 180 GLU- QG 4.56
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2816,2817,
&end
#
# 156 GLY HA2 180 GLU- QG 5.04
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2816,2817,
&end
#
# 158 VAL HA 176 GLY HN 4.74
&rst
ixpk= 0, nxpk= 0, iat=2439,2760, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 157 VAL HA 157 VAL QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat=2423, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2427,2428,2429,
&end
#
# 157 VAL HA 157 VAL QG2 3.33
&rst
ixpk= 0, nxpk= 0, iat=2423, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2431,2432,2433,
&end
#
# 157 VAL HB 158 VAL HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=2425,2437, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 157 VAL HB 176 GLY HA1 3.82
&rst
ixpk= 0, nxpk= 0, iat=2425,2762, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 157 VAL HB 176 GLY HA2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2425,2763, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 158 VAL HA 158 VAL QG1 3.11
&rst
ixpk= 0, nxpk= 0, iat=2439, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2443,2444,2445,
&end
#
# 151 PHE QB 158 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2355,2356,
igr2=2443,2444,2445,
&end
#
# 158 VAL QG1 175 MET QE 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2443,2444,2445,
igr2=2754,2755,2756,
&end
#
# 159 LYS+ HA 159 LYS+ QG 3.20
&rst
ixpk= 0, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=2460,2461,
&end
#
# 159 LYS+ HB2 160 GLY HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=2457,2475, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 159 LYS+ QD 176 GLY HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2463,2464,
&end
#
# 159 LYS+ QD 174 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2463,2464,
&end
#
# 159 LYS+ QD 176 GLY HA2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2463,2464,
&end
#
# 159 LYS+ QD 176 GLY HA1 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2762, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2463,2464,
&end
#
# 160 GLY HA1 161 PHE QB 4.98
&rst
ixpk= 0, nxpk= 0, iat=2477, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=2486,2487,
&end
#
# 160 GLY HA1 208 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=2477, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=3256,3257,3258,
&end
#
# 160 GLY HA2 161 PHE HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=2478,2484, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 161 PHE HA 162 LYS+ QB 4.56
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2506,2507,
&end
#
# 162 LYS+ QB 208 ILE HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,3245, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2506,2507,
&end
#
# 162 LYS+ QB 208 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2506,2507,
igr2=3249,3250,3251,
&end
#
# 162 LYS+ QB 172 LEU HB3 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2693, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2506,2507,
&end
#
# 162 LYS+ HG2 163 PHE HN 4.37
&rst
ixpk= 0, nxpk= 0, iat=2509,2524, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 162 LYS+ HG2 208 ILE QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=2509, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=3256,3257,3258,
&end
#
# 163 PHE HB2 164 PHE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=2528,2544, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 163 PHE HB3 164 PHE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat=2529,2544, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 163 PHE HB3 171 ALA QB 5.40
&rst
ixpk= 0, nxpk= 0, iat=2529, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2682,2683,2684,
&end
#
# 163 PHE HB2 168 ARG+ HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=2528,2617, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 164 PHE HB3 170 MET HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=2549,2665, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 165 GLN HA 165 GLN QB 3.02
# &rst
# ixpk= 0, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
# igr2=2568,2569,
# &end
#
# 164 PHE QD 165 GLN QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2552,2560,
igr2=2568,2569,
&end
#
# 165 GLN QB 166 LYS+ QG 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2568,2569,
igr2=2588,2589,
&end
#
# 95 ARG+ HB3 98 GLN HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1480,1525, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 165 GLN HA 165 GLN HG3 3.62
&rst
ixpk= 0, nxpk= 0, iat=2566,2572, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 165 GLN HG2 166 LYS+ QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=2571, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2588,2589,
&end
#
# 165 GLN HG3 166 LYS+ QG 4.54
&rst
ixpk= 0, nxpk= 0, iat=2572, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2588,2589,
&end
#
# 165 GLN QB 165 GLN HG2 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2571, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr1=2568,2569,
&end
#
# 165 GLN HG2 165 GLN HE22 4.14
&rst
ixpk= 0, nxpk= 0, iat=2571,2577, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 95 ARG+ HA 95 ARG+ HB2 2.83
&rst
ixpk= 0, nxpk= 0, iat=1477,1479, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 166 LYS+ HB3 166 LYS+ QG 2.81
&rst
ixpk= 0, nxpk= 0, iat=2586, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2=2588,2589,
&end
#
# 166 LYS+ QG 167 ASP- HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2603, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2588,2589,
&end
#
# 166 LYS+ HA 166 LYS+ QG 3.27
&rst
ixpk= 0, nxpk= 0, iat=2583, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=2588,2589,
&end
#
# 166 LYS+ HB2 166 LYS+ QG 3.03
&rst
ixpk= 0, nxpk= 0, iat=2585, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=2588,2589,
&end
#
# 163 PHE QE 168 ARG+ QD 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2534,2538,
igr2=2625,2626,
&end
#
# 168 ARG+ HA 168 ARG+ HG3 4.21
&rst
ixpk= 0, nxpk= 0, iat=2617,2623, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 163 PHE QD 168 ARG+ HG3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2623, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2532,2540,
&end
#
# 168 ARG+ HG3 169 LYS+ HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=2623,2639, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 163 PHE QD 168 ARG+ HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2622, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2532,2540,
&end
#
# 169 LYS+ HB2 170 MET HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=2643,2661, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 167 ASP- HA 169 LYS+ QD 4.75
&rst
ixpk= 0, nxpk= 0, iat=2605, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2649,2650,
&end
#
# 169 LYS+ QG 169 LYS+ QD 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1=2646,2647,
igr2=2649,2650,
&end
#
# 169 LYS+ HA 170 MET HA 4.79
&rst
ixpk= 0, nxpk= 0, iat=2641,2663, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 136 SER HB2 170 MET HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=2127,2663, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 170 MET HB3 170 MET QE 4.64
&rst
ixpk= 0, nxpk= 0, iat=2666, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2672,2673,2674,
&end
#
# 170 MET HB2 170 MET QE 4.62
&rst
ixpk= 0, nxpk= 0, iat=2665, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2672,2673,2674,
&end
#
# 169 LYS+ HN 170 MET QE 4.73
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2672,2673,2674,
&end
#
# 165 GLN HE21 170 MET QE 3.86
&rst
ixpk= 0, nxpk= 0, iat=2576, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2672,2673,2674,
&end
#
# 170 MET HA 170 MET QE 3.86
&rst
ixpk= 0, nxpk= 0, iat=2663, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2672,2673,2674,
&end
#
# 170 MET HG3 170 MET QE 3.39
&rst
ixpk= 0, nxpk= 0, iat=2669, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2672,2673,2674,
&end
#
# 170 MET HG2 170 MET QE 3.37
&rst
ixpk= 0, nxpk= 0, iat=2668, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2672,2673,2674,
&end
#
# 164 PHE HB3 170 MET QE 3.84
&rst
ixpk= 0, nxpk= 0, iat=2549, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2672,2673,2674,
&end
#
# 138 ILE QD1 170 MET QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=2161,2162,2163,
igr2=2672,2673,2674,
&end
#
# 164 PHE QD 170 MET HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2552,2560,
&end
#
# 170 MET HG2 171 ALA HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=2668,2678, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 170 MET HG3 171 ALA HN 4.20
&rst
ixpk= 0, nxpk= 0, iat=2669,2678, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 137 ASN HN 170 MET HG3 4.42
&rst
ixpk= 0, nxpk= 0, iat=2134,2669, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 171 ALA QB 172 LEU HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2688, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2682,2683,2684,
&end
#
# 164 PHE QD 171 ALA QB 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=2552,2560,
igr2=2682,2683,2684,
&end
#
# 135 LEU HN 172 LEU HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=2104,2690, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 172 LEU HB2 172 LEU QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2692, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2701,2702,2703,
&end
#
# 172 LEU HB3 172 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat=2693, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2701,2702,2703,
&end
#
# 172 LEU HB2 173 ILE HN 5.31
&rst
ixpk= 0, nxpk= 0, iat=2692,2707, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 162 LYS+ HN 172 LEU HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat=2502,2692, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 172 LEU HB3 173 ILE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=2693,2707, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 162 LYS+ QB 172 LEU HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2692, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2506,2507,
&end
#
# 132 THR QG2 172 LEU HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2692, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2060,2061,2062,
&end
#
# 161 PHE HA 173 ILE HB 4.68
&rst
ixpk= 0, nxpk= 0, iat=2484,2711, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 161 PHE QB 173 ILE HB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2486,2487,
&end
#
# 161 PHE HA 173 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2720,2721,2722,
&end
#
# 173 ILE HA 173 ILE QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat=2709, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2720,2721,2722,
&end
#
# 151 PHE HA 173 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2720,2721,2722,
&end
#
# 151 PHE QB 173 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2355,2356,
igr2=2720,2721,2722,
&end
#
# 161 PHE QB 173 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2486,2487,
igr2=2720,2721,2722,
&end
#
# 173 ILE QD1 175 MET QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1=2720,2721,2722,
igr2=2754,2755,2756,
&end
#
# 173 ILE HB 173 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat=2711, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2720,2721,2722,
&end
#
# 135 LEU QD2 173 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2117,2118,2119,
igr2=2720,2721,2722,
&end
#
# 133 LEU HN 173 ILE QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2713,2714,2715,
&end
#
# 173 ILE QG2 175 MET HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2743, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2713,2714,2715,
&end
#
# 134 HIS HN 173 ILE QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2713,2714,2715,
&end
#
# 151 PHE QD 173 ILE QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=2359,2367,
igr2=2713,2714,2715,
&end
#
# 173 ILE QG2 175 MET HB2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2747, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2713,2714,2715,
&end
#
# 151 PHE QB 173 ILE QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2355,2356,
igr2=2713,2714,2715,
&end
#
# 173 ILE QG2 173 ILE HG12 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2713,2714,2715,
&end
#
# 135 LEU QD1 173 ILE QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2113,2114,2115,
igr2=2713,2714,2715,
&end
#
# 133 LEU HB3 173 ILE QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=2073, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2713,2714,2715,
&end
#
# 194 GLY HN 198 HIS HA 3.96
&rst
ixpk= 0, nxpk= 0, iat=3025,3080, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 133 LEU HN 174 GLN HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=2068,2728, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 193 LEU QD1 198 HIS HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,3080, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=3015,3016,3017,
&end
#
# 137 ASN HD22 198 HIS HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=2144,3080, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 95 ARG+ HB2 95 ARG+ QD 3.54
&rst
ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1485,1486,
&end
#
# 95 ARG+ HB3 95 ARG+ QD 3.77
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1485,1486,
&end
#
# 95 ARG+ HB3 98 GLN HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1480,1528, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 159 LYS+ HN 175 MET HA 4.08
&rst
ixpk= 0, nxpk= 0, iat=2453,2745, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 175 MET HA 181 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=2745,2824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 158 VAL HN 175 MET HA 5.18
&rst
ixpk= 0, nxpk= 0, iat=2437,2745, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 175 MET HA 176 GLY HA1 4.63
&rst
ixpk= 0, nxpk= 0, iat=2745,2762, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 175 MET HA 176 GLY HA2 5.28
&rst
ixpk= 0, nxpk= 0, iat=2745,2763, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 174 GLN HA 175 MET HA 5.25
&rst
ixpk= 0, nxpk= 0, iat=2728,2745, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 175 MET HA 181 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat=2745, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2828,2829,2830,
&end
#
# 131 ALA QB 175 MET HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=2048,2049,2050,
&end
#
# 158 VAL QG1 175 MET HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2443,2444,2445,
&end
#
# 175 MET HB2 176 GLY HN 4.77
&rst
ixpk= 0, nxpk= 0, iat=2747,2760, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 175 MET HB2 175 MET QE 4.03
&rst
ixpk= 0, nxpk= 0, iat=2747, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2754,2755,2756,
&end
#
# 131 ALA HA 175 MET HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat=2046,2747, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 175 MET HB3 181 ALA HA 4.24
&rst
ixpk= 0, nxpk= 0, iat=2748,2826, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 159 LYS+ HN 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2754,2755,2756,
&end
#
# 175 MET QE 176 GLY HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2754,2755,2756,
&end
#
# 158 VAL HN 175 MET QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2754,2755,2756,
&end
#
# 156 GLY HN 175 MET QE 4.15
&rst
ixpk= 0, nxpk= 0, iat=2414, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=2754,2755,2756,
&end
#
# 152 SER HA 175 MET QE 4.53
&rst
ixpk= 0, nxpk= 0, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2754,2755,2756,
&end
#
# 156 GLY HA2 175 MET QE 3.76
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2754,2755,2756,
&end
#
# 156 GLY HA1 175 MET QE 3.71
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2754,2755,2756,
&end
#
# 151 PHE HA 175 MET QE 4.75
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2754,2755,2756,
&end
#
# 151 PHE QB 175 MET QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2355,2356,
igr2=2754,2755,2756,
&end
#
# 175 MET QE 184 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2754,2755,2756,
igr2=2871,2872,2873,
&end
#
# 173 ILE QG2 175 MET QE 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=2713,2714,2715,
igr2=2754,2755,2756,
&end
#
# 131 ALA QB 175 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2048,2049,2050,
igr2=2754,2755,2756,
&end
#
# 157 VAL QG1 176 GLY HA1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2762, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=2427,2428,2429,
&end
#
# 157 VAL QG2 176 GLY HA1 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2762, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2431,2432,2433,
&end
#
# 157 VAL QG2 176 GLY HA2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2431,2432,2433,
&end
#
# 157 VAL QG1 176 GLY HA2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2427,2428,2429,
&end
#
# 177 SER HB3 178 VAL HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=2772,2778, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 177 SER HB3 179 GLU- HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=2772,2794, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 178 VAL HA 182 VAL HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=2780,2834, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 131 ALA HN 178 VAL HA 4.45
&rst
ixpk= 0, nxpk= 0, iat=2044,2780, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 131 ALA HA 178 VAL HA 3.57
&rst
ixpk= 0, nxpk= 0, iat=2046,2780, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 178 VAL HB 179 GLU- HN 3.84
&rst
ixpk= 0, nxpk= 0, iat=2782,2794, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 178 VAL QG1 179 GLU- HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2784,2785,2786,
&end
#
# 131 ALA HN 178 VAL QG1 3.49
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2784,2785,2786,
&end
#
# 130 SER HA 178 VAL QG1 3.39
&rst
ixpk= 0, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2784,2785,2786,
&end
#
# 131 ALA HA 178 VAL QG1 3.61
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2784,2785,2786,
&end
#
# 178 VAL HA 178 VAL QG1 3.43
&rst
ixpk= 0, nxpk= 0, iat=2780, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2784,2785,2786,
&end
#
# 178 VAL QG2 179 GLU- HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2788,2789,2790,
&end
#
# 178 VAL HA 178 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=2780, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2788,2789,2790,
&end
#
# 179 GLU- HA 182 VAL QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat=2796, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2840,2841,2842,
&end
#
# 178 VAL QG2 179 GLU- HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2798, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2788,2789,2790,
&end
#
# 179 GLU- HB3 182 VAL QG1 5.24
&rst
ixpk= 0, nxpk= 0, iat=2799, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2840,2841,2842,
&end
#
# 178 VAL QG2 179 GLU- HG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2801, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2788,2789,2790,
&end
#
# 178 VAL QG2 179 GLU- HG3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2802, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2788,2789,2790,
&end
#
# 178 VAL QG1 179 GLU- HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2801, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2784,2785,2786,
&end
#
# 179 GLU- HG2 182 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2801, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2840,2841,2842,
&end
#
# 179 GLU- HA 179 GLU- HG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=2796,2801, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 180 GLU- HA 183 GLN HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat=2811,2854, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 177 SER HN 180 GLU- QG 4.54
&rst
ixpk= 0, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2816,2817,
&end
#
# 162 LYS+ HA 163 PHE HN 3.37
&rst
ixpk= 0, nxpk= 0, iat=2504,2524, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 175 MET HB2 181 ALA HA 3.76
&rst
ixpk= 0, nxpk= 0, iat=2747,2826, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 177 SER HN 181 ALA QB 4.23
&rst
ixpk= 0, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2828,2829,2830,
&end
#
# 181 ALA QB 184 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2867, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2828,2829,2830,
&end
#
# 131 ALA HN 181 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=2044, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2828,2829,2830,
&end
#
# 133 LEU HN 181 ALA QB 5.09
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2828,2829,2830,
&end
#
# 178 VAL HN 181 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat=2778, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2828,2829,2830,
&end
#
# 178 VAL HA 181 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat=2780, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2828,2829,2830,
&end
#
# 131 ALA HA 181 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat=2046, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2828,2829,2830,
&end
#
# 131 ALA QB 181 ALA QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2048,2049,2050,
igr2=2828,2829,2830,
&end
#
# 133 LEU QD1 181 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2077,2078,2079,
igr2=2828,2829,2830,
&end
#
# 181 ALA QB 184 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2828,2829,2830,
igr2=2871,2872,2873,
&end
#
# 175 MET HB3 181 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat=2748, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2828,2829,2830,
&end
#
# 173 ILE QG2 181 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1=2713,2714,2715,
igr2=2828,2829,2830,
&end
#
# 181 ALA QB 185 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2828,2829,2830,
igr2=2890,2891,2892,
&end
#
# 182 VAL HA 185 LEU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=2836,2877, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 182 VAL HA 185 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2886,2887,2888,
&end
#
# 182 VAL HA 186 ILE QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2902,2903,2904,
&end
#
# 182 VAL HA 182 VAL QG2 3.65
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2844,2845,2846,
&end
#
# 182 VAL QG1 184 ALA HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2867, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2840,2841,2842,
&end
#
# 181 ALA HN 182 VAL QG1 4.35
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2840,2841,2842,
&end
#
# 182 VAL HA 182 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2840,2841,2842,
&end
#
# 182 VAL QG1 185 LEU QD2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=2840,2841,2842,
igr2=2890,2891,2892,
&end
#
# 182 VAL QG2 185 LEU QD2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1=2844,2845,2846,
igr2=2890,2891,2892,
&end
#
# 183 GLN HA 183 GLN HE22 4.84
&rst
ixpk= 0, nxpk= 0, iat=2852,2863, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 183 GLN HA 183 GLN QG 3.78
&rst
ixpk= 0, nxpk= 0, iat=2852, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2857,2858,
&end
#
# 183 GLN HA 186 ILE QG2 3.73
&rst
ixpk= 0, nxpk= 0, iat=2852, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2902,2903,2904,
&end
#
# 182 VAL QG2 183 GLN HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2852, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2844,2845,2846,
&end
#
# 184 ALA HA 187 ASP- HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2869,2919, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 183 GLN HN 184 ALA QB 4.69
&rst
ixpk= 0, nxpk= 0, iat=2850, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2871,2872,2873,
&end
#
# 182 VAL HN 184 ALA QB 5.26
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=2871,2872,2873,
&end
#
# 151 PHE HA 184 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2871,2872,2873,
&end
#
# 184 ALA QB 185 LEU HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2879, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2871,2872,2873,
&end
#
# 151 PHE QB 184 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2355,2356,
igr2=2871,2872,2873,
&end
#
# 184 ALA QB 188 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=2871,2872,2873,
igr2=2936,2937,2938,
&end
#
# 185 LEU HA 189 HIS HN 4.38
&rst
ixpk= 0, nxpk= 0, iat=2879,2946, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 185 LEU HA 185 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2890,2891,2892,
&end
#
# 185 LEU HA 185 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2886,2887,2888,
&end
#
# 185 LEU HA 201 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=3148,3149,3150,
&end
#
# 185 LEU HA 201 VAL QG1 3.94
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=3144,3145,3146,
&end
#
# 185 LEU HA 201 VAL HB 4.43
&rst
ixpk= 0, nxpk= 0, iat=2879,3142, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 182 VAL HA 185 LEU HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat=2836,2882, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 185 LEU QD1 186 ILE HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2896, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD1 202 SER HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,3156, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD1 189 HIS HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2950, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD1 189 HIS HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2951, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2886,2887,2888,
&end
#
# 185 LEU HB2 185 LEU QD1 3.55
&rst
ixpk= 0, nxpk= 0, iat=2881, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2886,2887,2888,
&end
#
# 185 LEU QD2 202 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,3154, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD2 203 PHE HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD2 202 SER HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,3156, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=2890,2891,2892,
&end
#
# 185 LEU HB2 185 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=2881, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2890,2891,2892,
&end
#
# 185 LEU HB3 185 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat=2882, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2890,2891,2892,
&end
#
# 185 LEU QD2 189 HIS HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2950, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD2 189 HIS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2951, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD2 201 VAL QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2890,2891,2892,
igr2=3148,3149,3150,
&end
#
# 185 LEU QD2 186 ILE QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2890,2891,2892,
igr2=2902,2903,2904,
&end
#
# 185 LEU HG 186 ILE HA 4.17
&rst
ixpk= 0, nxpk= 0, iat=2884,2898, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 185 LEU QD1 186 ILE HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2898, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2886,2887,2888,
&end
#
# 186 ILE HB 187 ASP- HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=2900,2915, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 183 GLN HE22 186 ILE HB 5.37
&rst
ixpk= 0, nxpk= 0, iat=2863,2900, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 183 GLN HA 186 ILE HB 4.63
&rst
ixpk= 0, nxpk= 0, iat=2852,2900, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 185 LEU QD1 186 ILE HB 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2900, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2886,2887,2888,
&end
#
# 183 GLN HE21 186 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat=2862, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2902,2903,2904,
&end
#
# 186 ILE QG2 187 ASP- HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2915, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2902,2903,2904,
&end
#
# 183 GLN HE22 186 ILE QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=2863, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=2902,2903,2904,
&end
#
# 186 ILE HA 186 ILE QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat=2898, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2902,2903,2904,
&end
#
# 182 VAL QG2 186 ILE QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2844,2845,2846,
igr2=2902,2903,2904,
&end
#
# 182 VAL HB 186 ILE QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2838, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2902,2903,2904,
&end
#
# 187 ASP- HA 188 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat=2917, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2936,2937,2938,
&end
#
# 187 ASP- HB2 188 LEU QD2 5.22
&rst
ixpk= 0, nxpk= 0, iat=2919, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2940,2941,2942,
&end
#
# 150 LEU HN 188 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2936,2937,2938,
&end
#
# 188 LEU QD1 191 HIS HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2981, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2936,2937,2938,
&end
#
# 188 LEU HA 188 LEU QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat=2929, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2936,2937,2938,
&end
#
# 184 ALA HA 188 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat=2869, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2936,2937,2938,
&end
#
# 188 LEU QD1 191 HIS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2979, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2936,2937,2938,
&end
#
# 150 LEU HA 188 LEU QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2936,2937,2938,
&end
#
# 187 ASP- HB2 188 LEU QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=2919, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2936,2937,2938,
&end
#
# 188 LEU QD1 191 HIS HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2982, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2936,2937,2938,
&end
#
# 188 LEU HB2 188 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat=2931, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2936,2937,2938,
&end
#
# 188 LEU HB3 188 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat=2932, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2936,2937,2938,
&end
#
# 150 LEU QD2 188 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2345,2346,2347,
igr2=2936,2937,2938,
&end
#
# 150 LEU HN 188 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2940,2941,2942,
&end
#
# 184 ALA HA 188 LEU QD2 4.35
&rst
ixpk= 0, nxpk= 0, iat=2869, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2940,2941,2942,
&end
#
# 188 LEU HA 188 LEU QD2 4.05
&rst
ixpk= 0, nxpk= 0, iat=2929, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2940,2941,2942,
&end
#
# 150 LEU HA 188 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat=2334, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2940,2941,2942,
&end
#
# 151 PHE QB 188 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2355,2356,
igr2=2940,2941,2942,
&end
#
# 184 ALA QB 188 LEU QD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2871,2872,2873,
igr2=2940,2941,2942,
&end
#
# 188 LEU HB3 188 LEU QD2 3.59
&rst
ixpk= 0, nxpk= 0, iat=2932, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2940,2941,2942,
&end
#
# 150 LEU QD2 188 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2345,2346,2347,
igr2=2940,2941,2942,
&end
#
# 150 LEU QD1 188 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2341,2342,2343,
igr2=2940,2941,2942,
&end
#
# 187 ASP- HB2 188 LEU HG 5.74
&rst
ixpk= 0, nxpk= 0, iat=2919,2934, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 189 HIS HB2 201 VAL HB 5.13
# &rst
# ixpk= 0, nxpk= 0, iat=2950,3142, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 190 ASN HB2 190 ASN HD21 4.04
&rst
ixpk= 0, nxpk= 0, iat=2967,2972, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 188 LEU HA 191 HIS HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat=2929,2982, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 191 HIS HB2 199 LEU HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat=2981,3099, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 191 HIS HB3 199 LEU HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat=2982,3099, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 191 HIS HB3 199 LEU QD2 4.60
&rst
ixpk= 0, nxpk= 0, iat=2982, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=3108,3109,3110,
&end
#
# 191 HIS HB2 199 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=2981, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=3108,3109,3110,
&end
#
# 191 HIS HB3 193 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=2982, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=3015,3016,3017,
&end
#
# 188 LEU QD2 191 HIS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2981, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2940,2941,2942,
&end
#
# 191 HIS HB2 199 LEU HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat=2981,3100, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 192 ASP- HA 199 LEU HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=2996,3095, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 192 ASP- HA 198 HIS HD2 5.12
&rst
ixpk= 0, nxpk= 0, iat=2996,3091, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 192 ASP- HA 198 HIS HA 4.01
&rst
ixpk= 0, nxpk= 0, iat=2996,3080, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 192 ASP- HA 193 LEU HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat=2996,3010, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 192 ASP- HA 198 HIS HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat=2996,3082, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 192 ASP- HB2 193 LEU HN 4.91
&rst
ixpk= 0, nxpk= 0, iat=2998,3006, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 191 HIS HD2 193 LEU HA 4.55
&rst
ixpk= 0, nxpk= 0, iat=2990,3008, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 193 LEU QD1 199 LEU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,3095, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3015,3016,3017,
&end
#
# 193 LEU QD1 194 GLY HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=3015,3016,3017,
&end
#
# 191 HIS HD2 193 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat=2990, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=3015,3016,3017,
&end
#
# 193 LEU QD1 198 HIS HD2 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,3091, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=3015,3016,3017,
&end
#
# 191 HIS HB2 193 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=2981, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=3015,3016,3017,
&end
#
# 193 LEU HA 193 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat=3008, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=3015,3016,3017,
&end
#
# 193 LEU QD1 199 LEU HA 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,3097, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=3015,3016,3017,
&end
#
# 193 LEU HB2 193 LEU QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat=3010, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=3015,3016,3017,
&end
#
# 65 GLN HA 65 GLN QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 988, 989,
&end
#
# 195 GLU- HA 195 GLU- QG 3.26
&rst
ixpk= 0, nxpk= 0, iat=3034, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=3039,3040,
&end
#
# 194 GLY HA2 195 GLU- QG 4.43
&rst
ixpk= 0, nxpk= 0, iat=3028, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=3039,3040,
&end
#
# 194 GLY HA1 195 GLU- QG 4.30
&rst
ixpk= 0, nxpk= 0, iat=3027, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=3039,3040,
&end
#
# 195 GLU- HB3 195 GLU- QG 2.93
&rst
ixpk= 0, nxpk= 0, iat=3037, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2=3039,3040,
&end
#
# 196 ASN HB2 197 HIS HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=3051,3061, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 196 ASN HB3 196 ASN HD21 3.52
&rst
ixpk= 0, nxpk= 0, iat=3052,3056, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 196 ASN HB3 196 ASN HD22 3.79
&rst
ixpk= 0, nxpk= 0, iat=3052,3057, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 195 GLU- QG 196 ASN HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,3052, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=3039,3040,
&end
#
# 137 ASN HD22 197 HIS HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat=2144,3065, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 137 ASN HD22 197 HIS HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat=2144,3066, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 137 ASN HD22 197 HIS HA 4.32
&rst
ixpk= 0, nxpk= 0, iat=2144,3063, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 190 ASN HN 199 LEU HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat=2963,3099, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 199 LEU HB2 199 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=3099, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=3108,3109,3110,
&end
#
# 133 LEU QD1 175 MET HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2743, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2077,2078,2079,
&end
#
# 133 LEU QD1 181 ALA HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2826, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2077,2078,2079,
&end
#
# 188 LEU QD2 199 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2940,2941,2942,
igr2=3108,3109,3110,
&end
#
# 134 HIS HN 201 VAL HA 4.49
&rst
ixpk= 0, nxpk= 0, iat=2087,3140, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 200 ARG+ HN 201 VAL HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=3114,3140, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 201 VAL HA 202 SER HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=3140,3156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 201 VAL HA 201 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat=3140, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=3144,3145,3146,
&end
#
# 201 VAL HA 201 VAL QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat=3140, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=3148,3149,3150,
&end
#
# 135 LEU QD1 201 VAL HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,3140, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2113,2114,2115,
&end
#
# 201 VAL HA 202 SER HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat=3140,3159, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 189 HIS HN 201 VAL HB 4.86
&rst
ixpk= 0, nxpk= 0, iat=2946,3142, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 190 ASN HN 201 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2963,3142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 201 VAL HB 202 SER HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=3142,3156, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 185 LEU QD2 201 VAL HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,3142, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2890,2891,2892,
&end
#
# 189 HIS HN 201 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2946, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=3148,3149,3150,
&end
#
# 202 SER HB3 203 PHE HN 3.71
&rst
ixpk= 0, nxpk= 0, iat=3159,3165, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 202 SER HB3 203 PHE HA 4.40
&rst
ixpk= 0, nxpk= 0, iat=3159,3167, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 134 HIS HB3 202 SER HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat=2092,3159, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 134 HIS HB2 202 SER HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat=2091,3159, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 134 HIS HB2 202 SER HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat=2091,3158, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 203 PHE HB2 204 SER HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=3169,3185, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 134 HIS HN 204 SER HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat=2087,3189, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 204 SER HB2 205 LYS+ HN 5.01
&rst
ixpk= 0, nxpk= 0, iat=3189,3196, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 134 HIS HB3 204 SER HB2 4.95
&rst
ixpk= 0, nxpk= 0, iat=2092,3189, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 134 HIS HB3 204 SER HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=2092,3190, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 134 HIS HB2 204 SER HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat=2091,3189, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 134 HIS HB2 204 SER HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat=2091,3190, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 132 THR QG2 204 SER HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,3189, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=2060,2061,2062,
&end
#
# 172 LEU QD1 204 SER HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,3189, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2697,2698,2699,
&end
#
# 172 LEU QD1 204 SER HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,3190, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2697,2698,2699,
&end
#
# 132 THR QG2 204 SER HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,3190, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=2060,2061,2062,
&end
#
# 172 LEU QD2 204 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3189, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2701,2702,2703,
&end
#
# 172 LEU QD2 204 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3190, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2701,2702,2703,
&end
#
# 205 LYS+ HA 205 LYS+ HB3 2.86
&rst
ixpk= 0, nxpk= 0, iat=3198,3201, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 127 PHE QE 205 LYS+ HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,3200, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1995,1999,
&end
#
# 127 PHE QE 205 LYS+ HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,3201, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1995,1999,
&end
#
# 206 SER HA 207 THR QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat=3220, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=3235,3236,3237,
&end
#
# 172 LEU QD2 206 SER HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,3220, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2701,2702,2703,
&end
#
# 15 VAL HB 86 SER HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 186,1333, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 208 ILE HA 208 ILE HG12 3.56
&rst
ixpk= 0, nxpk= 0, iat=3245,3253, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 172 LEU QD2 206 SER HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,3222, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2701,2702,2703,
&end
#
# 208 ILE HA 208 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat=3245, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=3249,3250,3251,
&end
#
# 207 THR HA 208 ILE HN 2.99
&rst
ixpk= 0, nxpk= 0, iat=3231,3243, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 207 THR HA 208 ILE HG12 4.32
&rst
ixpk= 0, nxpk= 0, iat=3231,3253, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 132 THR QG2 207 THR HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,3231, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2060,2061,2062,
&end
#
# 207 THR HB 208 ILE HN 3.14
&rst
ixpk= 0, nxpk= 0, iat=3233,3243, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 207 THR HB 208 ILE HA 4.32
&rst
ixpk= 0, nxpk= 0, iat=3233,3245, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 207 THR HA 207 THR HB 3.02
&rst
ixpk= 0, nxpk= 0, iat=3231,3233, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 207 THR QG2 208 ILE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,3243, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=3235,3236,3237,
&end
#
# 207 THR HA 207 THR QG2 2.99
&rst
ixpk= 0, nxpk= 0, iat=3231, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=3235,3236,3237,
&end
#
# 208 ILE HB 208 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat=3247, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=3256,3257,3258,
&end
#
# 162 LYS+ HN 208 ILE QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=3256,3257,3258,
&end
#
# 174 GLN HN 208 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=3256,3257,3258,
&end
#
# 161 PHE HN 208 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=3256,3257,3258,
&end
#
# 175 MET HN 208 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=2743, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=3256,3257,3258,
&end
#
# 160 GLY HN 208 ILE QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=3256,3257,3258,
&end
#
# 172 LEU HA 208 ILE QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat=2690, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=3256,3257,3258,
&end
#
# 161 PHE HA 208 ILE QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=3256,3257,3258,
&end
#
# 173 ILE HA 208 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=2709, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=3256,3257,3258,
&end
#
# 207 THR HA 208 ILE QD1 5.45
&rst
ixpk= 0, nxpk= 0, iat=3231, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=3256,3257,3258,
&end
#
# 160 GLY HA2 208 ILE QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=3256,3257,3258,
&end
#
# 208 ILE HA 208 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=3245, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=3256,3257,3258,
&end
#
# 161 PHE QB 208 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2486,2487,
igr2=3256,3257,3258,
&end
#
# 174 GLN HG2 208 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=2733, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=3256,3257,3258,
&end
#
# 174 GLN HG3 208 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat=2734, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=3256,3257,3258,
&end
#
# 162 LYS+ QB 208 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=2506,2507,
igr2=3256,3257,3258,
&end
#
# 132 THR QG2 208 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2060,2061,2062,
igr2=3256,3257,3258,
&end
#
# 208 ILE HA 208 ILE HG13 3.81
&rst
ixpk= 0, nxpk= 0, iat=3245,3254, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 207 THR HB 208 ILE HG13 5.41
&rst
ixpk= 0, nxpk= 0, iat=3233,3254, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 161 PHE HN 208 ILE QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=2482, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=3249,3250,3251,
&end
#
# 160 GLY HA2 208 ILE QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=3249,3250,3251,
&end
#
# 160 GLY HA1 208 ILE QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat=2477, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=3249,3250,3251,
&end
#
# 162 LYS+ HA 208 ILE QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2504, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=3249,3250,3251,
&end
#
# 161 PHE HA 208 ILE QG2 4.91
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=3249,3250,3251,
&end
#
# 47 LEU HN 47 LEU HG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 709, 716, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 85 LEU HB3 86 SER HN 3.52
&rst
ixpk= 0, nxpk= 0, iat=1314,1328, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 188 LEU HN 188 LEU QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat=2927, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2940,2941,2942,
&end
#
# 13 ASN QB 87 LYS+ HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1341, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 161, 162,
&end
#
# 22 ASN HB2 26 VAL HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 300, 363, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 21 LEU QD2 26 VAL HB 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 290, 291, 292,
&end
#
# 161 PHE HA 162 LYS+ HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat=2484,2510, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 25 ARG+ HA 27 THR QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 385, 386, 387,
&end
#
# 30 SER HA 33 ILE HB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 426, 478, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 34 LEU QD2 76 LEU HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 506, 507, 508,
&end
#
# 38 TYR HB3 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 560, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 41 VAL HA 42 GLN HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 597, 615, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 43 ARG+ QD 44 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 638, 639,
&end
#
# 43 ARG+ QD 91 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 638, 639,
igr2=1419,1420,1421,
&end
#
# 43 ARG+ HA 107 TYR HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 630,1656, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 41 VAL QG1 43 ARG+ HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 601, 602, 603,
&end
#
# 43 ARG+ QB 93 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 632, 633,
igr2=1451,1452,1453,
&end
#
# 45 LYS+ HD3 46 ILE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 679, 690, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 47 LEU QD1 54 ALA HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 718, 719, 720,
&end
#
# 48 PHE QB 103 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 732, 733,
igr2=1602,1603,1604,
&end
#
# 60 ASP- HB3 64 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat= 929, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 978, 979, 980,
&end
#
# 64 ALA QB 65 GLN HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 978, 979, 980,
&end
#
# 68 MET HA 83 ILE HB 3.94
&rst
ixpk= 0, nxpk= 0, iat=1032,1280, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 35 PHE QE 71 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 522, 526,
igr2=1084,1085,1086,
&end
#
# 71 LEU QD2 72 ASN HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1088,1089,1090,
&end
#
# 75 LYS+ HB3 79 LYS+ QE 5.01
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1210,1211,
&end
#
# 34 LEU QD2 76 LEU HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 506, 507, 508,
&end
#
# 76 LEU HB3 76 LEU QD2 3.03
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1167,1168,1169,
&end
#
# 154 ASN HA 155 GLY HA1 4.55
&rst
ixpk= 0, nxpk= 0, iat=2395,2409, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 60 ASP- HB3 61 GLY HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 929, 936, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 75 LYS+ HA 81 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1246,1247,1248,
&end
#
# 75 LYS+ HA 81 ILE QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1239,1240,1241,
&end
#
# 17 LEU HA 17 LEU QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 226, 227, 228,
&end
#
# 72 ASN HD21 83 ILE QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1282,1283,1284,
&end
#
# 72 ASN HD22 83 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1282,1283,1284,
&end
#
# 134 HIS HN 135 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2113,2114,2115,
&end
#
# 93 LEU QD1 106 ASP- HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1451,1452,1453,
&end
#
# 93 LEU QD2 106 ASP- HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1455,1456,1457,
&end
#
# 97 GLY HA1 98 GLN HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1516,1528, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 98 GLN HA 98 GLN HG2 3.08
&rst
ixpk= 0, nxpk= 0, iat=1523,1528, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 150 LEU HB2 151 PHE QE 4.38
&rst
ixpk= 0, nxpk= 0, iat=2336, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2361,2365,
&end
#
# 104 THR HA 105 LYS+ HA 5.09
&rst
ixpk= 0, nxpk= 0, iat=1610,1624, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 93 LEU QD1 104 THR HB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1612, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1451,1452,1453,
&end
#
# 104 THR QG2 105 LYS+ HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1614,1615,1616,
&end
#
# 105 LYS+ HB2 107 TYR HN 5.06
&rst
ixpk= 0, nxpk= 0, iat=1626,1656, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 112 LEU HA 113 HIS HD2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1725,1755, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 125 ASN HB3 126 ILE HN 3.64
&rst
ixpk= 0, nxpk= 0, iat=1957,1966, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 126 ILE QD1 127 PHE HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1985, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1979,1980,1981,
&end
#
# 131 ALA HA 175 MET HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=2046,2743, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 130 SER HB3 131 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat=2038, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2048,2049,2050,
&end
#
# 132 THR HA 174 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2056,2731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 SER HA 170 MET HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat=2125,2666, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 136 SER HA 171 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2682,2683,2684,
&end
#
# 137 ASN HB3 138 ILE QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat=2139, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2154,2155,2156,
&end
#
# 137 ASN HD21 138 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2154,2155,2156,
&end
#
# 138 ILE QG2 170 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2663, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2154,2155,2156,
&end
#
# 149 VAL QG1 153 SER QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2322,2323,2324,
igr2=2386,2387,
&end
#
# 144 GLU- HA 147 LEU HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat=2235,2279, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 144 GLU- HA 147 LEU HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat=2235,2280, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 146 ASP- HA 149 VAL HN 3.68
&rst
ixpk= 0, nxpk= 0, iat=2265,2316, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 147 LEU HB3 147 LEU QD2 2.96
&rst
ixpk= 0, nxpk= 0, iat=2280, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2288,2289,2290,
&end
#
# 149 VAL QG1 153 SER HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2322,2323,2324,
&end
#
# 150 LEU QD1 151 PHE QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2341,2342,2343,
igr2=2361,2365,
&end
#
# 152 SER HA 158 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat=2373, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2443,2444,2445,
&end
#
# 156 GLY HA2 157 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat=2417, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2427,2428,2429,
&end
#
# 158 VAL HA 158 VAL QG2 3.26
&rst
ixpk= 0, nxpk= 0, iat=2439, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2447,2448,2449,
&end
#
# 159 LYS+ QG 160 GLY HA2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2478, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2460,2461,
&end
#
# 159 LYS+ HB3 160 GLY HA1 5.34
&rst
ixpk= 0, nxpk= 0, iat=2458,2477, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 159 LYS+ HB3 160 GLY HA2 5.45
&rst
ixpk= 0, nxpk= 0, iat=2458,2478, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 162 LYS+ QB 164 PHE HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2544, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2506,2507,
&end
#
# 133 LEU HB2 173 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2713,2714,2715,
&end
#
# 174 GLN HB3 175 MET HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=2731,2745, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 130 SER HA 181 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2035, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2828,2829,2830,
&end
#
# 175 MET QG 181 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2750,2751,
igr2=2828,2829,2830,
&end
#
# 181 ALA HA 182 VAL HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=2826,2836, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 181 ALA QB 182 VAL HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2836, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2828,2829,2830,
&end
#
# 154 ASN HD21 184 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2402, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2871,2872,2873,
&end
#
# 175 MET HB2 184 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat=2747, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2871,2872,2873,
&end
#
# 189 HIS HB3 201 VAL HB 5.22
&rst
ixpk= 0, nxpk= 0, iat=2951,3142, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 133 LEU HB2 201 VAL HA 4.69
&rst
ixpk= 0, nxpk= 0, iat=2072,3140, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 134 HIS HA 204 SER HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat=2089,3189, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 172 LEU QD2 206 SER HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,3223, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=2701,2702,2703,
&end
#
# 172 LEU QD2 207 THR HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,3231, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2701,2702,2703,
&end
#
# 174 GLN HB3 208 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat=2731, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=3256,3257,3258,
&end
#
# 11 ALA QB 13 ASN QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 144, 145, 146,
igr2= 161, 162,
&end
#
# 13 ASN QB 85 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 161, 162,
igr2=1322,1323,1324,
&end
#
# 13 ASN QB 87 LYS+ HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 161, 162,
&end
#
# 14 SER HB2 58 MET HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= 175, 897, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 15 VAL QG1 88 HIS HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 188, 189, 190,
&end
#
# 17 LEU QD1 19 SER QB 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 226, 227, 228,
igr2= 256, 257,
&end
#
# 55 LEU QD1 57 GLN HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 854, 855, 856,
&end
#
# 18 VAL HA 83 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1289,1290,1291,
&end
#
# 18 VAL QG1 35 PHE QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 242, 243, 244,
igr2= 522, 526,
&end
#
# 18 VAL QG2 35 PHE QE 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 246, 247, 248,
igr2= 522, 526,
&end
#
# 20 ASN HB2 81 ILE HB 5.02
&rst
ixpk= 0, nxpk= 0, iat= 267,1237, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 24 GLU- HB2 25 ARG+ HG3 4.84
&rst
ixpk= 0, nxpk= 0, iat= 328, 347, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 22 ASN HD22 25 ARG+ HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 306, 346, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 21 LEU QD2 26 VAL QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 290, 291, 292,
igr2= 369, 370, 371,
&end
#
# 27 THR QG2 29 GLN HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 407, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 385, 386, 387,
&end
#
# 29 GLN HA 33 ILE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 409, 474, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 30 SER HA 34 LEU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 426, 493, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 31 LEU QD1 35 PHE QD 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 444, 445, 446,
igr2= 520, 528,
&end
#
# 31 LEU QD1 35 PHE HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 444, 445, 446,
&end
#
# 31 LEU QD2 46 ILE HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 448, 449, 450,
&end
#
# 32 PHE HA 41 VAL QG1 3.62
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 601, 602, 603,
&end
#
# 66 LEU QD1 70 HIS HD2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1010,1011,1012,
&end
#
# 34 LEU QD2 35 PHE QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 506, 507, 508,
igr2= 520, 528,
&end
#
# 34 LEU HA 37 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 549, 550, 551,
&end
#
# 42 GLN HB2 43 ARG+ QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 632, 633,
&end
#
# 43 ARG+ QG 107 TYR HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 635, 636,
&end
#
# 44 VAL QG1 107 TYR QE 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 658, 659, 660,
igr2=1666,1671,
&end
#
# 45 LYS+ HA 103 LEU QD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1602,1603,1604,
&end
#
# 45 LYS+ HD2 46 ILE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 678, 690, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 21 LEU QB 52 GLU- HG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 813, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 281, 282,
&end
#
# 46 ILE HA 54 ALA QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 839, 840, 841,
&end
#
# 35 PHE QE 58 MET QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 522, 526,
igr2= 908, 909, 910,
&end
#
# 36 GLY HA1 58 MET QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 908, 909, 910,
&end
#
# 40 ASP- HN 59 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 918, 919, 920,
&end
#
# 14 SER HN 60 ASP- HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 171, 928, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 60 ASP- HB3 63 GLN HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= 929, 957, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 35 PHE HA 67 ALA HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 514,1022, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 66 LEU HB2 67 ALA HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=1005,1022, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 LEU QD1 67 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 207, 208, 209,
igr2=1024,1025,1026,
&end
#
# 68 MET QE 85 LEU QD2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1041,1042,1043,
igr2=1322,1323,1324,
&end
#
# 69 SER HA 72 ASN HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat=1049,1098, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 69 SER HA 72 ASN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1049,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 LEU QD1 69 SER QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1010,1011,1012,
igr2=1051,1052,
&end
#
# 66 LEU HB3 69 SER QB 4.49
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1051,1052,
&end
#
# 68 MET HB3 71 LEU QD2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1088,1089,1090,
&end
#
# 62 ASN HB3 62 ASN HD21 3.81
&rst
ixpk= 0, nxpk= 0, iat= 948, 952, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 74 HIS HA 75 LYS+ HN 3.33
&rst
ixpk= 0, nxpk= 0, iat=1117,1132, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 75 LYS+ HB2 75 LYS+ HD2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1136,1142, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 75 LYS+ HA 75 LYS+ HD3 4.04
&rst
ixpk= 0, nxpk= 0, iat=1134,1143, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 22 ASN HD21 77 HIS QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1177,1178,
&end
#
# 22 ASN HD22 77 HIS QB 5.48
&rst
ixpk= 0, nxpk= 0, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1177,1178,
&end
#
# 78 GLY HA2 79 LYS+ QE 5.23
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1210,1211,
&end
#
# 79 LYS+ HA 79 LYS+ QE 4.21
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1210,1211,
&end
#
# 75 LYS+ HA 79 LYS+ QE 3.70
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1210,1211,
&end
#
# 74 HIS HB3 81 ILE QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1246,1247,1248,
&end
#
# 72 ASN HA 82 ARG+ HA 4.38
&rst
ixpk= 0, nxpk= 0, iat=1096,1254, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 95 ARG+ QG 98 GLN HG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1482,1483,
&end
#
# 17 LEU QD2 83 ILE HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 230, 231, 232,
&end
#
# 83 ILE QD1 84 THR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1289,1290,1291,
&end
#
# 17 LEU HN 83 ILE QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1282,1283,1284,
&end
#
# 83 ILE QG2 85 LEU HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1282,1283,1284,
&end
#
# 35 PHE QD 83 ILE QG2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 520, 528,
igr2=1282,1283,1284,
&end
#
# 84 THR HB 85 LEU HB2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1299,1313, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 43 ARG+ HN 91 VAL QG1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1415,1416,1417,
&end
#
# 92 GLN HA 93 LEU HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat=1427,1447, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 135 LEU QD1 202 SER HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,3154, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2113,2114,2115,
&end
#
# 96 GLU- HA 98 GLN HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1501,1521, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 48 PHE HN 103 LEU HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= 728,1591, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 48 PHE QB 103 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 732, 733,
igr2=1598,1599,1600,
&end
#
# 103 LEU HN 104 THR HB 5.10
&rst
ixpk= 0, nxpk= 0, iat=1589,1612, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 45 LYS+ HD2 104 THR HB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 678,1612, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 110 SER HB3 112 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1703, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1732,1733,1734,
&end
#
# 112 LEU QB 113 HIS HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1755, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1727,1728,
&end
#
# 112 LEU HA 112 LEU QD2 3.15
&rst
ixpk= 0, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1736,1737,1738,
&end
#
# 43 ARG+ QD 91 VAL HB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1413, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 638, 639,
&end
#
# 130 SER HB3 131 ALA HN 3.69
&rst
ixpk= 0, nxpk= 0, iat=2038,2044, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 126 ILE HA 127 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1968,1987, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 126 ILE HA 126 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1979,1980,1981,
&end
#
# 127 PHE HA 127 PHE QE 4.19
&rst
ixpk= 0, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1995,1999,
&end
#
# 47 LEU HG 55 LEU HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 716, 845, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 136 SER HB2 137 ASN HN 3.82
&rst
ixpk= 0, nxpk= 0, iat=2127,2134, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 136 SER HB2 170 MET QE 4.59
&rst
ixpk= 0, nxpk= 0, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2672,2673,2674,
&end
#
# 136 SER HB2 200 ARG+ HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat=2127,3118, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 136 SER HB3 200 ARG+ HB2 4.29
&rst
ixpk= 0, nxpk= 0, iat=2128,3118, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 138 ILE HA 142 VAL HN 5.08
&rst
ixpk= 0, nxpk= 0, iat=2150,2206, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 138 ILE QD1 161 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2161,2162,2163,
&end
#
# 138 ILE QD1 161 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2161,2162,2163,
igr2=2492,2496,
&end
#
# 137 ASN HA 138 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2161,2162,2163,
&end
#
# 138 ILE QG2 163 PHE QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2154,2155,2156,
igr2=2534,2538,
&end
#
# 142 VAL HA 146 ASP- QB 4.31
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2267,2268,
&end
#
# 145 GLU- QB 147 LEU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2275, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=2252,2253,
&end
#
# 145 GLU- HA 148 LYS+ QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2301,2302,
&end
#
# 145 GLU- HA 148 LYS+ HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat=2250,2299, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 145 GLU- HG2 146 ASP- HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=2255,2263, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 145 GLU- HG3 146 ASP- HN 4.48
&rst
ixpk= 0, nxpk= 0, iat=2256,2263, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 145 GLU- HG3 149 VAL QG1 4.24
&rst
ixpk= 0, nxpk= 0, iat=2256, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=2322,2323,2324,
&end
#
# 147 LEU QD2 163 PHE QE 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2288,2289,2290,
igr2=2534,2538,
&end
#
# 147 LEU QD2 163 PHE HZ 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2288,2289,2290,
&end
#
# 147 LEU QD2 161 PHE HZ 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=2288,2289,2290,
&end
#
# 148 LYS+ HA 173 ILE QD1 4.25
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2720,2721,2722,
&end
#
# 148 LYS+ HB2 161 PHE QB 4.12
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2486,2487,
&end
#
# 149 VAL QG2 150 LEU HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2332, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2326,2327,2328,
&end
#
# 150 LEU HA 153 SER HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=2334,2382, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 150 LEU QD2 153 SER QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2345,2346,2347,
igr2=2386,2387,
&end
#
# 157 VAL HN 158 VAL QG1 3.34
&rst
ixpk= 0, nxpk= 0, iat=2421, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2443,2444,2445,
&end
#
# 156 GLY HA1 158 VAL QG1 3.68
&rst
ixpk= 0, nxpk= 0, iat=2416, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2443,2444,2445,
&end
#
# 159 LYS+ HA 159 LYS+ QD 2.80
&rst
ixpk= 0, nxpk= 0, iat=2455, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2463,2464,
&end
#
# 160 GLY HA2 161 PHE QB 4.72
&rst
ixpk= 0, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2486,2487,
&end
#
# 161 PHE QD 162 LYS+ QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2490,2498,
igr2=2506,2507,
&end
#
# 183 GLN QG 184 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2857,2858,
igr2=2871,2872,2873,
&end
#
# 137 ASN HN 170 MET HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=2134,2663, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 136 SER HB3 170 MET HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=2128,2663, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 164 PHE QD 170 MET QE 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2552,2560,
igr2=2672,2673,2674,
&end
#
# 164 PHE HA 170 MET QE 4.65
&rst
ixpk= 0, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2672,2673,2674,
&end
#
# 167 ASP- HB3 170 MET QE 3.37
&rst
ixpk= 0, nxpk= 0, iat=2608, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2672,2673,2674,
&end
#
# 167 ASP- HB2 170 MET QE 3.50
&rst
ixpk= 0, nxpk= 0, iat=2607, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2672,2673,2674,
&end
#
# 137 ASN HN 170 MET HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2134,2668, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 136 SER HB3 170 MET HG2 4.24
&rst
ixpk= 0, nxpk= 0, iat=2128,2668, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 136 SER HB2 170 MET HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=2127,2668, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 162 LYS+ HN 171 ALA QB 4.73
&rst
ixpk= 0, nxpk= 0, iat=2502, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2682,2683,2684,
&end
#
# 134 HIS HD2 172 LEU HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=2100,2690, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 161 PHE QE 173 ILE HB 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2492,2496,
&end
#
# 148 LYS+ HN 173 ILE QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2720,2721,2722,
&end
#
# 148 LYS+ HB2 173 ILE QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2720,2721,2722,
&end
#
# 151 PHE HN 173 ILE QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2713,2714,2715,
&end
#
# 161 PHE QD 173 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2490,2498,
igr2=2713,2714,2715,
&end
#
# 161 PHE QE 173 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2492,2496,
igr2=2713,2714,2715,
&end
#
# 173 ILE QG2 174 GLN HA 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2728, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2713,2714,2715,
&end
#
# 173 ILE QG2 181 ALA HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2826, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2713,2714,2715,
&end
#
# 175 MET QE 181 ALA HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=2754,2755,2756,
&end
#
# 131 ALA QB 176 GLY HA1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2762, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2048,2049,2050,
&end
#
# 177 SER HB3 180 GLU- HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=2772,2809, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 178 VAL QG2 182 VAL HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2838, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2788,2789,2790,
&end
#
# 179 GLU- HA 179 GLU- HG3 3.71
&rst
ixpk= 0, nxpk= 0, iat=2796,2802, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 46 ILE HA 47 LEU HG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 692, 716, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 162 LYS+ HA 163 PHE HB3 4.73
# &rst
# ixpk= 0, nxpk= 0, iat=2504,2529, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 177 SER HA 181 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat=2769, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2828,2829,2830,
&end
#
# 133 LEU HA 181 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2828,2829,2830,
&end
#
# 151 PHE QE 184 ALA QB 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2361,2365,
igr2=2871,2872,2873,
&end
#
# 184 ALA QB 188 LEU HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2927, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2871,2872,2873,
&end
#
# 185 LEU QD1 201 VAL QG2 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2886,2887,2888,
igr2=3148,3149,3150,
&end
#
# 133 LEU HB2 185 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2890,2891,2892,
&end
#
# 185 LEU HG 186 ILE HB 4.44
&rst
ixpk= 0, nxpk= 0, iat=2884,2900, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 182 VAL HN 186 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2902,2903,2904,
&end
#
# 151 PHE QD 188 LEU HB2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2931, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2359,2367,
&end
#
# 151 PHE QE 188 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=2361,2365,
igr2=2936,2937,2938,
&end
#
# 151 PHE QD 188 LEU QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2359,2367,
igr2=2936,2937,2938,
&end
#
# 151 PHE HA 188 LEU QD2 3.65
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2940,2941,2942,
&end
#
# 125 ASN HB3 126 ILE HG13 4.66
&rst
ixpk= 0, nxpk= 0, iat=1957,1977, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 192 ASP- HA 193 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=3015,3016,3017,
&end
#
# 62 ASN HA 65 GLN QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 988, 989,
&end
#
# 193 LEU QD2 195 GLU- QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=3019,3020,3021,
igr2=3039,3040,
&end
#
# 197 HIS HA 198 HIS HD2 4.43
&rst
ixpk= 0, nxpk= 0, iat=3063,3091, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 190 ASN HN 198 HIS HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat=2963,3083, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 151 PHE QE 199 LEU QD2 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2361,2365,
igr2=3108,3109,3110,
&end
#
# 133 LEU QD1 185 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1=2077,2078,2079,
igr2=2890,2891,2892,
&end
#
# 185 LEU HN 201 VAL QG2 4.26
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=3148,3149,3150,
&end
#
# 132 THR QG2 208 ILE HB 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,3247, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=2060,2061,2062,
&end
#
# 159 LYS+ HN 208 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=3256,3257,3258,
&end
#
# 207 THR HB 208 ILE HG12 4.79
&rst
ixpk= 0, nxpk= 0, iat=3233,3253, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 207 THR HA 208 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat=3231,3254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 ARG+ HN 25 ARG+ HG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 339, 346, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 31 LEU HN 31 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 444, 445, 446,
&end
#
# 52 GLU- HN 52 GLU- HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 806, 813, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 55 LEU HN 55 LEU QD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 858, 859, 860,
&end
#
# 92 GLN HN 92 GLN QG 3.34
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1432,1433,
&end
#
# 147 LEU QD1 151 PHE QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2284,2285,2286,
igr2=2361,2365,
&end
#
# 168 ARG+ HN 168 ARG+ QD 4.27
&rst
ixpk= 0, nxpk= 0, iat=2615, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2625,2626,
&end
#
# 25 ARG+ HN 25 ARG+ HD3 4.38
&rst
ixpk= 0, nxpk= 0, iat= 339, 350, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 58 MET HN 58 MET QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 908, 909, 910,
&end
#
# 145 GLU- HG3 149 VAL HN 3.80
&rst
ixpk= 0, nxpk= 0, iat=2256,2316, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 17 LEU QD2 53 ASN QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 230, 231, 232,
igr2= 830, 831,
&end
#
# 22 ASN HD22 25 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306, 350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 VAL HA 27 THR QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 385, 386, 387,
&end
#
# 21 LEU QD2 26 VAL HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 290, 291, 292,
&end
#
# 21 LEU QD1 26 VAL QG1 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 286, 287, 288,
igr2= 369, 370, 371,
&end
#
# 26 VAL HN 27 THR QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 385, 386, 387,
&end
#
# 29 GLN HG2 30 SER HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 414, 426, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 26 VAL HA 31 LEU QD2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 448, 449, 450,
&end
#
# 32 PHE HB3 41 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 601, 602, 603,
&end
#
# 32 PHE HN 33 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 480, 481, 482,
&end
#
# 34 LEU HA 34 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 502, 503, 504,
&end
#
# 35 PHE HB2 67 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1024,1025,1026,
&end
#
# 34 LEU HB3 38 TYR HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 498, 560, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 27 THR HN 46 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 703, 704, 705,
&end
#
# 44 VAL HB 56 VAL QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 874, 875, 876,
&end
#
# 42 GLN HN 58 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 908, 909, 910,
&end
#
# 41 VAL HA 58 MET QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 908, 909, 910,
&end
#
# 39 GLY QA 58 MET QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 578, 579,
igr2= 908, 909, 910,
&end
#
# 42 GLN HN 59 ALA QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 918, 919, 920,
&end
#
# 59 ALA QB 63 GLN HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 918, 919, 920,
&end
#
# 67 ALA HA 68 MET HA 5.31
&rst
ixpk= 0, nxpk= 0, iat=1022,1032, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 66 LEU QD2 67 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1014,1015,1016,
&end
#
# 35 PHE HN 71 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1088,1089,1090,
&end
#
# 76 LEU HB2 81 ILE QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1239,1240,1241,
&end
#
# 76 LEU QD2 77 HIS HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1167,1168,1169,
&end
#
# 34 LEU HN 76 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1167,1168,1169,
&end
#
# 188 LEU HA 191 HIS HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat=2929,2981, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 91 VAL QG2 92 GLN HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1419,1420,1421,
&end
#
# 93 LEU HA 104 THR QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1614,1615,1616,
&end
#
# 96 GLU- HA 96 GLU- QG 3.11
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1506,1507,
&end
#
# 96 GLU- QB 97 GLY HA2 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1503,1504,
&end
#
# 149 VAL HN 150 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2316,2336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE HN 103 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1598,1599,1600,
&end
#
# 103 LEU HA 103 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1602,1603,1604,
&end
#
# 134 HIS HB2 172 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2697,2698,2699,
&end
#
# 93 LEU HA 104 THR HB 4.81
&rst
ixpk= 0, nxpk= 0, iat=1444,1612, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 200 ARG+ HN 201 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat=3114, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=3144,3145,3146,
&end
#
# 93 LEU QD1 106 ASP- HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1451,1452,1453,
&end
#
# 123 PHE HA 126 ILE QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1972,1973,1974,
&end
#
# 127 PHE HB3 205 LYS+ HB3 4.68
&rst
ixpk= 0, nxpk= 0, iat=1990,3201, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 126 ILE HN 127 PHE HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1966,1989, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 131 ALA QB 175 MET HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2743, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2048,2049,2050,
&end
#
# 131 ALA QB 174 GLN HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2731, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2048,2049,2050,
&end
#
# 135 LEU HA 173 ILE QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2713,2714,2715,
&end
#
# 138 ILE QD1 147 LEU QD2 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=2161,2162,2163,
igr2=2288,2289,2290,
&end
#
# 138 ILE QG2 147 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2154,2155,2156,
igr2=2288,2289,2290,
&end
#
# 149 VAL HA 149 VAL QG1 3.03
&rst
ixpk= 0, nxpk= 0, iat=2318, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=2322,2323,2324,
&end
#
# 142 VAL QG1 143 SER HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2212,2213,2214,
&end
#
# 145 GLU- HG2 149 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2255, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2326,2327,2328,
&end
#
# 149 VAL HA 152 SER HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=2318,2376, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 149 VAL QG1 150 LEU HA 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2334, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=2322,2323,2324,
&end
#
# 133 LEU HA 135 LEU QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2113,2114,2115,
&end
#
# 159 LYS+ QG 160 GLY HA1 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2477, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2460,2461,
&end
#
# 164 PHE HN 170 MET QE 4.69
&rst
ixpk= 0, nxpk= 0, iat=2544, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2672,2673,2674,
&end
#
# 163 PHE HB2 171 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=2528, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2682,2683,2684,
&end
#
# 157 VAL QG2 175 MET HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2431,2432,2433,
&end
#
# 178 VAL QG2 183 GLN HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2850, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2788,2789,2790,
&end
#
# 178 VAL HN 179 GLU- HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat=2778,2798, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 185 LEU QD1 189 HIS HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2946, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD1 189 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2886,2887,2888,
&end
#
# 185 LEU QD2 203 PHE HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,3167, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2890,2891,2892,
&end
#
# 185 LEU HG 189 HIS HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=2884,2946, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 185 LEU HG 186 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat=2884, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2902,2903,2904,
&end
#
# 193 LEU QD2 197 HIS HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,3065, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=3019,3020,3021,
&end
#
# 193 LEU QD2 197 HIS HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,3066, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=3019,3020,3021,
&end
#
# 190 ASN HA 198 HIS HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat=2965,3082, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 193 LEU QD1 199 LEU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,3100, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=3015,3016,3017,
&end
#
# 185 LEU QD2 202 SER HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,3158, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2890,2891,2892,
&end
#
# 185 LEU QD2 202 SER HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,3159, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=2890,2891,2892,
&end
#
# 134 HIS HA 204 SER HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat=2089,3190, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 127 PHE QD 205 LYS+ HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,3200, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1993,2001,
&end
#
# 12 GLY QA 85 LEU QD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 152, 153,
igr2=1322,1323,1324,
&end
#
# 14 SER HB3 58 MET HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 176, 897, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 15 VAL QG1 58 MET HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 188, 189, 190,
&end
#
# 17 LEU HB2 18 VAL HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 221, 236, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 20 ASN HB3 82 ARG+ HG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 268,1259, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 22 ASN HB2 79 LYS+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300,1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 180 GLU- QG 184 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2816,2817,
igr2=2871,2872,2873,
&end
#
# 21 LEU HN 26 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 373, 374, 375,
&end
#
# 27 THR HB 29 GLN HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 383, 407, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 27 THR QG2 30 SER QB 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 385, 386, 387,
igr2= 428, 429,
&end
#
# 27 THR QG2 29 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 385, 386, 387,
&end
#
# 29 GLN HG3 30 SER HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 415, 426, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 27 THR HA 31 LEU QD2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2= 448, 449, 450,
&end
#
# 31 LEU QD2 46 ILE HG13 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1= 448, 449, 450,
&end
#
# 33 ILE HA 36 GLY HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 476, 532, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 34 LEU QD2 76 LEU HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 506, 507, 508,
&end
#
# 35 PHE HA 37 VAL HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 514, 539, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 35 PHE HA 38 TYR QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 563, 572,
&end
#
# 35 PHE HA 67 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1024,1025,1026,
&end
#
# 37 VAL HA 115 PHE QD 5.05
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1791,1799,
&end
#
# 37 VAL HA 115 PHE QE 5.21
&rst
ixpk= 0, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1793,1797,
&end
#
# 36 GLY HN 37 VAL QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 549, 550, 551,
&end
#
# 44 VAL HA 45 LYS+ HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 654, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 LYS+ QE 91 VAL QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 681, 682,
igr2=1419,1420,1421,
&end
#
# 16 LEU HB3 56 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 203, 868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 58 MET QE 60 ASP- HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 908, 909, 910,
&end
#
# 35 PHE HB3 58 MET QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 908, 909, 910,
&end
#
# 41 VAL QG1 58 MET QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 601, 602, 603,
igr2= 908, 909, 910,
&end
#
# 58 MET QE 63 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 908, 909, 910,
&end
#
# 66 LEU HA 70 HIS HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=1003,1058, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 66 LEU QD2 71 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1014,1015,1016,
igr2=1088,1089,1090,
&end
#
# 66 LEU HB2 67 ALA QB 4.34
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1024,1025,1026,
&end
#
# 175 MET QE 180 GLU- QG 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=2754,2755,2756,
igr2=2816,2817,
&end
#
# 69 SER HA 71 LEU HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=1049,1075, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 34 LEU QD2 71 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 506, 507, 508,
igr2=1088,1089,1090,
&end
#
# 74 HIS HA 75 LYS+ HD2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1117,1142, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 34 LEU QD2 76 LEU QD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 506, 507, 508,
igr2=1167,1168,1169,
&end
#
# 22 ASN HD22 79 LYS+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 306,1208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU QD2 84 THR HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 230, 231, 232,
&end
#
# 74 HIS HB2 75 LYS+ HD2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1119,1142, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 91 VAL HA 92 GLN HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1411,1427, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 93 LEU QD2 106 ASP- HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1455,1456,1457,
&end
#
# 36 GLY HA2 41 VAL HB 3.14
&rst
ixpk= 0, nxpk= 0, iat= 535, 599, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 48 PHE QE 103 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 738, 742,
igr2=1598,1599,1600,
&end
#
# 46 ILE HB 104 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 694,1610, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 LYS+ HA 105 LYS+ HB2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 670,1626, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 112 LEU QD2 113 HIS HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1736,1737,1738,
&end
#
# 48 PHE HZ 49 ASN QB 5.47
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 752, 753,
&end
#
# 127 PHE HB2 205 LYS+ HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat=1989,3201, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 134 HIS HB2 201 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2091, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3148,3149,3150,
&end
#
# 135 LEU HA 199 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=3104,3105,3106,
&end
#
# 134 HIS HA 135 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=2089, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2117,2118,2119,
&end
#
# 134 HIS HE1 202 SER HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat=2097,3158, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 105 LYS+ QD 106 ASP- HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1644, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1632,1633,
&end
#
# 143 SER HN 146 ASP- HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=2222,2265, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 146 ASP- HA 149 VAL QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat=2265, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2326,2327,2328,
&end
#
# 164 PHE HB2 168 ARG+ QD 5.15
&rst
ixpk= 0, nxpk= 0, iat=2548, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2625,2626,
&end
#
# 169 LYS+ QD 170 MET HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2649,2650,
&end
#
# 169 LYS+ QG 170 MET QE 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2646,2647,
igr2=2672,2673,2674,
&end
#
# 159 LYS+ HN 173 ILE QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2720,2721,2722,
&end
#
# 131 ALA QB 176 GLY HA2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2048,2049,2050,
&end
#
# 176 GLY HN 181 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat=2760, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2828,2829,2830,
&end
#
# 133 LEU QD1 184 ALA QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2077,2078,2079,
igr2=2871,2872,2873,
&end
#
# 182 VAL HA 185 LEU QD2 3.86
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=2890,2891,2892,
&end
#
# 151 PHE HA 188 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2936,2937,2938,
&end
#
# 195 GLU- HA 196 ASN HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat=3034,3052, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 132 THR QG2 207 THR HB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,3233, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2060,2061,2062,
&end
#
# 182 VAL QG1 183 GLN HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2854, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2840,2841,2842,
&end
#
# 161 PHE QD 161 PHE HZ 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2494, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=2490,2498,
&end
#
# 130 SER HN 131 ALA HN 4.22
&rst
ixpk= 0, nxpk= 0, iat=2033,2044, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 151 PHE HN 151 PHE QD 4.01
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2359,2367,
&end
#
# 32 PHE QD 32 PHE HZ 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 462, 470,
&end
#
# 115 PHE QD 115 PHE HZ 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1791,1799,
&end
#
# 161 PHE QE 163 PHE QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=2492,2496,
igr2=2532,2540,
&end
#
# 161 PHE QE 163 PHE QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2492,2496,
igr2=2534,2538,
&end
#
# 161 PHE HZ 163 PHE QE 3.90
&rst
ixpk= 0, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2534,2538,
&end
#
# 161 PHE HZ 163 PHE HZ 4.14
&rst
ixpk= 0, nxpk= 0, iat=2494,2536, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 32 PHE QE 107 TYR QD 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 464, 468,
igr2=1664,1673,
&end
#
# 32 PHE QE 107 TYR QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 464, 468,
igr2=1666,1671,
&end
#
# 38 TYR QE 70 HIS HD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 565, 570,
&end
#
# 32 PHE QD 107 TYR QD 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 462, 470,
igr2=1664,1673,
&end
#
# 37 VAL HN 38 TYR QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 563, 572,
&end
#
# 186 ILE HN 187 ASP- HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=2896,2915, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 42 GLN HN 58 MET HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 611, 899, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 164 PHE QE 172 LEU HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2690, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2554,2558,
&end
#
# 19 SER HN 83 ILE HA 4.24
&rst
ixpk= 0, nxpk= 0, iat= 252,1278, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 83 ILE HA 84 THR HN 3.55
&rst
ixpk= 0, nxpk= 0, iat=1278,1295, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 54 ALA HA 55 LEU HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 837, 845, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 127 PHE HA 127 PHE QD 3.11
&rst
ixpk= 0, nxpk= 0, iat=1987, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1993,2001,
&end
#
# 44 VAL HA 45 LYS+ HN 3.57
&rst
ixpk= 0, nxpk= 0, iat= 654, 668, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 44 VAL HA 57 GLN HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 654, 880, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 134 HIS HA 134 HIS HD2 3.57
&rst
ixpk= 0, nxpk= 0, iat=2089,2100, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 203 PHE HA 203 PHE QD 3.13
&rst
ixpk= 0, nxpk= 0, iat=3167, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=3173,3181,
&end
#
# 161 PHE HA 161 PHE QD 3.53
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2490,2498,
&end
#
# 161 PHE HA 174 GLN HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=2484,2726, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 16 LEU HN 57 GLN HA 3.82
&rst
ixpk= 0, nxpk= 0, iat= 198, 882, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 163 PHE QD 171 ALA HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2680, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2532,2540,
&end
#
# 163 PHE HA 163 PHE QD 4.08
&rst
ixpk= 0, nxpk= 0, iat=2526, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2532,2540,
&end
#
# 113 HIS HA 113 HIS HD2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1744,1755, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 17 LEU HN 85 LEU HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= 217,1311, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 56 VAL HA 57 GLN HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 866, 880, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 115 PHE HA 115 PHE QD 3.52
&rst
ixpk= 0, nxpk= 0, iat=1785, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1791,1799,
&end
#
# 194 GLY HA1 196 ASN HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=3027,3047, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 141 SER HN 142 VAL HA 4.25
&rst
ixpk= 0, nxpk= 0, iat=2195,2208, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 177 SER HB2 179 GLU- HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=2771,2794, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 164 PHE HA 164 PHE QD 3.49
&rst
ixpk= 0, nxpk= 0, iat=2546, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2552,2560,
&end
#
# 71 LEU HA 74 HIS HD2 3.18
&rst
ixpk= 0, nxpk= 0, iat=1077,1128, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 38 TYR HA 38 TYR QD 3.40
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 563, 572,
&end
#
# 46 ILE HA 55 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 692, 845, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 184 ALA HA 187 ASP- HN 3.77
&rst
ixpk= 0, nxpk= 0, iat=2869,2915, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 29 GLN HA 32 PHE QD 3.86
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 462, 470,
&end
#
# 48 PHE HA 48 PHE QD 3.36
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 736, 744,
&end
#
# 163 PHE QD 168 ARG+ HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=2532,2540,
&end
#
# 131 ALA HA 177 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=2046,2767, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 SER HN 130 SER HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=2033,2037, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 180 GLU- HA 183 GLN HN 3.97
&rst
ixpk= 0, nxpk= 0, iat=2811,2850, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 30 SER QB 31 LEU HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 428, 429,
&end
#
# 127 PHE QE 205 LYS+ HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,3198, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1995,1999,
&end
#
# 25 ARG+ HN 26 VAL HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 339, 365, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 110 SER HB2 112 LEU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat=1702,1723, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 34 LEU HA 37 VAL HN 3.66
&rst
ixpk= 0, nxpk= 0, iat= 495, 539, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 34 LEU HA 38 TYR QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 563, 572,
&end
#
# 20 ASN HB2 82 ARG+ HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 267,1252, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 183 GLN HA 186 ILE HN 4.15
&rst
ixpk= 0, nxpk= 0, iat=2852,2896, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 32 PHE HA 32 PHE QD 3.68
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 462, 470,
&end
#
# 19 SER HN 19 SER QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 256, 257,
&end
#
# 151 PHE HA 151 PHE QD 3.88
&rst
ixpk= 0, nxpk= 0, iat=2353, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=2359,2367,
&end
#
# 151 PHE HA 152 SER HN 3.49
&rst
ixpk= 0, nxpk= 0, iat=2353,2371, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 145 GLU- HA 147 LEU HN 4.31
&rst
ixpk= 0, nxpk= 0, iat=2250,2275, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 148 LYS+ HA 151 PHE QD 4.08
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2359,2367,
&end
#
# 194 GLY HA2 198 HIS HD2 3.93
&rst
ixpk= 0, nxpk= 0, iat=3028,3091, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 178 VAL HA 181 ALA HN 3.73
&rst
ixpk= 0, nxpk= 0, iat=2780,2824, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 38 TYR QD 67 ALA HA 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 563, 572,
&end
#
# 32 PHE QD 33 ILE HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 462, 470,
&end
#
# 32 PHE QE 33 ILE HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 464, 468,
&end
#
# 197 HIS HB2 197 HIS HD2 3.54
&rst
ixpk= 0, nxpk= 0, iat=3065,3074, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 43 ARG+ HN 43 ARG+ QD 4.48
&rst
ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 638, 639,
&end
#
# 113 HIS HN 113 HIS HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1742,1746, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 35 PHE HN 35 PHE HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 512, 516, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 197 HIS HB3 197 HIS HD2 3.63
&rst
ixpk= 0, nxpk= 0, iat=3066,3074, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 189 HIS HB2 189 HIS HD2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2950,2959, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 74 HIS HB2 74 HIS HD2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1119,1128, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 38 TYR HB2 67 ALA HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 559,1020, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 77 HIS QB 77 HIS HD2 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=1177,1178,
&end
#
# 32 PHE HN 32 PHE HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 454, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 144 GLU- HA 147 LEU HN 4.01
&rst
ixpk= 0, nxpk= 0, iat=2235,2275, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 144 GLU- HA 163 PHE QE 3.95
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2534,2538,
&end
#
# 144 GLU- HA 163 PHE HZ 3.73
&rst
ixpk= 0, nxpk= 0, iat=2235,2536, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 189 HIS HB3 189 HIS HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2951,2959, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 151 PHE HN 151 PHE QB 3.62
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=2355,2356,
&end
#
# 74 HIS HB3 74 HIS HD2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1120,1128, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 191 HIS HB3 191 HIS HD2 3.62
&rst
ixpk= 0, nxpk= 0, iat=2982,2990, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 163 PHE QD 168 ARG+ QD 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2532,2540,
igr2=2625,2626,
&end
#
# 32 PHE HN 32 PHE HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 187 ASP- HB2 188 LEU HN 4.18
&rst
ixpk= 0, nxpk= 0, iat=2919,2927, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 125 ASN HB2 125 ASN HD21 4.12
&rst
ixpk= 0, nxpk= 0, iat=1956,1961, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 187 ASP- HN 187 ASP- HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=2915,2919, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 22 ASN HB3 25 ARG+ HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 301, 339, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 35 PHE HN 35 PHE HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 512, 517, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 35 PHE HB3 36 GLY HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= 517, 532, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 167 ASP- HB2 168 ARG+ HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=2607,2615, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 134 HIS HB3 134 HIS HD2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2092,2100, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 193 LEU HN 198 HIS HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat=3006,3083, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 146 ASP- QB 147 LEU HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2275, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=2267,2268,
&end
#
# 183 GLN QG 184 ALA HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2867, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2857,2858,
&end
#
# 29 GLN HB2 30 SER HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 411, 424, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 20 ASN HB3 82 ARG+ HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 268,1252, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 164 PHE QD 170 MET HG3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2552,2560,
&end
#
# 58 MET HN 58 MET HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 897, 902, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 182 VAL HN 182 VAL HB 3.35
&rst
ixpk= 0, nxpk= 0, iat=2834,2838, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 68 MET HN 68 MET HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1030,1034, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 182 VAL HB 183 GLN HN 3.79
&rst
ixpk= 0, nxpk= 0, iat=2838,2850, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 174 GLN HG3 175 MET HN 4.27
&rst
ixpk= 0, nxpk= 0, iat=2734,2743, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 175 MET HN 175 MET QE 4.43
&rst
ixpk= 0, nxpk= 0, iat=2743, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2754,2755,2756,
&end
#
# 151 PHE QD 175 MET QE 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2359,2367,
igr2=2754,2755,2756,
&end
#
# 33 ILE HN 33 ILE HB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 149 VAL HB 150 LEU HN 3.37
&rst
ixpk= 0, nxpk= 0, iat=2320,2332, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 32 PHE QD 33 ILE HB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 462, 470,
&end
#
# 31 LEU HN 31 LEU HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 31 LEU HB2 35 PHE QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 439, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 520, 528,
&end
#
# 101 GLN QB 102 GLY HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1582, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1569,1570,
&end
#
# 34 LEU HN 34 LEU HB2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 34 LEU HB2 36 GLY HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 497, 532, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 166 LYS+ HB2 167 ASP- HN 4.24
&rst
ixpk= 0, nxpk= 0, iat=2585,2603, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 52 GLU- HB3 53 ASN HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 811, 821, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 57 GLN HN 57 GLN HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 880, 884, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 24 GLU- HN 24 GLU- HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 70 HIS HB3 70 HIS HD2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1063,1071, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 181 ALA HN 181 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=2828,2829,2830,
&end
#
# 144 GLU- HB2 163 PHE QD 4.35
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2532,2540,
&end
#
# 57 GLN HN 57 GLN HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= 880, 885, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 181 ALA QB 182 VAL HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2834, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2828,2829,2830,
&end
#
# 43 ARG+ HN 57 GLN HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 628, 885, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 17 LEU HN 17 LEU HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 217, 221, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 164 PHE QE 170 MET QE 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2554,2558,
igr2=2672,2673,2674,
&end
#
# 185 LEU HN 185 LEU HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat=2877,2881, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 185 LEU HB2 186 ILE HN 3.94
&rst
ixpk= 0, nxpk= 0, iat=2881,2896, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 66 LEU HB2 67 ALA HN 3.53
&rst
ixpk= 0, nxpk= 0, iat=1005,1020, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 31 LEU HG 32 PHE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 35 PHE QD 58 MET QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 520, 528,
igr2= 908, 909, 910,
&end
#
# 31 LEU HN 31 LEU HG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 435, 442, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 190 ASN HB3 190 ASN HD22 4.06
&rst
ixpk= 0, nxpk= 0, iat=2968,2973, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 150 LEU HB2 151 PHE HN 3.77
&rst
ixpk= 0, nxpk= 0, iat=2336,2351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 148 LYS+ HB2 161 PHE QD 3.83
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2490,2498,
&end
#
# 159 LYS+ HB2 174 GLN HE22 4.15
&rst
ixpk= 0, nxpk= 0, iat=2457,2739, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 82 ARG+ HN 82 ARG+ HB2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1252,1256, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 112 LEU QB 113 HIS HN 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1742, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1727,1728,
&end
#
# 37 VAL HB 38 TYR HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 543, 555, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 144 GLU- HB3 163 PHE QE 3.55
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2534,2538,
&end
#
# 148 LYS+ HB3 161 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2490,2498,
&end
#
# 160 GLY HN 174 GLN HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=2475,2731, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 16 LEU HN 16 LEU HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 170 MET HB2 171 ALA HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=2665,2678, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 150 LEU HB3 151 PHE HN 3.71
&rst
ixpk= 0, nxpk= 0, iat=2337,2351, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 184 ALA QB 185 LEU HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2877, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2871,2872,2873,
&end
#
# 184 ALA HN 184 ALA QB 3.43
&rst
ixpk= 0, nxpk= 0, iat=2867, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2871,2872,2873,
&end
#
# 164 PHE QD 170 MET HB2 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2552,2560,
&end
#
# 164 PHE QE 170 MET HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2554,2558,
&end
#
# 151 PHE QD 184 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2359,2367,
igr2=2871,2872,2873,
&end
#
# 95 ARG+ HB3 98 GLN HN 4.28
&rst
ixpk= 0, nxpk= 0, iat=1480,1521, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 34 LEU HN 34 LEU HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 42 GLN HB3 43 ARG+ HN 3.55
&rst
ixpk= 0, nxpk= 0, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 45 LYS+ HN 45 LYS+ HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 55 LEU HN 55 LEU HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 45 LYS+ HB2 46 ILE HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 672, 690, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 71 LEU HB2 72 ASN HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=1079,1094, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 161 PHE QD 173 ILE HG12 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=2490,2498,
&end
#
# 67 ALA HN 67 ALA QB 3.33
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1024,1025,1026,
&end
#
# 14 SER HN 64 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 978, 979, 980,
&end
#
# 35 PHE QD 67 ALA QB 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 520, 528,
igr2=1024,1025,1026,
&end
#
# 35 PHE QE 67 ALA QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 522, 526,
igr2=1024,1025,1026,
&end
#
# 38 TYR QD 67 ALA QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 563, 572,
igr2=1024,1025,1026,
&end
#
# 45 LYS+ HN 45 LYS+ HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= 668, 673, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 67 ALA QB 68 MET HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1024,1025,1026,
&end
#
# 185 LEU HN 185 LEU HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=2877,2882, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 185 LEU HB3 186 ILE HN 3.89
&rst
ixpk= 0, nxpk= 0, iat=2882,2896, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 164 PHE QD 170 MET HB3 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2666, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2552,2560,
&end
#
# 17 LEU HN 17 LEU HG 4.43
&rst
ixpk= 0, nxpk= 0, iat= 217, 224, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 184 ALA HN 185 LEU HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat=2867,2882, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 164 PHE QE 170 MET HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2666, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2554,2558,
&end
#
# 115 PHE QE 117 LYS+ QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1793,1797,
igr2=1832,1833,
&end
#
# 164 PHE QD 172 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2552,2560,
&end
#
# 164 PHE QE 172 LEU HG 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2695, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=2554,2558,
&end
#
# 148 LYS+ QG 161 PHE QD 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2301,2302,
igr2=2490,2498,
&end
#
# 148 LYS+ HN 148 LYS+ QG 3.79
&rst
ixpk= 0, nxpk= 0, iat=2294, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2301,2302,
&end
#
# 45 LYS+ HN 56 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 870, 871, 872,
&end
#
# 31 LEU QD2 55 LEU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 448, 449, 450,
&end
#
# 16 LEU HN 56 VAL QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 870, 871, 872,
&end
#
# 31 LEU QD2 32 PHE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 448, 449, 450,
&end
#
# 56 VAL HN 56 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 870, 871, 872,
&end
#
# 172 LEU QD2 173 ILE HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2701,2702,2703,
&end
#
# 185 LEU HN 185 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=2886,2887,2888,
&end
#
# 173 ILE HN 173 ILE QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2713,2714,2715,
&end
#
# 173 ILE QG2 174 GLN HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2713,2714,2715,
&end
#
# 151 PHE HN 173 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2720,2721,2722,
&end
#
# 45 LYS+ HN 56 VAL QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 874, 875, 876,
&end
#
# 56 VAL HN 56 VAL QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 874, 875, 876,
&end
#
# 188 LEU HN 188 LEU QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=2927, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2936,2937,2938,
&end
#
# 172 LEU QD2 206 SER HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,3218, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=2701,2702,2703,
&end
#
# 18 VAL HN 18 VAL QG1 4.22
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 242, 243, 244,
&end
#
# 17 LEU QD1 18 VAL HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 226, 227, 228,
&end
#
# 17 LEU QD2 18 VAL HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 236, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 230, 231, 232,
&end
#
# 18 VAL QG1 19 SER HN 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 242, 243, 244,
&end
#
# 189 HIS HN 201 VAL QG1 4.06
&rst
ixpk= 0, nxpk= 0, iat=2946, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=3144,3145,3146,
&end
#
# 44 VAL HN 44 VAL QG1 3.73
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 658, 659, 660,
&end
#
# 135 LEU QD2 151 PHE QE 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2117,2118,2119,
igr2=2361,2365,
&end
#
# 150 LEU HN 150 LEU QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2341,2342,2343,
&end
#
# 76 LEU QD2 77 HIS HE1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1167,1168,1169,
&end
#
# 150 LEU HN 150 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat=2332, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2345,2346,2347,
&end
#
# 151 PHE QE 173 ILE QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2361,2365,
igr2=2713,2714,2715,
&end
#
# 35 PHE QD 56 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 520, 528,
igr2= 874, 875, 876,
&end
#
# 37 VAL QG2 38 TYR HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 549, 550, 551,
&end
#
# 76 LEU QD2 77 HIS HD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1167,1168,1169,
&end
#
# 164 PHE QD 172 LEU QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2552,2560,
igr2=2701,2702,2703,
&end
#
# 151 PHE QD 173 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2359,2367,
igr2=2720,2721,2722,
&end
#
# 35 PHE QE 56 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 522, 526,
igr2= 874, 875, 876,
&end
#
# 37 VAL HN 37 VAL QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 549, 550, 551,
&end
#
# 150 LEU QD1 191 HIS HD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2990, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=2341,2342,2343,
&end
#
# 161 PHE QD 208 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2490,2498,
igr2=3256,3257,3258,
&end
#
# 161 PHE QD 173 ILE QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2490,2498,
igr2=2720,2721,2722,
&end
#
# 37 VAL QG2 38 TYR QD 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 549, 550, 551,
igr2= 563, 572,
&end
#
# 188 LEU QD1 191 HIS HD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2990, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2936,2937,2938,
&end
#
# 71 LEU QD1 74 HIS HD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1084,1085,1086,
&end
#
# 38 TYR QD 71 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 563, 572,
igr2=1084,1085,1086,
&end
#
# 138 ILE QD1 163 PHE QE 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2161,2162,2163,
igr2=2534,2538,
&end
#
# 163 PHE QE 171 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=2534,2538,
igr2=2682,2683,2684,
&end
#
# 185 LEU HN 185 LEU QD2 4.03
&rst
ixpk= 0, nxpk= 0, iat=2877, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=2890,2891,2892,
&end
#
# 71 LEU HN 71 LEU QD2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1088,1089,1090,
&end
#
# 35 PHE QD 71 LEU QD2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 520, 528,
igr2=1088,1089,1090,
&end
#
# 35 PHE QE 71 LEU QD2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 522, 526,
igr2=1088,1089,1090,
&end
#
# 38 TYR QD 71 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 563, 572,
igr2=1088,1089,1090,
&end
#
# 151 PHE HN 188 LEU QD2 4.21
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2940,2941,2942,
&end
#
# 151 PHE QE 188 LEU QD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=2361,2365,
igr2=2940,2941,2942,
&end
#
# 151 PHE QD 188 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2359,2367,
igr2=2940,2941,2942,
&end
#
# 34 LEU QD1 38 TYR QD 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 502, 503, 504,
igr2= 563, 572,
&end
#
# 34 LEU QD1 38 TYR QE 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 502, 503, 504,
igr2= 565, 570,
&end
#
# 38 TYR QE 71 LEU QD1 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 565, 570,
igr2=1084,1085,1086,
&end
#
# 37 VAL QG2 38 TYR QE 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 549, 550, 551,
igr2= 565, 570,
&end
#
# 38 TYR QE 71 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 565, 570,
igr2=1088,1089,1090,
&end
#
# 135 LEU QD2 161 PHE QD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2117,2118,2119,
igr2=2490,2498,
&end
#
# 161 PHE QE 171 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2492,2496,
igr2=2682,2683,2684,
&end
#
# 135 LEU QD2 161 PHE QE 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2117,2118,2119,
igr2=2492,2496,
&end
#
# 161 PHE QE 173 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2492,2496,
igr2=2720,2721,2722,
&end
#
# 172 LEU HA 172 LEU QD2 3.63
&rst
ixpk= 0, nxpk= 0, iat=2690, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=2701,2702,2703,
&end
#
# 172 LEU HA 173 ILE QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat=2690, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2713,2714,2715,
&end
#
# 55 LEU HA 56 VAL QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 874, 875, 876,
&end
#
# 135 LEU HA 135 LEU QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2117,2118,2119,
&end
#
# 138 ILE QD1 170 MET HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2663, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2161,2162,2163,
&end
#
# 55 LEU HA 55 LEU QD2 3.85
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 858, 859, 860,
&end
#
# 161 PHE HZ 171 ALA QB 3.90
&rst
ixpk= 0, nxpk= 0, iat=2494, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2682,2683,2684,
&end
#
# 105 LYS+ HB2 107 TYR QE 3.58
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1666,1671,
&end
#
# 44 VAL HB 107 TYR QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1664,1673,
&end
#
# 44 VAL HB 107 TYR QE 3.34
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1666,1671,
&end
#
# 144 GLU- HB2 161 PHE QE 4.23
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=2492,2496,
&end
#
# 107 TYR QD 110 SER HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1703, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1664,1673,
&end
#
# 175 MET HA 175 MET QG 3.77
&rst
ixpk= 0, nxpk= 0, iat=2745, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2750,2751,
&end
#
# 175 MET HA 175 MET QE 3.50
&rst
ixpk= 0, nxpk= 0, iat=2745, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2754,2755,2756,
&end
#
# 144 GLU- HA 161 PHE HZ 4.32
&rst
ixpk= 0, nxpk= 0, iat=2235,2494, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 144 GLU- HA 161 PHE QE 3.75
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2=2492,2496,
&end
#
# 107 TYR HA 107 TYR QD 3.22
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1664,1673,
&end
#
# 38 TYR QE 71 LEU HA 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 565, 570,
&end
#
# 107 TYR QD 110 SER HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1702, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1664,1673,
&end
#
# 34 LEU HA 38 TYR QE 4.12
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 565, 570,
&end
#
# 43 ARG+ HA 107 TYR QD 3.68
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1664,1673,
&end
#
# 106 ASP- HA 107 TYR QD 4.33
&rst
ixpk= 0, nxpk= 0, iat=1646, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1664,1673,
&end
#
# 35 PHE HN 35 PHE QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 520, 528,
&end
#
# 35 PHE HN 36 GLY HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 512, 532, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 181 ALA HN 182 VAL HN 3.73
&rst
ixpk= 0, nxpk= 0, iat=2824,2834, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 34 LEU HN 35 PHE HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 493, 512, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 182 VAL HN 183 GLN HN 3.84
&rst
ixpk= 0, nxpk= 0, iat=2834,2850, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 164 PHE QD 171 ALA HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2678, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2552,2560,
&end
#
# 31 LEU HN 32 PHE HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 435, 454, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 32 PHE HN 32 PHE QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 462, 470,
&end
#
# 150 LEU HN 151 PHE HN 4.06
&rst
ixpk= 0, nxpk= 0, iat=2332,2351, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 185 LEU HN 186 ILE HN 3.78
&rst
ixpk= 0, nxpk= 0, iat=2877,2896, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 183 GLN HN 184 ALA HN 3.84
&rst
ixpk= 0, nxpk= 0, iat=2850,2867, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 19 SER HA 53 ASN HA 3.43
&rst
ixpk= 0, nxpk= 0, iat= 254, 823, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 19 SER HA 54 ALA HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= 254, 835, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 55 LEU HA 56 VAL HN 3.61
&rst
ixpk= 0, nxpk= 0, iat= 847, 864, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 170 MET HA 170 MET HG2 3.54
&rst
ixpk= 0, nxpk= 0, iat=2663,2668, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 170 MET HA 170 MET HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat=2663,2669, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 135 LEU HA 135 LEU HG 3.61
&rst
ixpk= 0, nxpk= 0, iat=2106,2111, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 58 MET HA 58 MET QE 3.87
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 908, 909, 910,
&end
#
# 200 ARG+ HA 200 ARG+ QD 3.50
&rst
ixpk= 0, nxpk= 0, iat=3116, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=3124,3125,
&end
#
# 172 LEU HA 172 LEU HG 3.82
&rst
ixpk= 0, nxpk= 0, iat=2690,2695, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 172 LEU HA 172 LEU QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat=2690, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2697,2698,2699,
&end
#
# 135 LEU HA 135 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat=2106, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2113,2114,2115,
&end
#
# 41 VAL HA 58 MET HA 3.80
&rst
ixpk= 0, nxpk= 0, iat= 597, 899, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 43 ARG+ HA 106 ASP- HA 3.61
&rst
ixpk= 0, nxpk= 0, iat= 630,1646, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 18 VAL HA 83 ILE HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= 238,1278, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 135 LEU HA 201 VAL HA 3.30
&rst
ixpk= 0, nxpk= 0, iat=2106,3140, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 134 HIS HA 172 LEU HA 3.55
&rst
ixpk= 0, nxpk= 0, iat=2089,2690, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 82 ARG+ HA 82 ARG+ QD 3.39
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1262,1263,
&end
#
# 82 ARG+ HA 82 ARG+ HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1254,1256, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 ARG+ HA 82 ARG+ HB3 3.03
&rst
ixpk= 0, nxpk= 0, iat=1254,1257, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 82 ARG+ HA 82 ARG+ HG2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1254,1259, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 164 PHE QE 172 LEU QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2554,2558,
igr2=2697,2698,2699,
&end
#
# 163 PHE HZ 171 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat=2536, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2682,2683,2684,
&end
#
# 185 LEU HG 186 ILE HN 3.62
&rst
ixpk= 0, nxpk= 0, iat=2884,2896, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 71 LEU HN 71 LEU HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1075,1080, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 147 LEU QD2 148 LYS+ HN 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2294, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2288,2289,2290,
&end
#
# 32 PHE QE 33 ILE QD1 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 464, 468,
igr2= 487, 488, 489,
&end
#
# 36 GLY HN 37 VAL QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 545, 546, 547,
&end
#
# 147 LEU QD2 161 PHE QE 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2288,2289,2290,
igr2=2492,2496,
&end
#
# 105 LYS+ HB3 107 TYR QE 3.03
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2=1666,1671,
&end
#
# 105 LYS+ HB3 107 TYR QD 3.74
&rst
ixpk= 0, nxpk= 0, iat=1627, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1664,1673,
&end
#
# 182 VAL QG1 183 GLN HN 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2850, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=2840,2841,2842,
&end
#
# 182 VAL HN 182 VAL QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2844,2845,2846,
&end
#
# 182 VAL HN 182 VAL QG1 3.41
&rst
ixpk= 0, nxpk= 0, iat=2834, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2840,2841,2842,
&end
#
# 15 VAL QG1 16 LEU HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 188, 189, 190,
&end
#
# 46 ILE HN 46 ILE QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 703, 704, 705,
&end
#
# 17 LEU HN 17 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 230, 231, 232,
&end
#
# 44 VAL QG2 45 LYS+ HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 662, 663, 664,
&end
#
# 33 ILE HN 33 ILE QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 480, 481, 482,
&end
#
# 16 LEU HN 55 LEU QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 854, 855, 856,
&end
#
# 135 LEU QD2 151 PHE QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2117,2118,2119,
igr2=2359,2367,
&end
#
# 35 PHE QE 56 VAL QG1 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 522, 526,
igr2= 870, 871, 872,
&end
#
# 37 VAL HN 37 VAL QG1 2.97
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 545, 546, 547,
&end
#
# 18 VAL HN 18 VAL HB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 161 PHE QD 173 ILE HB 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr1=2490,2498,
&end
#
# 66 LEU QD1 70 HIS HE1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1010,1011,1012,
&end
#
# 33 ILE QG2 34 LEU HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 480, 481, 482,
&end
#
# 186 ILE HN 186 ILE QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=2896, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2902,2903,2904,
&end
#
# 25 ARG+ HN 25 ARG+ HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 339, 344, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 32 PHE HZ 112 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1736,1737,1738,
&end
#
# 21 LEU QD2 53 ASN HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 290, 291, 292,
&end
#
# 172 LEU HN 172 LEU HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=2688,2692, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 159 LYS+ HB3 160 GLY HN 3.79
&rst
ixpk= 0, nxpk= 0, iat=2458,2475, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 47 LEU HG 54 ALA HA 3.28
&rst
ixpk= 0, nxpk= 0, iat= 716, 837, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 193 LEU HN 198 HIS HD2 4.28
&rst
ixpk= 0, nxpk= 0, iat=3006,3091, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 32 PHE QE 33 ILE HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 464, 468,
&end
#
# 38 TYR QD 70 HIS HD2 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 563, 572,
&end
#
# 38 TYR HN 38 TYR QD 3.71
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 563, 572,
&end
#
# 32 PHE QD 107 TYR QE 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 462, 470,
igr2=1666,1671,
&end
#
# 197 HIS HN 198 HIS HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat=3061,3091, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 112 LEU HN 113 HIS HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=1723,1742, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 35 PHE HN 35 PHE QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 522, 526,
&end
#
# 161 PHE QE 163 PHE HZ 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2492,2496,
&end
#
# 34 LEU HN 35 PHE QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 520, 528,
&end
#
# 189 HIS HE1 200 ARG+ HA 2.92
&rst
ixpk= 0, nxpk= 0, iat=2956,3116, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 161 PHE QD 162 LYS+ HA 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2504, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=2490,2498,
&end
#
# 77 HIS HA 77 HIS HD2 3.02
&rst
ixpk= 0, nxpk= 0, iat=1175,1186, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 87 LYS+ HA 88 HIS HN 3.59
&rst
ixpk= 0, nxpk= 0, iat=1341,1361, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 146 ASP- HA 150 LEU HN 3.89
&rst
ixpk= 0, nxpk= 0, iat=2265,2332, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 196 ASN HA 198 HIS HD2 3.56
&rst
ixpk= 0, nxpk= 0, iat=3049,3091, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 147 LEU HA 150 LEU HN 4.16
&rst
ixpk= 0, nxpk= 0, iat=2277,2332, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 127 PHE QD 205 LYS+ HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,3198, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1993,2001,
&end
#
# 26 VAL HA 77 HIS HE1 2.85
&rst
ixpk= 0, nxpk= 0, iat= 365,1183, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 110 SER HB2 113 HIS HN 3.74
&rst
ixpk= 0, nxpk= 0, iat=1702,1742, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 35 PHE HA 35 PHE QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 520, 528,
&end
#
# 69 SER QB 70 HIS HE1 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1051,1052,
&end
#
# 148 LYS+ HA 161 PHE QD 4.41
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2490,2498,
&end
#
# 144 GLU- HA 161 PHE QD 4.36
&rst
ixpk= 0, nxpk= 0, iat=2235, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2490,2498,
&end
#
# 88 HIS HB3 88 HIS HD2 3.41
&rst
ixpk= 0, nxpk= 0, iat=1366,1374, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 48 PHE QD 49 ASN QB 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 736, 744,
igr2= 752, 753,
&end
#
# 70 HIS HB2 72 ASN HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=1062,1094, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 42 GLN HB2 43 ARG+ HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 615, 628, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 180 GLU- QG 184 ALA HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2867, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2816,2817,
&end
#
# 180 GLU- QG 181 ALA HN 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=2816,2817,
&end
#
# 36 GLY HN 41 VAL HB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 532, 599, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 195 GLU- QG 197 HIS HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,3074, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=3039,3040,
&end
#
# 141 SER HN 142 VAL HB 4.23
&rst
ixpk= 0, nxpk= 0, iat=2195,2210, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 70 HIS HB3 74 HIS HD2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1063,1128, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 144 GLU- HB2 161 PHE QD 3.50
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2490,2498,
&end
#
# 44 VAL HN 57 GLN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 652, 885, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 144 GLU- HB2 163 PHE QE 3.42
&rst
ixpk= 0, nxpk= 0, iat=2237, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2534,2538,
&end
#
# 148 LYS+ HN 148 LYS+ HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=2294,2298, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 147 LEU HN 147 LEU HB2 2.82
&rst
ixpk= 0, nxpk= 0, iat=2275,2279, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 34 LEU HB3 38 TYR QD 3.87
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 563, 572,
&end
#
# 151 PHE QE 188 LEU HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2931, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=2361,2365,
&end
#
# 82 ARG+ HN 83 ILE HB 4.67
&rst
ixpk= 0, nxpk= 0, iat=1252,1280, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 138 ILE QG1 163 PHE QE 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2158,2159,
igr2=2534,2538,
&end
#
# 45 LYS+ HB3 55 LEU HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 673, 845, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 56 VAL HN 56 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 864, 868, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 35 PHE QE 56 VAL HB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 522, 526,
&end
#
# 132 THR QG2 173 ILE HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2707, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2060,2061,2062,
&end
#
# 76 LEU QD1 77 HIS HE1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1163,1164,1165,
&end
#
# 138 ILE QD1 163 PHE QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2161,2162,2163,
igr2=2532,2540,
&end
#
# 163 PHE QD 171 ALA QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2532,2540,
igr2=2682,2683,2684,
&end
#
# 185 LEU QD2 203 PHE QD 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2890,2891,2892,
igr2=3173,3181,
&end
#
# 71 LEU QD2 74 HIS HD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1088,1089,1090,
&end
#
# 21 LEU QD2 54 ALA HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 837, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 290, 291, 292,
&end
#
# 138 ILE QD1 163 PHE HZ 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2536, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2161,2162,2163,
&end
#
# 127 PHE QD 205 LYS+ HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,3201, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1993,2001,
&end
#
# 26 VAL QG1 77 HIS HE1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 369, 370, 371,
&end
#
# 17 LEU QD2 84 THR HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 230, 231, 232,
&end
#
# 161 PHE QD 173 ILE HG13 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2718, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=2490,2498,
&end
#
# 27 THR QG2 77 HIS HE1 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 385, 386, 387,
&end
#
# 30 SER HA 186 ILE QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2902,2903,2904,
&end
#
# 30 SER HB3 186 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2902,2903,2904,
&end
#
# 30 SER HB2 186 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2902,2903,2904,
&end
#
# 30 SER HB3 186 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2909,2910,2911,
&end
#
# 30 SER HB2 186 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2909,2910,2911,
&end
#
# 30 SER HA 186 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2909,2910,2911,
&end
#
# 30 SER HA 186 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2909,2910,2911,
&end
#
# 33 ILE HA 185 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2886,2887,2888,2890,2891,2892,
&end
#
# 33 ILE QG2 185 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 480, 481, 482,
igr2=2890,2891,2892,
&end
#
# 33 ILE QG2 185 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 480, 481, 482,
igr2=2886,2887,2888,
&end
#
# 33 ILE QG2 186 ILE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2898, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 480, 481, 482,
&end
#
# 33 ILE QG2 189 HIS HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 480, 481, 482,
&end
#
# 33 ILE QD1 185 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 487, 488, 489,
igr2=2890,2891,2892,
&end
#
# 33 ILE QD1 185 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 487, 488, 489,
igr2=2886,2887,2888,
&end
#
# 33 ILE QD1 186 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 487, 488, 489,
igr2=2902,2903,2904,
&end
#
# 33 ILE QD1 186 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 487, 488, 489,
igr2=2909,2910,2911,
&end
#
# 33 ILE QD1 189 HIS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 487, 488, 489,
igr2=2950,2951,
&end
#
# 33 ILE QD1 189 HIS HD2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 487, 488, 489,
&end
#
# 34 LEU HA 182 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2840,2841,2842,2844,2845,2846,
&end
#
# 34 LEU HA 185 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2886,2887,2888,2890,2891,2892,
&end
#
# 34 LEU HA 186 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2902,2903,2904,
&end
#
# 34 LEU HA 186 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=2909,2910,2911,
&end
#
# 34 LEU QD1 185 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 502, 503, 504,
igr2=2886,2887,2888,2890,2891,2892,
&end
#
# 34 LEU QD2 185 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 506, 507, 508,
igr2=2886,2887,2888,2890,2891,2892,
&end
#
# 37 VAL QQG 126 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 545, 546, 547, 549, 550, 551,
igr2=1972,1973,1974,
&end
#
# 37 VAL QG1 185 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 545, 546, 547,
igr2=2886,2887,2888,
&end
#
# 37 VAL QG1 185 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 545, 546, 547,
igr2=2890,2891,2892,
&end
#
# 37 VAL QG2 185 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 549, 550, 551,
igr2=2886,2887,2888,
&end
#
# 37 VAL QG2 185 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 549, 550, 551,
igr2=2890,2891,2892,
&end
#
# 37 VAL QG1 203 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 545, 546, 547,
igr2=3173,3181,
&end
#
# 37 VAL QG1 203 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 545, 546, 547,
igr2=3175,3179,
&end
#
# 37 VAL QG2 203 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 549, 550, 551,
igr2=3173,3181,
&end
#
# 37 VAL QG2 203 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 549, 550, 551,
igr2=3175,3179,
&end
#
# 38 TYR HA 126 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1979,1980,1981,
&end
#
# 38 TYR HA 126 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1972,1973,1974,
&end
#
# 38 TYR QD 126 ILE QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 563, 572,
igr2=1972,1973,1974,
&end
#
# 38 TYR QD 126 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 563, 572,
igr2=1979,1980,1981,
&end
#
# 38 TYR QE 126 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 565, 570,
&end
#
# 38 TYR QE 126 ILE QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 565, 570,
igr2=1972,1973,1974,
&end
#
# 38 TYR QE 126 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 565, 570,
igr2=1979,1980,1981,
&end
#
# 66 LEU QD1 126 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1010,1011,1012,
igr2=1979,1980,1981,
&end
#
# 66 LEU QD2 126 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1014,1015,1016,
igr2=1979,1980,1981,
&end
#
# 66 LEU HB2 126 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1979,1980,1981,
&end
#
# 66 LEU HB3 126 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1979,1980,1981,
&end
#
# 66 LEU HB2 126 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1972,1973,1974,
&end
#
# 66 LEU HB3 126 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1972,1973,1974,
&end
#
# 66 LEU QD1 126 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1010,1011,1012,
igr2=1972,1973,1974,
&end
#
# 66 LEU QD2 126 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1014,1015,1016,
igr2=1972,1973,1974,
&end
#
# 66 LEU QD1 126 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1010,1011,1012,
&end
#
# 66 LEU QD2 126 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1014,1015,1016,
&end
#
# 66 LEU QD1 126 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1010,1011,1012,
&end
#
# 66 LEU QD2 126 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1014,1015,1016,
&end
#
# 70 HIS HD2 126 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1972,1973,1974,
&end
#
# 70 HIS HE1 126 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1972,1973,1974,
&end
#
# 70 HIS HD2 126 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1979,1980,1981,
&end
#
# 70 HIS HE1 126 ILE QD1 7.00
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1979,1980,1981,
&end
#
# 70 HIS HD2 128 PRO QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2009,2010,
&end
#
# 70 HIS HE1 128 PRO QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2009,2010,
&end
#
# 70 HIS HE1 128 PRO QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2012,2013,
&end
#
# 74 HIS HA 178 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2784,2785,2786,
&end
#
# 74 HIS HA 178 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2788,2789,2790,
&end
#
# 74 HIS HD2 178 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2784,2785,2786,
&end
#
# 74 HIS HD2 178 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2788,2789,2790,
&end
#
# 74 HIS HD2 182 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2840,2841,2842,
&end
#
# 74 HIS HD2 182 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2844,2845,2846,
&end
#
# 74 HIS HE1 178 VAL QG1 3.00
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2784,2785,2786,
&end
#
# 74 HIS HE1 178 VAL QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2788,2789,2790,
&end
#
# 74 HIS HE1 178 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1125,2782, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 74 HIS HE1 182 VAL QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2840,2841,2842,
&end
#
# 74 HIS HE1 182 VAL QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2844,2845,2846,
&end
#
# 76 LEU HA 182 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2840,2841,2842,2844,2845,2846,
&end
#
# 76 LEU QQD 182 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
igr1=1163,1164,1165,1167,1168,1169,
igr2=2840,2841,2842,2844,2845,2846,
&end
#
# 76 LEU QQD 186 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1163,1164,1165,1167,1168,1169,
igr2=2902,2903,2904,
&end
#
# 76 LEU QQD 186 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1163,1164,1165,1167,1168,1169,
igr2=2909,2910,2911,
&end
#
# 77 HIS HE1 186 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2902,2903,2904,
&end
#
# 77 HIS HE1 186 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2909,2910,2911,
&end
#
# 77 HIS HD2 186 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2909,2910,2911,
&end
#
# 112 LEU QD1 189 HIS HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD1 189 HIS HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2959, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD1 190 ASN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2965, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD2 190 ASN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2965, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1736,1737,1738,
&end
#
# 112 LEU QD1 190 ASN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD2 190 ASN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2967, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1736,1737,1738,
&end
#
# 112 LEU QD1 190 ASN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1732,1733,1734,
&end
#
# 112 LEU QD2 190 ASN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1736,1737,1738,
&end
#
# 115 PHE HZ 126 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1972,1973,1974,
&end
#
# 115 PHE HZ 126 ILE QD1 3.00
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1979,1980,1981,
&end
#
# 117 LYS+ QE 122 ASN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1838,1839,
&end
#
# 117 LYS+ QE 122 ASN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1838,1839,
&end
#
# 117 LYS+ QD 122 ASN HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1835,1836,
&end
#
# 117 LYS+ QD 122 ASN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1906, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1835,1836,
&end
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