NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
579367 |
2mkj   |
19777 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 145 TYR QD 178 ALA H 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2775, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr1=2295,2304,
&end
#
# 145 TYR QD 178 ALA HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2777, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2295,2304,
&end
#
# 11 TYR QD 13 ARG HA 6.3
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 172, 181,
&end
#
# 84 TYR QD 85 LEU H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1319,1328,
&end
#
# 84 TYR QD 97 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1319,1328,
&end
#
# 11 TYR QD 101 PRO QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 172, 181,
igr2=1600,1601,
&end
#
# 82 LYS HE3 84 TYR QD 5.39
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1319,1328,
&end
#
# 146 GLY HA2 170 PHE QD 5.71
&rst
ixpk= 0, nxpk= 0, iat=2310, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2653,2661,
&end
#
# 170 PHE QD 176 TYR HB2 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2653,2661,
&end
#
# 144 LEU HG 145 TYR QD 5.25
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=2295,2304,
&end
#
# 141 MET QB 145 TYR QD 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=2219,2220,
igr2=2295,2304,
&end
#
# 145 TYR QD 178 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2295,2304,
igr2=2779,2780,2781,
&end
#
# 144 LEU QD2 145 TYR QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2281,2282,2283,
igr2=2295,2304,
&end
#
# 11 TYR QD 103 ASN HB2 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 172, 181,
&end
#
# 11 TYR HA 11 TYR QD 4.87
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 172, 181,
&end
#
# 11 TYR QD 103 ASN H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 172, 181,
&end
#
# 11 TYR QD 103 ASN HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1633, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 172, 181,
&end
#
# 148 VAL HA 170 PHE QD 5.63
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=2653,2661,
&end
#
# 123 ILE HB 170 PHE QD 5.3
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2653,2661,
&end
#
# 144 LEU HA 145 TYR QD 5.4
&rst
ixpk= 0, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2295,2304,
&end
#
# 24 ILE H 53 PHE QD 4.42
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 844, 852,
&end
#
# 11 TYR QD 102 TRP HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 172, 181,
&end
#
# 11 TYR QD 69 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 172, 181,
igr2=1094,1095,1096,
&end
#
# 149 CYS HB2 170 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=2342, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2653,2661,
&end
#
# 147 GLY H 170 PHE QD 5.04
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2653,2661,
&end
#
# 33 PHE QD 87 VAL HB 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 502, 510,
&end
#
# 147 GLY HA2 170 PHE QD 4.91
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2653,2661,
&end
#
# 170 PHE QD 175 SER QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2653,2661,
igr2=2728,2729,
&end
#
# 123 ILE QD1 170 PHE QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1942,1943,1944,
igr2=2653,2661,
&end
#
# 168 VAL QG1 170 PHE QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=2625,2626,2627,
igr2=2653,2661,
&end
#
# 29 ILE HG12 33 PHE QD 5.72
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 502, 510,
&end
#
# 33 PHE HA 33 PHE QD 4.83
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 502, 510,
&end
#
# 33 PHE QD 61 LEU QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 502, 510,
igr2= 973, 974, 975,
&end
#
# 170 PHE HA 170 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat=2647, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2653,2661,
&end
#
# 29 ILE QD1 33 PHE QD 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 453, 454, 455,
igr2= 502, 510,
&end
#
# 33 PHE QD 61 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 502, 510,
igr2= 977, 978, 979,
&end
#
# 32 SER HB2 33 PHE QD 5.56
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 502, 510,
&end
#
# 29 ILE HB 33 PHE QD 5.8
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2= 502, 510,
&end
#
# 170 PHE H 170 PHE QE 5.18
&rst
ixpk= 0, nxpk= 0, iat=2645, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2655,2659,
&end
#
# 170 PHE QE 176 TYR HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2655,2659,
&end
#
# 32 SER HB3 33 PHE QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 502, 510,
&end
#
# 24 ILE QD1 53 PHE QD 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 380, 381, 382,
igr2= 844, 852,
&end
#
# 25 ASP HB2 53 PHE QD 5.5
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 844, 852,
&end
#
# 124 PHE HA 201 TYR QD 5.39
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=3155,3164,
&end
#
# 201 TYR HA 201 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=3149, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=3155,3164,
&end
#
# 122 THR HB 201 TYR QD 4.21
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=3155,3164,
&end
#
# 122 THR QG2 201 TYR QD 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1921,1922,1923,
igr2=3155,3164,
&end
#
# 33 PHE HA 36 PHE QD 5.73
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 570, 578,
&end
#
# 33 PHE HB3 36 PHE QD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 570, 578,
&end
#
# 36 PHE QD 73 ILE H 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 570, 578,
&end
#
# 124 PHE H 201 TYR QD 5.49
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=3155,3164,
&end
#
# 201 TYR H 201 TYR QD 5.15
&rst
ixpk= 0, nxpk= 0, iat=3147, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=3155,3164,
&end
#
# 123 ILE HA 201 TYR QD 5.65
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=3155,3164,
&end
#
# 176 TYR QD 177 ILE H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2756, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=2743,2752,
&end
#
# 176 TYR QD 180 ILE HB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2799, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2743,2752,
&end
#
# 123 ILE QD1 176 TYR QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1942,1943,1944,
igr2=2743,2752,
&end
#
# 176 TYR QD 180 ILE QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2743,2752,
igr2=2808,2809,2810,
&end
#
# 148 VAL HA 170 PHE QE 5.7
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2655,2659,
&end
#
# 174 GLN HA 176 TYR QD 5.25
&rst
ixpk= 0, nxpk= 0, iat=2709, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=2743,2752,
&end
#
# 33 PHE HB2 36 PHE QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 570, 578,
&end
#
# 184 PHE HA 184 PHE QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=2861, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2867,2875,
&end
#
# 36 PHE QD 72 LEU HG 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 570, 578,
&end
#
# 124 PHE QD 199 LYS H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,3111, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1956,1964,
&end
#
# 124 PHE HA 124 PHE QD 4.31
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1956,1964,
&end
#
# 124 PHE QD 199 LYS HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,3121, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1956,1964,
&end
#
# 124 PHE QD 125 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1956,1964,
&end
#
# 124 PHE QE 125 VAL H 5
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1958,1962,
&end
#
# 124 PHE QE 126 GLY HA2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1986, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1958,1962,
&end
#
# 124 PHE QE 199 LYS HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,3121, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1958,1962,
&end
#
# 124 PHE QE 165 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1958,1962,
igr2=2582,2583,2584,
&end
#
# 33 PHE HB2 36 PHE QE 5.68
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 572, 576,
&end
#
# 15 VAL HB 36 PHE QE 5.54
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 572, 576,
&end
#
# 124 PHE HA 124 PHE QE 5.5
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1958,1962,
&end
#
# 109 PHE QE 137 LEU QB 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1720,1724,
igr2=2154,2155,
&end
#
# 15 VAL QG1 36 PHE QE 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 248, 249, 250,
igr2= 572, 576,
&end
#
# 109 PHE HA 109 PHE QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=1712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1718,1726,
&end
#
# 108 ASP HA 109 PHE QD 5.73
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1718,1726,
&end
#
# 16 PHE QE 100 ARG QG 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 268, 272,
igr2=1576,1577,
&end
#
# 36 PHE QE 72 LEU HG 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 572, 576,
&end
#
# 109 PHE QE 152 GLY HA2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2382, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1720,1724,
&end
#
# 184 PHE QE 195 ARG HB2 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1,3044, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2869,2873,
&end
#
# 16 PHE QE 100 ARG HB3 6.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 268, 272,
&end
#
# 16 PHE QE 18 GLY H 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 268, 272,
&end
#
# 36 PHE QE 71 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 572, 576,
igr2=1125,1126,1127,
&end
#
# 109 PHE H 109 PHE QD 5.36
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1718,1726,
&end
#
# 109 PHE QD 134 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1718,1726,
igr2=2113,2114,2115,
&end
#
# 16 PHE QE 100 ARG H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 268, 272,
&end
#
# 16 PHE QE 98 GLN HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 268, 272,
&end
#
# 16 PHE QD 99 ILE QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 266, 274,
igr2=1563,1564,1565,
&end
#
# 16 PHE QD 99 ILE QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 266, 274,
igr2=1556,1557,1558,
&end
#
# 63 PHE QD 64 GLN HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1010,1018,
&end
#
# 109 PHE QD 138 ALA HA 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1718,1726,
&end
#
# 16 PHE QE 58 TYR HA 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 268, 272,
&end
#
# 16 PHE QE 17 VAL QG1 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1= 268, 272,
igr2= 284, 285, 286,
&end
#
# 16 PHE QD 17 VAL HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 280, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 266, 274,
&end
#
# 16 PHE QD 58 TYR HB3 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 266, 274,
&end
#
# 184 PHE H 184 PHE QE 5.58
&rst
ixpk= 0, nxpk= 0, iat=2859, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2869,2873,
&end
#
# 184 PHE HA 184 PHE QE 5.07
&rst
ixpk= 0, nxpk= 0, iat=2861, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2869,2873,
&end
#
# 33 PHE QE 61 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1= 504, 508,
igr2= 977, 978, 979,
&end
#
# 32 SER HB2 33 PHE QE 5.17
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 504, 508,
&end
#
# 33 PHE QE 97 VAL QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 504, 508,
igr2=1527,1528,1529,
&end
#
# 33 PHE QE 99 ILE QD1 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 504, 508,
igr2=1563,1564,1565,
&end
#
# 29 ILE QD1 33 PHE QE 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 453, 454, 455,
igr2= 504, 508,
&end
#
# 33 PHE QE 61 LEU QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 504, 508,
igr2= 973, 974, 975,
&end
#
# 25 ASP HA 53 PHE QE 5.47
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 846, 850,
&end
#
# 16 PHE HZ 58 TYR HB2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 270, 917, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 16 PHE HZ 18 GLY QA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 296, 297,
&end
#
# 183 ARG HD2 184 PHE HZ 5.45
&rst
ixpk= 0, nxpk= 0, iat=2845,2871, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 16 PHE HZ 58 TYR HB3 5.41
&rst
ixpk= 0, nxpk= 0, iat= 270, 918, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 36 PHE HZ 73 ILE QG1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1160,1161,
&end
#
# 15 VAL QG1 36 PHE HZ 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 248, 249, 250,
&end
#
# 15 VAL HB 36 PHE HZ 5.74
&rst
ixpk= 0, nxpk= 0, iat= 246, 574, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 33 PHE HZ 61 LEU QD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 977, 978, 979,
&end
#
# 33 PHE HZ 61 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 973, 974, 975,
&end
#
# 17 VAL QG1 33 PHE HZ 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 284, 285, 286,
&end
#
# 33 PHE HZ 99 ILE QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1563,1564,1565,
&end
#
# 20 LEU QD1 33 PHE HZ 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 317, 318, 319,
&end
#
# 102 TRP HD1 103 ASN HA 6
&rst
ixpk= 0, nxpk= 0, iat=1615,1633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLU HB2 43 TRP HZ2 5.56
&rst
ixpk= 0, nxpk= 0, iat= 402, 682, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 26 GLU HG3 43 TRP HZ2 4.66
&rst
ixpk= 0, nxpk= 0, iat= 406, 682, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 102 TRP HH2 103 ASN H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1622,1631, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 26 GLU HA 43 TRP HH2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 400, 684, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 29 ILE QD1 43 TRP HH2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 453, 454, 455,
&end
#
# 29 ILE QG2 43 TRP HH2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 446, 447, 448,
&end
#
# 26 GLU HA 43 TRP HZ2 5.67
&rst
ixpk= 0, nxpk= 0, iat= 400, 682, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 29 ILE QG2 43 TRP HZ3 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 446, 447, 448,
&end
#
# 29 ILE QG2 43 TRP HZ2 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 446, 447, 448,
&end
#
# 43 TRP HZ3 61 LEU HA 5.65
&rst
ixpk= 0, nxpk= 0, iat= 686, 966, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 145 TYR QE 178 ALA HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2777, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=2297,2302,
&end
#
# 145 TYR H 145 TYR QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2297,2302,
&end
#
# 145 TYR QE 179 ALA HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2787, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2297,2302,
&end
#
# 145 TYR QE 178 ALA QB 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2297,2302,
igr2=2779,2780,2781,
&end
#
# 144 LEU QD2 145 TYR QE 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2281,2282,2283,
igr2=2297,2302,
&end
#
# 176 TYR QE 177 ILE HG13 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2745,2750,
&end
#
# 176 TYR QE 177 ILE QD1 4.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2745,2750,
igr2=2769,2770,2771,
&end
#
# 176 TYR QE 180 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=2745,2750,
igr2=2808,2809,2810,
&end
#
# 124 PHE HA 201 TYR QE 5.75
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=3157,3162,
&end
#
# 189 HIS HA 189 HIS HD2 5.46
&rst
ixpk= 0, nxpk= 0, iat=2950,2961, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 189 HIS HB2 189 HIS HD2 4.38
&rst
ixpk= 0, nxpk= 0, iat=2952,2961, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 122 THR HB 201 TYR QE 4.33
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=3157,3162,
&end
#
# 201 TYR HA 201 TYR QE 4.65
&rst
ixpk= 0, nxpk= 0, iat=3149, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=3157,3162,
&end
#
# 122 THR QG2 201 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=1921,1922,1923,
igr2=3157,3162,
&end
#
# 82 LYS HE3 84 TYR QE 4.38
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1321,1326,
&end
#
# 57 GLY QA 58 TYR QE 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 908, 909,
igr2= 923, 928,
&end
#
# 11 TYR H 11 TYR QE 5.52
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 174, 179,
&end
#
# 84 TYR QE 99 ILE H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1321,1326,
&end
#
# 58 TYR HA 58 TYR QE 5.65
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 923, 928,
&end
#
# 11 TYR QE 101 PRO QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 174, 179,
igr2=1600,1601,
&end
#
# 11 TYR QE 69 VAL QG1 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 174, 179,
igr2=1094,1095,1096,
&end
#
# 11 TYR QE 102 TRP HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 174, 179,
&end
#
# 11 TYR QE 73 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 174, 179,
igr2=1163,1164,1165,
&end
#
# 11 TYR QE 103 ASN H 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1631, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 174, 179,
&end
#
# 58 TYR HA 58 TYR QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 921, 930,
&end
#
# 18 GLY QA 58 TYR QD 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 296, 297,
igr2= 921, 930,
&end
#
# 58 TYR QD 59 ALA H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 921, 930,
&end
#
# 20 LEU QB 58 TYR QD 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 312, 313,
igr2= 921, 930,
&end
#
# 122 THR HB 201 TYR HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=1919,3149, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 121 LYS H 122 THR HB 5.31
&rst
ixpk= 0, nxpk= 0, iat=1893,1919, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 122 THR HB 201 TYR HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat=1919,3152, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 30 THR HB 32 SER H 5.67
&rst
ixpk= 0, nxpk= 0, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 30 THR HA 33 PHE QD 5.85
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 502, 510,
&end
#
# 28 GLU QG 29 ILE HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 432, 433,
&end
#
# 29 ILE HA 33 PHE QD 5.57
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 502, 510,
&end
#
# 28 GLU H 29 ILE HA 5.84
&rst
ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 139 MET HG3 140 ILE HA 6
&rst
ixpk= 0, nxpk= 0, iat=2187,2198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 ILE HA 140 ILE QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2206,2207,
&end
#
# 140 ILE HA 143 ARG H 4.82
&rst
ixpk= 0, nxpk= 0, iat=2198,2244, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 171 SER HB3 172 ASN H 5.73
&rst
ixpk= 0, nxpk= 0, iat=2670,2676, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 148 VAL HA 170 PHE HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2324,2647, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 171 SER HB2 172 ASN H 5.89
&rst
ixpk= 0, nxpk= 0, iat=2669,2676, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 107 SER HB3 108 ASP H 5.73
&rst
ixpk= 0, nxpk= 0, iat=1692,1698, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 30 THR QG2 38 PRO HA 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 465, 466, 467,
&end
#
# 22 PRO HA 24 ILE H 5.62
&rst
ixpk= 0, nxpk= 0, iat= 351, 367, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 175 SER QB 176 TYR HB3 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2740, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2728,2729,
&end
#
# 175 SER QB 178 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2728,2729,
igr2=2779,2780,2781,
&end
#
# 170 PHE QE 175 SER QB 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1=2655,2659,
igr2=2728,2729,
&end
#
# 29 ILE QD1 32 SER HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 453, 454, 455,
&end
#
# 134 ALA QB 135 VAL HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2121, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2113,2114,2115,
&end
#
# 68 SER HB2 71 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1125,1126,1127,
&end
#
# 32 SER H 32 SER HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= 483, 488, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 104 LEU QD2 105 SER HB3 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1658,1659,1660,
&end
#
# 135 VAL HA 138 ALA H 5.3
&rst
ixpk= 0, nxpk= 0, iat=2121,2169, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 145 TYR HB2 175 SER HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=2291,2726, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 146 GLY H 175 SER HA 5.79
&rst
ixpk= 0, nxpk= 0, iat=2308,2726, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 181 SER HB3 182 ALA H 4.87
&rst
ixpk= 0, nxpk= 0, iat=2819,2825, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 179 ALA H 180 ILE HA 5.81
&rst
ixpk= 0, nxpk= 0, iat=2785,2797, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 180 ILE HA 180 ILE HG13 4.66
&rst
ixpk= 0, nxpk= 0, iat=2797,2806, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 180 ILE HA 180 ILE HG12 4.16
&rst
ixpk= 0, nxpk= 0, iat=2797,2805, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 176 TYR QE 177 ILE HA 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2758, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=2745,2750,
&end
#
# 116 PRO HA 117 LEU HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=1820,1826, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 68 SER HA 71 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1125,1126,1127,
&end
#
# 68 SER HA 72 LEU H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1079,1131, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 76 CYS HA 85 LEU QD2 5.59
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1345,1346,1347,
&end
#
# 192 ILE HA 193 ASP HA 5.18
&rst
ixpk= 0, nxpk= 0, iat=2989,3008, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 151 ALA QB 168 VAL HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2621, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2374,2375,2376,
&end
#
# 192 ILE HA 193 ASP HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat=2989,3010, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 170 PHE QE 176 TYR HA 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2737, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2655,2659,
&end
#
# 125 VAL QG1 198 VAL HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3097, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1974,1975,1976,
&end
#
# 180 ILE H 181 SER HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=2795,2816, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 182 ALA H 183 ARG HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2825,2837, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 123 ILE QD1 176 TYR HA 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2737, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1942,1943,1944,
&end
#
# 176 TYR HA 176 TYR QD 4.78
&rst
ixpk= 0, nxpk= 0, iat=2737, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2743,2752,
&end
#
# 170 PHE QD 176 TYR HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2737, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2653,2661,
&end
#
# 176 TYR HA 178 ALA H 5.91
&rst
ixpk= 0, nxpk= 0, iat=2737,2775, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 124 PHE QD 198 VAL HA 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,3097, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1956,1964,
&end
#
# 92 ILE HA 93 LYS H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1430,1447, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 GLU HA 43 TRP HZ3 5.79
&rst
ixpk= 0, nxpk= 0, iat= 400, 686, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 106 ASP H 107 SER HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1675,1689, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 107 SER HA 109 PHE H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1689,1710, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 184 PHE HB3 185 VAL HA 5.53
&rst
ixpk= 0, nxpk= 0, iat=2864,2881, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 105 SER HA 107 SER H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1666,1687, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 92 ILE HA 93 LYS QB 4.96
&rst
ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1451,1452,
&end
#
# 174 GLN HA 178 ALA H 5.03
&rst
ixpk= 0, nxpk= 0, iat=2709,2775, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 77 ILE HA 78 GLU H 3.6
&rst
ixpk= 0, nxpk= 0, iat=1204,1221, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 123 ILE HA 201 TYR HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat=1931,3152, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 32 SER HB2 33 PHE HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 487, 496, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 196 VAL HA 197 GLU HB3 5.3
&rst
ixpk= 0, nxpk= 0, iat=3066,3085, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 17 VAL HA 97 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1523,1524,1525,
&end
#
# 36 PHE HA 36 PHE QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 570, 578,
&end
#
# 13 ARG HA 13 ARG QD 5.32
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 206, 207,
&end
#
# 142 ASP H 143 ARG HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=2232,2246, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 143 ARG HA 143 ARG QG 4.48
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2251,2252,
&end
#
# 142 ASP HA 144 LEU HG 5.9
&rst
ixpk= 0, nxpk= 0, iat=2234,2275, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 139 MET HA 142 ASP H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2181,2232, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 145 TYR HA 175 SER HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=2289,2726, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 158 GLU HA 158 GLU QB 3.45
&rst
ixpk= 0, nxpk= 0, iat=2460, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2462,2463,
&end
#
# 145 TYR HA 179 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2789,2790,2791,
&end
#
# 142 ASP HA 145 TYR H 5.36
&rst
ixpk= 0, nxpk= 0, iat=2234,2287, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 145 TYR HA 178 ALA QB 5.26
&rst
ixpk= 0, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=2779,2780,2781,
&end
#
# 144 LEU QD2 145 TYR HA 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=2281,2282,2283,
&end
#
# 144 LEU QB 145 TYR HA 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1,2289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2272,2273,
&end
#
# 144 LEU H 145 TYR HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=2268,2289, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 137 LEU HA 140 ILE QG1 6.7
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr2=2206,2207,
&end
#
# 171 SER HA 172 ASN HA 5.6
&rst
ixpk= 0, nxpk= 0, iat=2667,2678, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 150 TYR H 170 PHE HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=2349,2647, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 140 ILE HA 141 MET HA 5.78
&rst
ixpk= 0, nxpk= 0, iat=2198,2217, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 141 MET HA 143 ARG QG 5.9
&rst
ixpk= 0, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2251,2252,
&end
#
# 134 ALA HA 135 VAL HB 5.92
&rst
ixpk= 0, nxpk= 0, iat=2111,2123, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 134 ALA HA 137 LEU QB 5.57
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=2154,2155,
&end
#
# 71 ALA HA 72 LEU HA 5.95
&rst
ixpk= 0, nxpk= 0, iat=1123,1133, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 84 TYR HA 84 TYR QD 5.11
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1319,1328,
&end
#
# 84 TYR HA 99 ILE QD1 5.69
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=1563,1564,1565,
&end
#
# 84 TYR HA 99 ILE H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1313,1550, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 169 ALA QB 170 PHE HA 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2647, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=2639,2640,2641,
&end
#
# 111 MET HB3 149 CYS HA 5.22
&rst
ixpk= 0, nxpk= 0, iat=1751,2340, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 188 GLN HA 189 HIS HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=2933,2950, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 111 MET HA 149 CYS HA 5.63
&rst
ixpk= 0, nxpk= 0, iat=1748,2340, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 132 LEU HA 135 VAL HB 5.67
&rst
ixpk= 0, nxpk= 0, iat=2068,2123, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 195 ARG HA 196 VAL H 4.02
&rst
ixpk= 0, nxpk= 0, iat=3042,3064, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 79 GLU HA 79 GLU HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1238,1243, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 194 LYS QG 195 ARG HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,3042, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=3025,3026,
&end
#
# 39 LEU HA 64 GLN H 5.71
&rst
ixpk= 0, nxpk= 0, iat= 605,1022, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 137 LEU HA 138 ALA HA 5.93
&rst
ixpk= 0, nxpk= 0, iat=2152,2171, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 138 ALA HA 148 VAL QG2 4.5
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2332,2333,2334,
&end
#
# 39 LEU HA 62 LEU H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 605, 983, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 39 LEU HA 62 LEU QD1 5.8
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2= 992, 993, 994,
&end
#
# 163 LYS HA 163 LYS HG3 4.29
&rst
ixpk= 0, nxpk= 0, iat=2551,2557, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 138 ALA HA 142 ASP HB3 5.92
&rst
ixpk= 0, nxpk= 0, iat=2171,2237, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 138 ALA HA 142 ASP HB2 5.89
&rst
ixpk= 0, nxpk= 0, iat=2171,2236, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 14 LYS HA 62 LEU HB3 5.55
&rst
ixpk= 0, nxpk= 0, iat= 222, 988, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 31 ALA HA 32 SER HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 475, 485, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 14 LYS HA 62 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 992, 993, 994,
&end
#
# 93 LYS HA 94 ASP HA 5.4
&rst
ixpk= 0, nxpk= 0, iat=1449,1471, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 178 ALA H 179 ALA HA 5.65
&rst
ixpk= 0, nxpk= 0, iat=2775,2787, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 11 TYR HA 103 ASN H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 166,1631, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 167 ARG HA 167 ARG QG 4.55
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2602,2603,
&end
#
# 188 GLN HA 193 ASP HB3 5.83
&rst
ixpk= 0, nxpk= 0, iat=2933,3011, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 188 GLN HA 193 ASP HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat=2933,3010, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 196 VAL HA 197 GLU HA 4.97
&rst
ixpk= 0, nxpk= 0, iat=3066,3082, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 159 LEU HA 159 LEU QD2 3.92
&rst
ixpk= 0, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2486,2487,2488,
&end
#
# 159 LEU HA 161 TYR H 5.06
&rst
ixpk= 0, nxpk= 0, iat=2475,2514, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 179 ALA HA 182 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat=2787, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2829,2830,2831,
&end
#
# 108 ASP HA 152 GLY QA 5.73
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2382,2383,
&end
#
# 92 ILE H 93 LYS HA 5.09
&rst
ixpk= 0, nxpk= 0, iat=1428,1449, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 179 ALA HA 180 ILE HB 5.93
&rst
ixpk= 0, nxpk= 0, iat=2787,2799, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 179 ALA HA 181 SER H 5.54
&rst
ixpk= 0, nxpk= 0, iat=2787,2814, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 85 LEU HA 99 ILE QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1563,1564,1565,
&end
#
# 180 ILE HG12 199 LYS HA 4.97
&rst
ixpk= 0, nxpk= 0, iat=2805,3113, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 180 ILE HG13 199 LYS HA 5.68
&rst
ixpk= 0, nxpk= 0, iat=2806,3113, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 20 LEU HA 97 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1523,1524,1525,
&end
#
# 16 PHE H 100 ARG HA 5.89
&rst
ixpk= 0, nxpk= 0, iat= 258,1571, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 103 ASN HA 104 LEU HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1633,1647, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 11 TYR H 103 ASN HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= 164,1633, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 103 ASN HA 104 LEU QD1 5.56
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1654,1655,1656,
&end
#
# 11 TYR HA 103 ASN HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 166,1633, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 23 ASP HA 53 PHE QD 5.93
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 844, 852,
&end
#
# 25 ASP HA 53 PHE QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 844, 852,
&end
#
# 122 THR HA 169 ALA HA 4.68
&rst
ixpk= 0, nxpk= 0, iat=1917,2637, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 123 ILE QD1 169 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2637, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
&end
#
# 147 GLY QA 170 PHE QD 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1=2317,2318,
igr2=2653,2661,
&end
#
# 108 ASP HB3 109 PHE H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1703,1710, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 85 LEU HB3 97 VAL HB 5.8
&rst
ixpk= 0, nxpk= 0, iat=1337,1521, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 85 LEU HB3 99 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1563,1564,1565,
&end
#
# 33 PHE QE 85 LEU HB2 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 504, 508,
&end
#
# 85 LEU HB2 85 LEU QD2 4.5
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1345,1346,1347,
&end
#
# 164 GLY HA2 165 ALA QB 5.58
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=2582,2583,2584,
&end
#
# 127 GLY QA 128 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1993,1994,
igr2=2004,2005,2006,
&end
#
# 154 ASP H 166 GLY QA 4.95
&rst
ixpk= 0, nxpk= 0, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2590,2591,
&end
#
# 165 ALA QB 166 GLY QA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2582,2583,2584,
igr2=2590,2591,
&end
#
# 109 PHE QE 152 GLY QA 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,
igr1=1720,1724,
igr2=2382,2383,
&end
#
# 124 PHE QE 126 GLY QA 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1958,1962,
igr2=1986,1987,
&end
#
# 39 LEU QB 62 LEU QD1 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 607, 608,
igr2= 992, 993, 994,
&end
#
# 13 ARG QD 62 LEU HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 206, 207,
&end
#
# 13 ARG QD 62 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 206, 207,
igr2= 992, 993, 994,
&end
#
# 13 ARG QD 65 ASP HA 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 206, 207,
&end
#
# 13 ARG QD 66 GLU HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 206, 207,
&end
#
# 13 ARG QD 66 GLU HG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 206, 207,
&end
#
# 183 ARG HD3 184 PHE H 5.8
&rst
ixpk= 0, nxpk= 0, iat=2846,2859, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 183 ARG HD3 184 PHE QE 4.7
&rst
ixpk= 0, nxpk= 0, iat=2846, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2869,2873,
&end
#
# 11 TYR HB3 13 ARG H 5.55
&rst
ixpk= 0, nxpk= 0, iat= 169, 196, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 143 ARG QB 143 ARG QD 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=2248,2249,
igr2=2254,2255,
&end
#
# 120 ARG HG3 120 ARG QD 3.07
&rst
ixpk= 0, nxpk= 0, iat=1877, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1879,1880,
&end
#
# 140 ILE QG2 143 ARG QD 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2202,2203,2204,
igr2=2254,2255,
&end
#
# 183 ARG HD3 184 PHE QD 5.64
&rst
ixpk= 0, nxpk= 0, iat=2846, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2867,2875,
&end
#
# 183 ARG H 183 ARG HD2 5.1
&rst
ixpk= 0, nxpk= 0, iat=2835,2845, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 183 ARG HD2 184 PHE QE 4.64
&rst
ixpk= 0, nxpk= 0, iat=2845, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2869,2873,
&end
#
# 183 ARG HD2 184 PHE H 5.39
&rst
ixpk= 0, nxpk= 0, iat=2845,2859, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 183 ARG HD2 184 PHE QD 4.95
&rst
ixpk= 0, nxpk= 0, iat=2845, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2867,2875,
&end
#
# 141 MET HG2 142 ASP HB3 6.35
&rst
ixpk= 0, nxpk= 0, iat=2222,2237, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, &end
#
# 132 LEU HB2 135 VAL HB 5.7
&rst
ixpk= 0, nxpk= 0, iat=2070,2123, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 11 TYR HB3 103 ASN HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 169,1633, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 11 TYR HB3 104 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= 169, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1654,1655,1656,
&end
#
# 149 CYS H 170 PHE HB3 5.59
&rst
ixpk= 0, nxpk= 0, iat=2338,2650, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 120 ARG H 120 ARG QD 3.92
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1879,1880,
&end
#
# 120 ARG HG2 120 ARG QD 3.25
&rst
ixpk= 0, nxpk= 0, iat=1876, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1879,1880,
&end
#
# 150 TYR QB 169 ALA HA 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2637, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2353,2354,
&end
#
# 194 LYS QG 194 LYS QE 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=3025,3026,
igr2=3031,3032,
&end
#
# 143 ARG QB 144 LEU QB 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=2248,2249,
igr2=2272,2273,
&end
#
# 194 LYS HA 194 LYS QE 4.93
&rst
ixpk= 0, nxpk= 0, iat=3020, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=3031,3032,
&end
#
# 144 LEU QB 145 TYR QD 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=2272,2273,
igr2=2295,2304,
&end
#
# 145 TYR HB3 179 ALA QB 5.63
&rst
ixpk= 0, nxpk= 0, iat=2292, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=2789,2790,2791,
&end
#
# 194 LYS QE 195 ARG H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,3040, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=3031,3032,
&end
#
# 124 PHE HB3 125 VAL H 4.7
&rst
ixpk= 0, nxpk= 0, iat=1953,1968, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 16 PHE QE 58 TYR HB2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 268, 272,
&end
#
# 156 ASP H 156 ASP HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat=2432,2436, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 156 ASP HB2 159 LEU QD2 5.38
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=2486,2487,2488,
&end
#
# 187 LEU HB3 187 LEU QD2 3.9
&rst
ixpk= 0, nxpk= 0, iat=2917, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2925,2926,2927,
&end
#
# 187 LEU H 187 LEU HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat=2912,2917, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 187 LEU HB2 187 LEU QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=2916, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2921,2922,2923,
&end
#
# 199 LYS HB2 199 LYS QE 4.36
&rst
ixpk= 0, nxpk= 0, iat=3115, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=3124,3125,
&end
#
# 199 LYS QD 199 LYS QE 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=3121,3122,
igr2=3124,3125,
&end
#
# 199 LYS QG 199 LYS QE 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=3118,3119,
igr2=3124,3125,
&end
#
# 124 PHE QE 199 LYS QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1958,1962,
igr2=3124,3125,
&end
#
# 58 TYR HB3 59 ALA H 5.56
&rst
ixpk= 0, nxpk= 0, iat= 918, 934, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 16 PHE QE 58 TYR HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 268, 272,
&end
#
# 109 PHE HB2 137 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2159,2160,2161,
&end
#
# 156 ASP HB3 163 LYS HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=2437,2556, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 184 PHE HB2 185 VAL H 5.11
&rst
ixpk= 0, nxpk= 0, iat=2863,2879, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 109 PHE HB3 110 VAL HA 6.34
&rst
ixpk= 0, nxpk= 0, iat=1715,1732, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, &end
#
# 109 PHE HB2 151 ALA QB 5.76
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=2374,2375,2376,
&end
#
# 109 PHE HB2 138 ALA QB 5.8
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2173,2174,2175,
&end
#
# 163 LYS H 163 LYS QE 5.89
&rst
ixpk= 0, nxpk= 0, iat=2549, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2562,2563,
&end
#
# 163 LYS HA 163 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat=2551, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2562,2563,
&end
#
# 163 LYS HB3 163 LYS QE 3.91
&rst
ixpk= 0, nxpk= 0, iat=2554, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=2562,2563,
&end
#
# 197 GLU H 197 GLU HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat=3080,3088, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 197 GLU HA 197 GLU HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat=3082,3087, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 120 ARG QB 121 LYS HE3 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1907, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1873,1874,
&end
#
# 121 LYS HG3 121 LYS HE2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1901,1906, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 121 LYS HG2 121 LYS HE2 4.3
&rst
ixpk= 0, nxpk= 0, iat=1900,1906, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 117 LEU HB2 118 ASP H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1828,1843, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 36 PHE QD 72 LEU HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 570, 578,
&end
#
# 121 LYS HG2 121 LYS HE3 4.48
&rst
ixpk= 0, nxpk= 0, iat=1900,1907, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 74 ASP H 74 ASP HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat=1169,1174, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 74 ASP HB3 75 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1174,1181, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 121 LYS HB2 121 LYS HE2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1897,1906, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 74 ASP H 74 ASP HB2 4.3
&rst
ixpk= 0, nxpk= 0, iat=1169,1173, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 62 LEU HB3 63 PHE H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 988,1002, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 62 LEU HB2 63 PHE H 5.77
&rst
ixpk= 0, nxpk= 0, iat= 987,1002, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 71 ALA HA 74 ASP HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1123,1173, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 82 LYS H 82 LYS HE2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1270,1283, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 154 ASP HB3 165 ALA QB 5.47
&rst
ixpk= 0, nxpk= 0, iat=2411, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2582,2583,2584,
&end
#
# 81 GLY H 82 LYS HE3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1263,1284, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 77 ILE H 77 ILE HB 4.23
&rst
ixpk= 0, nxpk= 0, iat=1202,1206, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 76 CYS HA 77 ILE HB 5.01
&rst
ixpk= 0, nxpk= 0, iat=1193,1206, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 88 SER HB3 94 ASP QB 4.87
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1473,1474,
&end
#
# 123 ILE HB 170 PHE QE 5.78
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2655,2659,
&end
#
# 128 VAL QG1 153 ILE HB 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,2391, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2004,2005,2006,
&end
#
# 92 ILE HB 93 LYS H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1432,1447, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 92 ILE H 92 ILE HB 4.42
&rst
ixpk= 0, nxpk= 0, iat=1428,1432, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 140 ILE HB 143 ARG H 5.35
&rst
ixpk= 0, nxpk= 0, iat=2200,2244, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 103 ASN HB3 104 LEU H 5.61
&rst
ixpk= 0, nxpk= 0, iat=1636,1645, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 103 ASN HB2 105 SER H 5.6
&rst
ixpk= 0, nxpk= 0, iat=1635,1664, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 36 PHE HB3 72 LEU HG 5.3
&rst
ixpk= 0, nxpk= 0, iat= 567,1138, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 36 PHE HB2 72 LEU HG 5.82
&rst
ixpk= 0, nxpk= 0, iat= 566,1138, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 102 TRP HA 103 ASN HB3 5.62
&rst
ixpk= 0, nxpk= 0, iat=1609,1636, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 11 TYR HA 103 ASN HB2 5.74
&rst
ixpk= 0, nxpk= 0, iat= 166,1635, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 29 ILE HB 61 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 977, 978, 979,
&end
#
# 192 ILE H 192 ILE HB 4.34
&rst
ixpk= 0, nxpk= 0, iat=2987,2991, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 136 GLU H 136 GLU HG3 5.22
&rst
ixpk= 0, nxpk= 0, iat=2135,2143, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 128 VAL HA 136 GLU HG2 5.99
&rst
ixpk= 0, nxpk= 0, iat=2000,2142, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 136 GLU H 136 GLU HG2 5.33
&rst
ixpk= 0, nxpk= 0, iat=2135,2142, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 177 ILE HA 180 ILE HB 5.54
&rst
ixpk= 0, nxpk= 0, iat=2758,2799, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 177 ILE HB 178 ALA HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=2760,2777, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 177 ILE H 177 ILE HB 4.21
&rst
ixpk= 0, nxpk= 0, iat=2756,2760, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 174 GLN HA 177 ILE HB 4.29
&rst
ixpk= 0, nxpk= 0, iat=2709,2760, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 194 LYS HB2 195 ARG H 5.19
&rst
ixpk= 0, nxpk= 0, iat=3022,3040, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 24 ILE HA 28 GLU QG 6
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 432, 433,
&end
#
# 24 ILE QD1 28 GLU QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1= 380, 381, 382,
igr2= 432, 433,
&end
#
# 24 ILE QG1 28 GLU QG 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 377, 378,
igr2= 432, 433,
&end
#
# 28 GLU H 28 GLU QG 4.38
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 432, 433,
&end
#
# 25 ASP H 28 GLU QG 5.13
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 432, 433,
&end
#
# 28 GLU HA 28 GLU QG 4.24
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 432, 433,
&end
#
# 82 LYS H 82 LYS HB3 4.1
&rst
ixpk= 0, nxpk= 0, iat=1270,1275, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 79 GLU HG2 81 GLY H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1243,1263, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 79 GLU HG2 82 LYS H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1243,1270, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 78 GLU HA 78 GLU HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1223,1229, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 79 GLU HG2 81 GLY QA 5.01
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1265,1266,
&end
#
# 78 GLU HA 78 GLU HG2 4.2
&rst
ixpk= 0, nxpk= 0, iat=1223,1228, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 78 GLU H 78 GLU HG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1221,1228, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 28 GLU QG 30 THR H 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 432, 433,
&end
#
# 158 GLU HA 158 GLU HG3 3.74
&rst
ixpk= 0, nxpk= 0, iat=2460,2466, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 158 GLU HG3 159 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2466,2473, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 79 GLU HA 79 GLU HG3 4.27
&rst
ixpk= 0, nxpk= 0, iat=1238,1244, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 79 GLU HG3 82 LYS HE3 4.92
&rst
ixpk= 0, nxpk= 0, iat=1244,1284, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 78 GLU H 78 GLU HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat=1221,1229, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 26 GLU H 26 GLU HG3 6
&rst
ixpk= 0, nxpk= 0, iat= 398, 406, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLU H 26 GLU HG2 5.71
&rst
ixpk= 0, nxpk= 0, iat= 398, 405, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 125 VAL H 167 ARG HB2 5.1
&rst
ixpk= 0, nxpk= 0, iat=1968,2599, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 111 MET HB3 148 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat=1751, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2328,2329,2330,
&end
#
# 174 GLN HG3 175 SER H 5.77
&rst
ixpk= 0, nxpk= 0, iat=2715,2724, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 174 GLN HG3 178 ALA H 5.66
&rst
ixpk= 0, nxpk= 0, iat=2715,2775, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 174 GLN HA 174 GLN HG3 3.79
&rst
ixpk= 0, nxpk= 0, iat=2709,2715, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 174 GLN HG3 178 ALA QB 5.5
&rst
ixpk= 0, nxpk= 0, iat=2715, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2779,2780,2781,
&end
#
# 174 GLN HG2 177 ILE QD1 5.08
&rst
ixpk= 0, nxpk= 0, iat=2714, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2769,2770,2771,
&end
#
# 124 PHE QD 199 LYS HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,3115, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1956,1964,
&end
#
# 140 ILE QG2 141 MET HG2 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=2202,2203,2204,
&end
#
# 141 MET HG2 168 VAL QG2 5.93
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=2629,2630,2631,
&end
#
# 174 GLN HA 174 GLN HG2 4.1
&rst
ixpk= 0, nxpk= 0, iat=2709,2714, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 174 GLN HG2 178 ALA QB 5.47
&rst
ixpk= 0, nxpk= 0, iat=2714, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2779,2780,2781,
&end
#
# 180 ILE QG2 199 LYS HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3116, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2801,2802,2803,
&end
#
# 111 MET HB2 148 VAL QG1 5.87
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=2328,2329,2330,
&end
#
# 141 MET H 141 MET HG3 5.27
&rst
ixpk= 0, nxpk= 0, iat=2215,2223, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 138 ALA HA 141 MET HG3 6
&rst
ixpk= 0, nxpk= 0, iat=2171,2223, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 140 ILE H 141 MET HG2 6
&rst
ixpk= 0, nxpk= 0, iat=2196,2222, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 188 GLN H 188 GLN HG3 5.05
&rst
ixpk= 0, nxpk= 0, iat=2931,2939, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 188 GLN HG2 189 HIS H 5.52
&rst
ixpk= 0, nxpk= 0, iat=2938,2948, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 188 GLN H 188 GLN HG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=2931,2938, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 188 GLN HA 188 GLN HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=2933,2938, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 196 VAL HB 197 GLU H 4.71
&rst
ixpk= 0, nxpk= 0, iat=3068,3080, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 188 GLN HG2 193 ASP HB3 5.84
&rst
ixpk= 0, nxpk= 0, iat=2938,3011, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 198 VAL H 198 VAL HB 4.59
&rst
ixpk= 0, nxpk= 0, iat=3095,3099, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 183 ARG H 198 VAL HB 5.9
&rst
ixpk= 0, nxpk= 0, iat=2835,3099, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 17 VAL HB 20 LEU QD1 5.72
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 317, 318, 319,
&end
#
# 15 VAL HA 101 PRO QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1600,1601,
&end
#
# 17 VAL H 17 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 17 VAL HB 61 LEU QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 973, 974, 975,
&end
#
# 17 VAL HB 18 GLY H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 282, 294, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 17 VAL HB 33 PHE HZ 5.95
&rst
ixpk= 0, nxpk= 0, iat= 282, 506, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 17 VAL HB 20 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 321, 322, 323,
&end
#
# 16 PHE QD 17 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 282, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 266, 274,
&end
#
# 17 VAL HB 33 PHE QE 5.73
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 504, 508,
&end
#
# 111 MET HG3 112 ASP H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1754,1763, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 186 GLN HG3 187 LEU H 4.74
&rst
ixpk= 0, nxpk= 0, iat=2903,2912, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 16 PHE QD 100 ARG HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 266, 274,
&end
#
# 92 ILE QG2 93 LYS QB 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1434,1435,1436,
igr2=1451,1452,
&end
#
# 139 MET HB3 139 MET HG2 3.37
&rst
ixpk= 0, nxpk= 0, iat=2184,2186, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 119 PRO QB 201 TYR QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1862,1863,
igr2=3157,3162,
&end
#
# 119 PRO QB 121 LYS H 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1862,1863,
&end
#
# 186 GLN HG2 187 LEU H 4.77
&rst
ixpk= 0, nxpk= 0, iat=2902,2912, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 186 GLN HG2 186 GLN HE21 4.49
&rst
ixpk= 0, nxpk= 0, iat=2902,2908, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 197 GLU HB3 198 VAL H 5.06
&rst
ixpk= 0, nxpk= 0, iat=3085,3095, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 124 PHE QD 197 GLU HB3 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3085, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1956,1964,
&end
#
# 126 GLY QA 197 GLU HB2 4.2
&rst
ixpk= 0, nxpk= 0, iat= -1,3084, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1986,1987,
&end
#
# 167 ARG H 167 ARG QG 5.62
&rst
ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=2602,2603,
&end
#
# 139 MET HG3 140 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2202,2203,2204,
&end
#
# 38 PRO QB 39 LEU QD2 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1= 596, 597,
igr2= 616, 617, 618,
&end
#
# 115 GLN HA 115 GLN QG 3.95
&rst
ixpk= 0, nxpk= 0, iat=1795, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1800,1801,
&end
#
# 137 LEU HA 141 MET QB 5.92
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2219,2220,
&end
#
# 124 PHE HZ 197 GLU HB3 5.81
&rst
ixpk= 0, nxpk= 0, iat=1960,3085, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 138 ALA QB 139 MET HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2173,2174,2175,
&end
#
# 197 GLU HB2 198 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat=3084,3095, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 124 PHE QD 197 GLU HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,3084, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1956,1964,
&end
#
# 139 MET H 139 MET HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat=2179,2187, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 136 GLU HA 139 MET HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat=2137,2187, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 135 VAL QG1 139 MET HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2187, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2125,2126,2127,
&end
#
# 139 MET HG2 140 ILE HA 6.08
&rst
ixpk= 0, nxpk= 0, iat=2186,2198, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, &end
#
# 139 MET HG2 140 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2209,2210,2211,
&end
#
# 135 VAL QG1 139 MET HG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2125,2126,2127,
&end
#
# 116 PRO HB2 117 LEU H 4.06
&rst
ixpk= 0, nxpk= 0, iat=1817,1824, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 138 ALA QB 148 VAL HB 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=2173,2174,2175,
&end
#
# 148 VAL HB 168 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2326, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2629,2630,2631,
&end
#
# 141 MET QB 144 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1=2219,2220,
igr2=2281,2282,2283,
&end
#
# 78 GLU HB2 79 GLU H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1225,1236, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 140 ILE QG2 141 MET QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2202,2203,2204,
igr2=2219,2220,
&end
#
# 110 VAL HB 112 ASP H 5.89
&rst
ixpk= 0, nxpk= 0, iat=1734,1763, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 195 ARG HB3 195 ARG QD 4.29
&rst
ixpk= 0, nxpk= 0, iat=3045, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=3050,3051,
&end
#
# 69 VAL HB 70 GLN H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1092,1104, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 158 GLU H 158 GLU QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=2458, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=2462,2463,
&end
#
# 158 GLU QB 158 GLU HG2 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2465, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1=2462,2463,
&end
#
# 158 GLU QB 159 LEU QD2 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2462,2463,
igr2=2486,2487,2488,
&end
#
# 158 GLU QB 159 LEU H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2473, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2462,2463,
&end
#
# 72 LEU QD2 76 CYS HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1144,1145,1146,
&end
#
# 82 LYS HB3 82 LYS HD2 3.25
&rst
ixpk= 0, nxpk= 0, iat=1275,1280, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 134 ALA H 135 VAL HB 5.95
&rst
ixpk= 0, nxpk= 0, iat=2109,2123, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 149 CYS HB3 169 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2343, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2639,2640,2641,
&end
#
# 148 VAL QG2 149 CYS HB3 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=2332,2333,2334,
&end
#
# 149 CYS HB3 150 TYR H 5.18
&rst
ixpk= 0, nxpk= 0, iat=2343,2349, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 28 GLU H 28 GLU HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 143 ARG H 143 ARG QB 3.72
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=2248,2249,
&end
#
# 143 ARG QB 144 LEU H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2248,2249,
&end
#
# 182 ALA H 183 ARG HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat=2825,2840, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 115 GLN HB3 149 CYS HB3 5.62
&rst
ixpk= 0, nxpk= 0, iat=1798,2343, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 25 ASP H 28 GLU HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat= 386, 430, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 27 ASP HB3 28 GLU HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat= 418, 430, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 28 GLU HB2 29 ILE HA 5.94
&rst
ixpk= 0, nxpk= 0, iat= 429, 442, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 19 GLY H 98 GLN HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 301,1537, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 84 TYR QE 98 GLN HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1537, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1321,1326,
&end
#
# 18 GLY QA 98 GLN HB3 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 296, 297,
&end
#
# 84 TYR QE 98 GLN HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1321,1326,
&end
#
# 183 ARG H 183 ARG HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat=2835,2839, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 199 LYS H 199 LYS QD 5.43
&rst
ixpk= 0, nxpk= 0, iat=3111, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=3121,3122,
&end
#
# 115 GLN H 115 GLN HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1793,1797, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 140 ILE HA 143 ARG QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2251,2252,
&end
#
# 124 PHE QE 199 LYS QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1958,1962,
igr2=3121,3122,
&end
#
# 124 PHE QD 199 LYS QD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1956,1964,
igr2=3121,3122,
&end
#
# 199 LYS HA 199 LYS QD 5.25
&rst
ixpk= 0, nxpk= 0, iat=3113, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=3121,3122,
&end
#
# 174 GLN HG3 177 ILE HG12 4.66
&rst
ixpk= 0, nxpk= 0, iat=2715,2766, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 143 ARG H 143 ARG QG 4.46
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2251,2252,
&end
#
# 141 MET H 143 ARG QG 5.88
&rst
ixpk= 0, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=2251,2252,
&end
#
# 115 GLN HB2 115 GLN HE22 4.3
&rst
ixpk= 0, nxpk= 0, iat=1797,1805, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 115 GLN HA 115 GLN HB2 3.14
&rst
ixpk= 0, nxpk= 0, iat=1795,1797, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 136 GLU QB 140 ILE QG1 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=2139,2140,
igr2=2206,2207,
&end
#
# 140 ILE H 140 ILE QG1 5.38
&rst
ixpk= 0, nxpk= 0, iat=2196, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2206,2207,
&end
#
# 174 GLN HA 177 ILE HG13 5.09
&rst
ixpk= 0, nxpk= 0, iat=2709,2767, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 177 ILE H 177 ILE HG13 4.59
&rst
ixpk= 0, nxpk= 0, iat=2756,2767, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 89 SER H 93 LYS QD 5.31
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1457,1458,
&end
#
# 93 LYS QD 95 LYS H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1457,1458,
&end
#
# 93 LYS H 93 LYS QD 6
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1457,1458,
&end
#
# 176 TYR QD 177 ILE HG12 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2766, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2743,2752,
&end
#
# 177 ILE HG12 180 ILE QG2 5.92
&rst
ixpk= 0, nxpk= 0, iat=2766, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=2801,2802,2803,
&end
#
# 176 TYR QE 177 ILE HG12 5.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2766, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2745,2750,
&end
#
# 120 ARG HA 120 ARG HG3 4.33
&rst
ixpk= 0, nxpk= 0, iat=1871,1877, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 176 TYR H 177 ILE HG13 5.68
&rst
ixpk= 0, nxpk= 0, iat=2735,2767, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 93 LYS HA 93 LYS QD 4.33
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1457,1458,
&end
#
# 86 CYS HB3 87 VAL H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1356,1362, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 185 VAL H 186 GLN HB2 5.59
&rst
ixpk= 0, nxpk= 0, iat=2879,2899, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 128 VAL HA 132 LEU QD1 5.75
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2075,2076,2077,
&end
#
# 186 GLN HB3 186 GLN HE21 5.17
&rst
ixpk= 0, nxpk= 0, iat=2900,2908, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 186 GLN HB2 186 GLN HE22 5.8
&rst
ixpk= 0, nxpk= 0, iat=2899,2907, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 14 LYS HA 62 LEU HG 5.42
&rst
ixpk= 0, nxpk= 0, iat= 222, 990, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 62 LEU H 62 LEU HG 4.63
&rst
ixpk= 0, nxpk= 0, iat= 983, 990, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 62 LEU HA 62 LEU HG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 137 LEU QD2 138 ALA H 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=2163,2164,2165,
&end
#
# 132 LEU H 132 LEU QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2075,2076,2077,
&end
#
# 132 LEU HA 132 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2075,2076,2077,
&end
#
# 137 LEU QD2 138 ALA HA 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=2163,2164,2165,
&end
#
# 174 GLN HB3 175 SER H 4.56
&rst
ixpk= 0, nxpk= 0, iat=2712,2724, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 195 ARG HG3 196 VAL H 4.9
&rst
ixpk= 0, nxpk= 0, iat=3048,3064, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 184 PHE QD 195 ARG HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,3047, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2867,2875,
&end
#
# 77 ILE H 77 ILE HG12 4.52
&rst
ixpk= 0, nxpk= 0, iat=1202,1212, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 77 ILE HA 77 ILE HG12 4.24
&rst
ixpk= 0, nxpk= 0, iat=1204,1212, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 192 ILE H 192 ILE HG12 4.81
&rst
ixpk= 0, nxpk= 0, iat=2987,2997, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 100 ARG H 100 ARG QG 5.07
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1576,1577,
&end
#
# 99 ILE H 100 ARG QG 6
&rst
ixpk= 0, nxpk= 0, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1576,1577,
&end
#
# 16 PHE QD 100 ARG QG 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 266, 274,
igr2=1576,1577,
&end
#
# 82 LYS HG2 99 ILE H 5.53
&rst
ixpk= 0, nxpk= 0, iat=1277,1550, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 82 LYS HG2 84 TYR QD 5.28
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1319,1328,
&end
#
# 192 ILE H 192 ILE HG13 4.52
&rst
ixpk= 0, nxpk= 0, iat=2987,2998, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 195 ARG H 195 ARG HG2 6
&rst
ixpk= 0, nxpk= 0, iat=3040,3047, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 72 LEU QD2 73 ILE H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1144,1145,1146,
&end
#
# 36 PHE HA 39 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 612, 613, 614,
&end
#
# 82 LYS HG2 84 TYR HB2 6
&rst
ixpk= 0, nxpk= 0, iat=1277,1315, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 40 ILE H 40 ILE QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 632, 633,
&end
#
# 40 ILE HA 40 ILE QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 632, 633,
&end
#
# 140 ILE QG2 187 LEU QD2 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2202,2203,2204,
igr2=2925,2926,2927,
&end
#
# 82 LYS HG3 83 LEU H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1278,1292, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 92 ILE HG13 93 LYS H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1439,1447, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 187 LEU HA 187 LEU QD2 4.66
&rst
ixpk= 0, nxpk= 0, iat=2914, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2925,2926,2927,
&end
#
# 140 ILE QG2 187 LEU HG 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2919, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2202,2203,2204,
&end
#
# 20 LEU QD1 29 ILE HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 317, 318, 319,
&end
#
# 159 LEU HA 159 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat=2475, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2482,2483,2484,
&end
#
# 159 LEU H 159 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2482,2483,2484,
&end
#
# 20 LEU QD1 59 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 317, 318, 319,
&end
#
# 20 LEU QD1 29 ILE HG12 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 317, 318, 319,
&end
#
# 19 GLY H 20 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 317, 318, 319,
&end
#
# 20 LEU QD1 29 ILE HB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 317, 318, 319,
&end
#
# 137 LEU HA 137 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2159,2160,2161,
&end
#
# 137 LEU QD1 141 MET HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2223, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2159,2160,2161,
&end
#
# 39 LEU QD2 61 LEU QD1 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 616, 617, 618,
igr2= 973, 974, 975,
&end
#
# 141 MET HA 144 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2281,2282,2283,
&end
#
# 144 LEU HA 144 LEU QD2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2281,2282,2283,
&end
#
# 137 LEU QD1 166 GLY QA 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=2159,2160,2161,
igr2=2590,2591,
&end
#
# 38 PRO HA 39 LEU QD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 616, 617, 618,
&end
#
# 39 LEU QD2 40 ILE H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 616, 617, 618,
&end
#
# 39 LEU HA 39 LEU QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 616, 617, 618,
&end
#
# 180 ILE HG13 181 SER H 5.55
&rst
ixpk= 0, nxpk= 0, iat=2806,2814, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 11 TYR QD 104 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 172, 181,
igr2=1658,1659,1660,
&end
#
# 103 ASN HA 104 LEU QD2 5.7
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1658,1659,1660,
&end
#
# 104 LEU HA 104 LEU QD2 4.4
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1658,1659,1660,
&end
#
# 180 ILE HG12 181 SER H 5.26
&rst
ixpk= 0, nxpk= 0, iat=2805,2814, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 72 LEU HA 85 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1345,1346,1347,
&end
#
# 132 LEU QD2 133 ARG H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2079,2080,2081,
&end
#
# 132 LEU H 132 LEU QD2 5.51
&rst
ixpk= 0, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2079,2080,2081,
&end
#
# 62 LEU H 62 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 983, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 992, 993, 994,
&end
#
# 40 ILE H 62 LEU QD1 5.72
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 992, 993, 994,
&end
#
# 62 LEU HA 62 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 992, 993, 994,
&end
#
# 132 LEU HB2 132 LEU QD2 3.23
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2079,2080,2081,
&end
#
# 156 ASP HB2 163 LYS HG3 5.32
&rst
ixpk= 0, nxpk= 0, iat=2436,2557, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 159 LEU QD2 163 LYS HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2486,2487,2488,
&end
#
# 85 LEU QD2 86 CYS H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1345,1346,1347,
&end
#
# 84 TYR HA 85 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1345,1346,1347,
&end
#
# 85 LEU HA 85 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1345,1346,1347,
&end
#
# 85 LEU QD2 99 ILE QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1345,1346,1347,
igr2=1563,1564,1565,
&end
#
# 73 ILE HA 85 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1345,1346,1347,
&end
#
# 117 LEU QD1 118 ASP H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1833,1834,1835,
&end
#
# 117 LEU QD1 150 TYR H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1833,1834,1835,
&end
#
# 117 LEU QD1 150 TYR QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1833,1834,1835,
igr2=2357,2366,
&end
#
# 117 LEU QD1 150 TYR QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1833,1834,1835,
igr2=2359,2364,
&end
#
# 29 ILE HG13 30 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat= 451, 461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 LYS HG3 163 LYS QE 3.81
&rst
ixpk= 0, nxpk= 0, iat=2557, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2562,2563,
&end
#
# 194 LYS HB2 194 LYS QG 3.35
&rst
ixpk= 0, nxpk= 0, iat=3022, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=3025,3026,
&end
#
# 89 SER H 93 LYS QG 5.79
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1454,1455,
&end
#
# 29 ILE HG13 61 LEU QD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 973, 974, 975,
&end
#
# 61 LEU HA 61 LEU QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 973, 974, 975,
&end
#
# 61 LEU H 61 LEU QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 973, 974, 975,
&end
#
# 33 PHE HB3 61 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 973, 974, 975,
&end
#
# 17 VAL QG2 61 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 288, 289, 290,
igr2= 973, 974, 975,
&end
#
# 20 LEU QD2 29 ILE HG13 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 321, 322, 323,
&end
#
# 124 PHE QD 199 LYS QG 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1956,1964,
igr2=3118,3119,
&end
#
# 199 LYS H 199 LYS QG 5.14
&rst
ixpk= 0, nxpk= 0, iat=3111, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=3118,3119,
&end
#
# 29 ILE HG12 30 THR HA 4.6
&rst
ixpk= 0, nxpk= 0, iat= 450, 461, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 194 LYS QG 195 ARG H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,3040, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=3025,3026,
&end
#
# 151 ALA QB 169 ALA H 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2635, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=2374,2375,2376,
&end
#
# 151 ALA H 151 ALA QB 4.22
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2374,2375,2376,
&end
#
# 148 VAL HA 151 ALA QB 5.48
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2374,2375,2376,
&end
#
# 109 PHE HB3 151 ALA QB 5.5
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2374,2375,2376,
&end
#
# 109 PHE QD 151 ALA QB 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1718,1726,
igr2=2374,2375,2376,
&end
#
# 151 ALA QB 152 GLY H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2380, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2374,2375,2376,
&end
#
# 102 TRP HE1 104 LEU QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1617, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1654,1655,1656,
&end
#
# 104 LEU QD1 105 SER H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1654,1655,1656,
&end
#
# 104 LEU H 104 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1654,1655,1656,
&end
#
# 103 ASN H 104 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1654,1655,1656,
&end
#
# 20 LEU QD2 28 GLU QG 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 321, 322, 323,
igr2= 432, 433,
&end
#
# 158 GLU HG2 159 LEU QD2 4.04
&rst
ixpk= 0, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2486,2487,2488,
&end
#
# 20 LEU QD2 29 ILE HB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 321, 322, 323,
&end
#
# 20 LEU QB 20 LEU QD2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 312, 313,
igr2= 321, 322, 323,
&end
#
# 20 LEU QD2 59 ALA QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 321, 322, 323,
igr2= 938, 939, 940,
&end
#
# 20 LEU QD2 33 PHE QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 321, 322, 323,
igr2= 504, 508,
&end
#
# 140 ILE QG2 187 LEU QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2202,2203,2204,
igr2=2921,2922,2923,
&end
#
# 102 TRP HD1 104 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1654,1655,1656,
&end
#
# 20 LEU QD2 24 ILE QG1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 321, 322, 323,
igr2= 377, 378,
&end
#
# 18 GLY QA 20 LEU QD2 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 296, 297,
igr2= 321, 322, 323,
&end
#
# 159 LEU H 159 LEU QD2 4.8
&rst
ixpk= 0, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2486,2487,2488,
&end
#
# 20 LEU QD2 29 ILE HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 321, 322, 323,
&end
#
# 187 LEU H 187 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat=2912, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2921,2922,2923,
&end
#
# 14 LYS HA 15 VAL QG2 5.85
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2= 252, 253, 254,
&end
#
# 156 ASP HA 159 LEU QD2 5.96
&rst
ixpk= 0, nxpk= 0, iat=2434, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2486,2487,2488,
&end
#
# 126 GLY H 198 VAL QG2 4.6
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=3105,3106,3107,
&end
#
# 198 VAL H 198 VAL QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=3095, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=3105,3106,3107,
&end
#
# 198 VAL HA 198 VAL QG2 3.79
&rst
ixpk= 0, nxpk= 0, iat=3097, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=3105,3106,3107,
&end
#
# 196 VAL HB 198 VAL QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=3068, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=3105,3106,3107,
&end
#
# 123 ILE H 169 ALA QB 5.52
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2639,2640,2641,
&end
#
# 169 ALA H 169 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat=2635, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2639,2640,2641,
&end
#
# 122 THR H 169 ALA QB 5.73
&rst
ixpk= 0, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=2639,2640,2641,
&end
#
# 150 TYR QD 169 ALA QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2357,2366,
igr2=2639,2640,2641,
&end
#
# 150 TYR QE 169 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=2359,2364,
igr2=2639,2640,2641,
&end
#
# 122 THR HA 169 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2639,2640,2641,
&end
#
# 122 THR HB 169 ALA QB 5.48
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2639,2640,2641,
&end
#
# 15 VAL QG2 61 LEU H 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 252, 253, 254,
&end
#
# 15 VAL QG2 69 VAL HA 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 252, 253, 254,
&end
#
# 15 VAL QG2 101 PRO HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 252, 253, 254,
&end
#
# 69 VAL H 69 VAL QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1098,1099,1100,
&end
#
# 13 ARG HA 69 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1098,1099,1100,
&end
#
# 65 ASP H 69 VAL QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1098,1099,1100,
&end
#
# 168 VAL QG1 170 PHE QE 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2625,2626,2627,
igr2=2655,2659,
&end
#
# 180 ILE HA 198 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=2797, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=3105,3106,3107,
&end
#
# 124 PHE QE 125 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1958,1962,
igr2=1974,1975,1976,
&end
#
# 69 VAL QG2 73 ILE QD1 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1=1098,1099,1100,
igr2=1163,1164,1165,
&end
#
# 11 TYR QD 69 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 172, 181,
igr2=1098,1099,1100,
&end
#
# 97 VAL H 97 VAL QG1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1523,1524,1525,
&end
#
# 33 PHE HZ 97 VAL QG1 5.63
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=1523,1524,1525,
&end
#
# 41 VAL QG1 42 ASP H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 647, 648, 649,
&end
#
# 15 VAL HA 15 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 248, 249, 250,
&end
#
# 41 VAL HA 41 VAL QG1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 647, 648, 649,
&end
#
# 168 VAL H 168 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2625,2626,2627,
&end
#
# 144 LEU QD1 145 TYR QD 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2277,2278,2279,
igr2=2295,2304,
&end
#
# 141 MET HA 144 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2277,2278,2279,
&end
#
# 144 LEU QB 144 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2272,2273,
igr2=2277,2278,2279,
&end
#
# 140 ILE HA 144 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2277,2278,2279,
&end
#
# 125 VAL QG1 137 LEU HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2152, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1974,1975,1976,
&end
#
# 128 VAL QG1 165 ALA HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2580, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2004,2005,2006,
&end
#
# 128 VAL QG1 136 GLU HG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2004,2005,2006,
&end
#
# 128 VAL QG1 167 ARG H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2004,2005,2006,
&end
#
# 123 ILE H 168 VAL QG2 5.9
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2629,2630,2631,
&end
#
# 151 ALA HA 168 VAL QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2629,2630,2631,
&end
#
# 151 ALA QB 168 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=2374,2375,2376,
igr2=2629,2630,2631,
&end
#
# 19 GLY QA 97 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 303, 304,
igr2=1523,1524,1525,
&end
#
# 15 VAL QG1 73 ILE QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 248, 249, 250,
igr2=1163,1164,1165,
&end
#
# 141 MET HG3 168 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2625,2626,2627,
&end
#
# 142 ASP HA 148 VAL QG1 5.94
&rst
ixpk= 0, nxpk= 0, iat=2234, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=2328,2329,2330,
&end
#
# 143 ARG QD 144 LEU QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1=2254,2255,
igr2=2277,2278,2279,
&end
#
# 143 ARG H 144 LEU QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2277,2278,2279,
&end
#
# 168 VAL QG2 169 ALA H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2635, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2629,2630,2631,
&end
#
# 150 TYR H 168 VAL QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2629,2630,2631,
&end
#
# 138 ALA HA 168 VAL QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2629,2630,2631,
&end
#
# 141 MET HG3 168 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2629,2630,2631,
&end
#
# 152 GLY H 168 VAL QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2629,2630,2631,
&end
#
# 168 VAL H 168 VAL QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2629,2630,2631,
&end
#
# 168 VAL HA 168 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2621, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2629,2630,2631,
&end
#
# 15 VAL QG1 16 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 248, 249, 250,
&end
#
# 15 VAL QG1 101 PRO HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 248, 249, 250,
&end
#
# 15 VAL QG1 16 PHE HB3 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 263, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 248, 249, 250,
&end
#
# 184 PHE H 185 VAL QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat=2859, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2885,2886,2887,
&end
#
# 185 VAL H 185 VAL QG1 4.3
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2885,2886,2887,
&end
#
# 185 VAL QG1 186 GLN H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2895, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2885,2886,2887,
&end
#
# 185 VAL QG1 186 GLN HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2899, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=2885,2886,2887,
&end
#
# 30 THR QG2 33 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 465, 466, 467,
&end
#
# 30 THR QG2 31 ALA HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 465, 466, 467,
&end
#
# 30 THR QG2 39 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 465, 466, 467,
igr2= 616, 617, 618,
&end
#
# 184 PHE HA 185 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat=2861, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2885,2886,2887,
&end
#
# 29 ILE HG13 61 LEU QD2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 977, 978, 979,
&end
#
# 17 VAL QG2 61 LEU QD2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 288, 289, 290,
igr2= 977, 978, 979,
&end
#
# 61 LEU H 61 LEU QD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 977, 978, 979,
&end
#
# 43 TRP HZ3 61 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 977, 978, 979,
&end
#
# 15 VAL HB 61 LEU QD2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 977, 978, 979,
&end
#
# 109 PHE H 110 VAL QG2 5.89
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1740,1741,1742,
&end
#
# 110 VAL QG2 151 ALA H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1740,1741,1742,
&end
#
# 110 VAL H 110 VAL QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1740,1741,1742,
&end
#
# 110 VAL QG2 150 TYR QD 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1740,1741,1742,
igr2=2357,2366,
&end
#
# 110 VAL QG2 150 TYR QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1740,1741,1742,
igr2=2359,2364,
&end
#
# 110 VAL QG2 150 TYR QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1740,1741,1742,
igr2=2353,2354,
&end
#
# 110 VAL QG2 117 LEU QD1 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1=1740,1741,1742,
igr2=1833,1834,1835,
&end
#
# 110 VAL QG2 112 ASP H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1740,1741,1742,
&end
#
# 125 VAL QG2 166 GLY H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1978,1979,1980,
&end
#
# 17 VAL QG1 18 GLY H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 284, 285, 286,
&end
#
# 17 VAL QG1 59 ALA H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 284, 285, 286,
&end
#
# 17 VAL H 17 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 284, 285, 286,
&end
#
# 17 VAL QG1 20 LEU HA 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 310, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 284, 285, 286,
&end
#
# 17 VAL QG1 33 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 284, 285, 286,
igr2= 504, 508,
&end
#
# 17 VAL HA 17 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 284, 285, 286,
&end
#
# 17 VAL QG1 97 VAL HB 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 284, 285, 286,
&end
#
# 17 VAL QG1 61 LEU QD2 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 284, 285, 286,
igr2= 977, 978, 979,
&end
#
# 17 VAL QG2 61 LEU H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 288, 289, 290,
&end
#
# 17 VAL QG2 59 ALA H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 288, 289, 290,
&end
#
# 17 VAL H 17 VAL QG2 4.6
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 288, 289, 290,
&end
#
# 17 VAL QG2 33 PHE QD 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1= 288, 289, 290,
igr2= 502, 510,
&end
#
# 17 VAL QG2 33 PHE QE 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 288, 289, 290,
igr2= 504, 508,
&end
#
# 17 VAL QG2 33 PHE HZ 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 288, 289, 290,
&end
#
# 17 VAL QG2 18 GLY H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 288, 289, 290,
&end
#
# 17 VAL QG2 100 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 288, 289, 290,
&end
#
# 69 VAL H 69 VAL QG1 5.27
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1094,1095,1096,
&end
#
# 66 GLU HG2 69 VAL QG1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1094,1095,1096,
&end
#
# 69 VAL QG1 70 GLN H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1094,1095,1096,
&end
#
# 185 VAL H 185 VAL QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2889,2890,2891,
&end
#
# 198 VAL HA 198 VAL QG1 4.61
&rst
ixpk= 0, nxpk= 0, iat=3097, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=3101,3102,3103,
&end
#
# 180 ILE HA 198 VAL QG1 5.36
&rst
ixpk= 0, nxpk= 0, iat=2797, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=3101,3102,3103,
&end
#
# 110 VAL H 110 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1736,1737,1738,
&end
#
# 110 VAL QG1 112 ASP H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1763, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1736,1737,1738,
&end
#
# 110 VAL QG1 111 MET H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1736,1737,1738,
&end
#
# 110 VAL QG1 150 TYR QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1736,1737,1738,
igr2=2357,2366,
&end
#
# 123 ILE QG2 169 ALA HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2637, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1935,1936,1937,
&end
#
# 123 ILE QG2 124 PHE H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1935,1936,1937,
&end
#
# 125 VAL QG2 199 LYS H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,3111, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1978,1979,1980,
&end
#
# 123 ILE HA 125 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1978,1979,1980,
&end
#
# 135 VAL QG1 136 GLU HG2 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2125,2126,2127,
&end
#
# 135 VAL QG1 139 MET H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=2125,2126,2127,
&end
#
# 72 LEU QD2 75 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1144,1145,1146,
igr2=1185,1186,1187,
&end
#
# 97 VAL HA 97 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1527,1528,1529,
&end
#
# 97 VAL H 97 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1517, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1527,1528,1529,
&end
#
# 17 VAL QG1 97 VAL QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 284, 285, 286,
igr2=1527,1528,1529,
&end
#
# 18 GLY H 97 VAL QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1527,1528,1529,
&end
#
# 20 LEU HA 97 VAL QG2 5.98
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1527,1528,1529,
&end
#
# 33 PHE HB2 87 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1372,1373,1374,
&end
#
# 126 GLY H 198 VAL QG1 5.81
&rst
ixpk= 0, nxpk= 0, iat=1984, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=3101,3102,3103,
&end
#
# 198 VAL H 198 VAL QG1 4.36
&rst
ixpk= 0, nxpk= 0, iat=3095, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=3101,3102,3103,
&end
#
# 33 PHE QE 87 VAL QG1 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1= 504, 508,
igr2=1368,1369,1370,
&end
#
# 86 CYS HA 87 VAL QG1 5.5
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1368,1369,1370,
&end
#
# 75 ALA QB 76 CYS HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1185,1186,1187,
&end
#
# 74 ASP H 75 ALA QB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1185,1186,1187,
&end
#
# 123 ILE QD1 171 SER HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2667, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1942,1943,1944,
&end
#
# 123 ILE QD1 170 PHE QE 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1942,1943,1944,
igr2=2655,2659,
&end
#
# 123 ILE QD1 170 PHE HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2647, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1942,1943,1944,
&end
#
# 123 ILE QD1 176 TYR HB2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1942,1943,1944,
&end
#
# 123 ILE HB 123 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1942,1943,1944,
&end
#
# 123 ILE QD1 176 TYR HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2740, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1942,1943,1944,
&end
#
# 119 PRO QB 122 THR QG2 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
igr1=1862,1863,
igr2=1921,1922,1923,
&end
#
# 122 THR QG2 168 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1921,1922,1923,
&end
#
# 122 THR QG2 169 ALA HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2637, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1921,1922,1923,
&end
#
# 133 ARG HA 135 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2087, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2129,2130,2131,
&end
#
# 135 VAL QG2 138 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2129,2130,2131,
&end
#
# 182 ALA QB 184 PHE H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2859, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2829,2830,2831,
&end
#
# 30 THR HA 31 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 477, 478, 479,
&end
#
# 109 PHE QD 138 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1718,1726,
igr2=2173,2174,2175,
&end
#
# 138 ALA QB 148 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=2173,2174,2175,
igr2=2332,2333,2334,
&end
#
# 176 TYR HA 179 ALA QB 4.9
&rst
ixpk= 0, nxpk= 0, iat=2737, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2789,2790,2791,
&end
#
# 170 PHE HZ 179 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat=2657, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2789,2790,2791,
&end
#
# 178 ALA HA 179 ALA QB 5.35
&rst
ixpk= 0, nxpk= 0, iat=2777, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2789,2790,2791,
&end
#
# 179 ALA QB 180 ILE HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2797, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2789,2790,2791,
&end
#
# 179 ALA QB 180 ILE QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=2789,2790,2791,
igr2=2801,2802,2803,
&end
#
# 176 TYR QD 180 ILE QG2 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=2743,2752,
igr2=2801,2802,2803,
&end
#
# 176 TYR QE 180 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2745,2750,
igr2=2801,2802,2803,
&end
#
# 31 ALA QB 32 SER HB2 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 477, 478, 479,
&end
#
# 28 GLU QG 31 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 432, 433,
igr2= 477, 478, 479,
&end
#
# 77 ILE H 77 ILE QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1208,1209,1210,
&end
#
# 89 SER H 92 ILE QG2 5.4
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1434,1435,1436,
&end
#
# 40 ILE QG2 40 ILE QG1 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 628, 629, 630,
igr2= 632, 633,
&end
#
# 107 SER HA 134 ALA QB 5.3
&rst
ixpk= 0, nxpk= 0, iat=1689, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2113,2114,2115,
&end
#
# 109 PHE HB2 134 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2113,2114,2115,
&end
#
# 192 ILE QG2 192 ILE HG13 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2998, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=2993,2994,2995,
&end
#
# 192 ILE QG2 192 ILE HG12 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2997, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2993,2994,2995,
&end
#
# 140 ILE QG2 140 ILE QG1 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2202,2203,2204,
igr2=2206,2207,
&end
#
# 177 ILE QG2 180 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2795, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2762,2763,2764,
&end
#
# 192 ILE QG2 193 ASP H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,3006, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2993,2994,2995,
&end
#
# 174 GLN HG3 177 ILE QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=2715, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2762,2763,2764,
&end
#
# 99 ILE H 99 ILE QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1556,1557,1558,
&end
#
# 99 ILE QG2 100 ARG HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1556,1557,1558,
&end
#
# 99 ILE QG2 100 ARG QG 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1556,1557,1558,
igr2=1576,1577,
&end
#
# 61 LEU QD1 99 ILE QG2 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 973, 974, 975,
igr2=1556,1557,1558,
&end
#
# 26 GLU HA 29 ILE QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 446, 447, 448,
&end
#
# 29 ILE H 29 ILE QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 446, 447, 448,
&end
#
# 177 ILE QG2 177 ILE HG12 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2766, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=2762,2763,2764,
&end
#
# 177 ILE QG2 180 ILE QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=2762,2763,2764,
igr2=2801,2802,2803,
&end
#
# 176 TYR QD 177 ILE QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=2743,2752,
igr2=2762,2763,2764,
&end
#
# 176 TYR QE 177 ILE QG2 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1=2745,2750,
igr2=2762,2763,2764,
&end
#
# 177 ILE QG2 177 ILE HG13 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=2762,2763,2764,
&end
#
# 28 GLU HA 29 ILE QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 446, 447, 448,
&end
#
# 29 ILE QG2 32 SER HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 446, 447, 448,
&end
#
# 70 GLN HE22 73 ILE QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1156,1157,1158,
&end
#
# 70 GLN HA 73 ILE QG2 5.52
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1156,1157,1158,
&end
#
# 24 ILE QD1 25 ASP H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 380, 381, 382,
&end
#
# 24 ILE HA 24 ILE QD1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 380, 381, 382,
&end
#
# 140 ILE QD1 141 MET H 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=2209,2210,2211,
&end
#
# 140 ILE QD1 141 MET HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2217, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2209,2210,2211,
&end
#
# 137 LEU H 140 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2209,2210,2211,
&end
#
# 24 ILE QG1 53 PHE QD 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 377, 378,
igr2= 844, 852,
&end
#
# 24 ILE QG1 25 ASP H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 377, 378,
&end
#
# 26 GLU HA 29 ILE QD1 4.8
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 453, 454, 455,
&end
#
# 29 ILE HB 29 ILE QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 453, 454, 455,
&end
#
# 24 ILE H 24 ILE QG1 4.8
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 377, 378,
&end
#
# 24 ILE HA 24 ILE QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 377, 378,
&end
#
# 20 LEU HA 24 ILE QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 377, 378,
&end
#
# 29 ILE QD1 36 PHE HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 453, 454, 455,
&end
#
# 29 ILE QD1 30 THR H 5.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 453, 454, 455,
&end
#
# 26 GLU H 29 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 453, 454, 455,
&end
#
# 29 ILE QD1 43 TRP HZ3 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 453, 454, 455,
&end
#
# 29 ILE QD1 43 TRP HZ2 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 682, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 453, 454, 455,
&end
#
# 29 ILE QD1 61 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 453, 454, 455,
igr2= 977, 978, 979,
&end
#
# 77 ILE H 77 ILE QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1215,1216,1217,
&end
#
# 40 ILE H 40 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 635, 636, 637,
&end
#
# 40 ILE HA 40 ILE QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 635, 636, 637,
&end
#
# 73 ILE H 73 ILE QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1163,1164,1165,
&end
#
# 73 ILE QD1 101 PRO HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1163,1164,1165,
&end
#
# 69 VAL QG1 73 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1094,1095,1096,
igr2=1163,1164,1165,
&end
#
# 192 ILE HA 192 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=2989, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=3000,3001,3002,
&end
#
# 180 ILE QD1 199 LYS HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,3116, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=2808,2809,2810,
&end
#
# 171 SER HA 180 ILE QD1 5.36
&rst
ixpk= 0, nxpk= 0, iat=2667, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2808,2809,2810,
&end
#
# 174 GLN HG3 177 ILE QD1 5.1
&rst
ixpk= 0, nxpk= 0, iat=2715, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2769,2770,2771,
&end
#
# 18 GLY H 99 ILE QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1563,1564,1565,
&end
#
# 176 TYR QD 177 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2743,2752,
igr2=2769,2770,2771,
&end
#
# 17 VAL QG1 99 ILE QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 284, 285, 286,
igr2=1563,1564,1565,
&end
#
# 43 TRP H 43 TRP HE1 5.52
&rst
ixpk= 0, nxpk= 0, iat= 669, 679, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 41 VAL QG2 43 TRP HE1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 651, 652, 653,
&end
#
# 150 TYR QB 169 ALA H 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2635, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=2353,2354,
&end
#
# 151 ALA H 169 ALA H 5.62
&rst
ixpk= 0, nxpk= 0, iat=2370,2635, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 150 TYR H 169 ALA H 5.62
&rst
ixpk= 0, nxpk= 0, iat=2349,2635, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 150 TYR QD 169 ALA H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2635, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2357,2366,
&end
#
# 122 THR HA 169 ALA H 5.7
&rst
ixpk= 0, nxpk= 0, iat=1917,2635, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 151 ALA HA 169 ALA H 4.95
&rst
ixpk= 0, nxpk= 0, iat=2372,2635, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 168 VAL QG1 169 ALA H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2635, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2625,2626,2627,
&end
#
# 102 TRP HE1 104 LEU HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1617,1647, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 128 VAL QG1 154 ASP H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2406, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2004,2005,2006,
&end
#
# 154 ASP H 167 ARG H 5.84
&rst
ixpk= 0, nxpk= 0, iat=2406,2595, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 154 ASP H 154 ASP HB2 4.6
&rst
ixpk= 0, nxpk= 0, iat=2406,2410, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 154 ASP H 155 THR QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat=2406, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2424,2425,2426,
&end
#
# 187 LEU H 187 LEU QQD 4.6
&rst
ixpk= 0, nxpk= 0, iat=2912, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2921,2922,2923,2925,2926,2927,
&end
#
# 109 PHE HB3 110 VAL H 5.9
&rst
ixpk= 0, nxpk= 0, iat=1715,1730, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 109 PHE HB2 110 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1714,1730, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 110 VAL H 110 VAL HB 4.27
&rst
ixpk= 0, nxpk= 0, iat=1730,1734, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 109 PHE H 110 VAL H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1710,1730, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 102 TRP HB2 103 ASN H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1611,1631, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 193 ASP H 194 LYS H 5.49
&rst
ixpk= 0, nxpk= 0, iat=3006,3018, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 192 ILE HB 193 ASP H 5.32
&rst
ixpk= 0, nxpk= 0, iat=2991,3006, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 192 ILE HG13 193 ASP H 5.67
&rst
ixpk= 0, nxpk= 0, iat=2998,3006, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 103 ASN H 103 ASN HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat=1631,1636, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 103 ASN H 103 ASN HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1631,1635, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 150 TYR QD 151 ALA H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=2357,2366,
&end
#
# 150 TYR QB 151 ALA H 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2353,2354,
&end
#
# 148 VAL QG2 151 ALA H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2370, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2332,2333,2334,
&end
#
# 16 PHE H 16 PHE QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 266, 274,
&end
#
# 16 PHE H 101 PRO HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 258,1603, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 15 VAL QG2 16 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 252, 253, 254,
&end
#
# 16 PHE H 100 ARG QG 5.69
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1576,1577,
&end
#
# 111 MET H 150 TYR QD 5.76
&rst
ixpk= 0, nxpk= 0, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2357,2366,
&end
#
# 111 MET H 150 TYR QB 5.81
&rst
ixpk= 0, nxpk= 0, iat=1746, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2353,2354,
&end
#
# 111 MET H 150 TYR HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1746,2351, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 111 MET H 112 ASP HA 5.59
&rst
ixpk= 0, nxpk= 0, iat=1746,1765, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 111 MET H 111 MET HG3 5.55
&rst
ixpk= 0, nxpk= 0, iat=1746,1754, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 110 VAL QG2 111 MET H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1740,1741,1742,
&end
#
# 195 ARG H 195 ARG QD 5.43
&rst
ixpk= 0, nxpk= 0, iat=3040, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=3050,3051,
&end
#
# 195 ARG H 196 VAL H 5.31
&rst
ixpk= 0, nxpk= 0, iat=3040,3064, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 194 LYS HA 195 ARG H 4.02
&rst
ixpk= 0, nxpk= 0, iat=3020,3040, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 17 VAL HA 99 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= 280,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 VAL HB 16 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= 246, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 85 LEU H 99 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat=1332,1550, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 TYR QD 99 ILE H 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1550, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1319,1328,
&end
#
# 150 TYR H 151 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2374,2375,2376,
&end
#
# 150 TYR H 151 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2349,2370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 TYR H 150 TYR QD 5.47
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2357,2366,
&end
#
# 149 CYS H 150 TYR H 4.44
&rst
ixpk= 0, nxpk= 0, iat=2338,2349, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 148 VAL HA 150 TYR H 4.79
&rst
ixpk= 0, nxpk= 0, iat=2324,2349, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 148 VAL QG2 150 TYR H 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1,2349, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2332,2333,2334,
&end
#
# 78 GLU HA 79 GLU H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1223,1236, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 79 GLU H 79 GLU HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1236,1240, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 17 VAL H 61 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= 278, 964, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 PHE HB2 17 VAL H 5.57
&rst
ixpk= 0, nxpk= 0, iat= 262, 278, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 16 PHE H 17 VAL H 5.75
&rst
ixpk= 0, nxpk= 0, iat= 258, 278, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 16 PHE HB3 17 VAL H 5.98
&rst
ixpk= 0, nxpk= 0, iat= 263, 278, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 15 VAL H 62 LEU HA 5.64
&rst
ixpk= 0, nxpk= 0, iat= 242, 985, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 15 VAL H 15 VAL QG1 5.94
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2= 248, 249, 250,
&end
#
# 15 VAL H 16 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= 242, 258, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 186 GLN H 187 LEU H 5.66
&rst
ixpk= 0, nxpk= 0, iat=2895,2912, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 185 VAL HA 186 GLN H 3.75
&rst
ixpk= 0, nxpk= 0, iat=2881,2895, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 186 GLN H 186 GLN HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat=2895,2900, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 186 GLN H 186 GLN HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2895,2899, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 185 VAL QG2 186 GLN H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2895, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2889,2890,2891,
&end
#
# 16 PHE QD 17 VAL H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 278, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 266, 274,
&end
#
# 16 PHE H 100 ARG H 5.87
&rst
ixpk= 0, nxpk= 0, iat= 258,1569, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 16 PHE QD 100 ARG H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 266, 274,
&end
#
# 78 GLU H 79 GLU H 5.2
&rst
ixpk= 0, nxpk= 0, iat=1221,1236, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 77 ILE H 78 GLU H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1202,1221, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 78 GLU H 78 GLU HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat=1221,1226, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 77 ILE HG12 78 GLU H 5.4
&rst
ixpk= 0, nxpk= 0, iat=1212,1221, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 17 VAL H 100 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= 278,1569, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 ARG H 14 LYS HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 196, 222, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 13 ARG H 13 ARG QD 5.39
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 206, 207,
&end
#
# 13 ARG H 62 LEU HB2 5.96
&rst
ixpk= 0, nxpk= 0, iat= 196, 987, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 13 ARG H 69 VAL QG2 5.81
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1098,1099,1100,
&end
#
# 13 ARG H 104 LEU QD2 5.99
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1658,1659,1660,
&end
#
# 124 PHE H 125 VAL H 5.57
&rst
ixpk= 0, nxpk= 0, iat=1948,1968, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 125 VAL H 167 ARG H 5.99
&rst
ixpk= 0, nxpk= 0, iat=1968,2595, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 125 VAL H 125 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat=1968,1972, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 66 GLU H 67 SER H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1051,1066, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 65 ASP HB2 66 GLU H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1043,1051, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 66 GLU H 69 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1098,1099,1100,
&end
#
# 13 ARG QD 66 GLU H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 206, 207,
&end
#
# 65 ASP HB3 66 GLU H 5.57
&rst
ixpk= 0, nxpk= 0, iat=1044,1051, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 41 VAL HB 42 ASP H 5.51
&rst
ixpk= 0, nxpk= 0, iat= 645, 657, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 42 ASP H 43 TRP HH2 6
&rst
ixpk= 0, nxpk= 0, iat= 657, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ASP H 61 LEU HA 5.3
&rst
ixpk= 0, nxpk= 0, iat= 657, 966, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 41 VAL QG2 42 ASP H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 651, 652, 653,
&end
#
# 42 ASP H 61 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 977, 978, 979,
&end
#
# 93 LYS H 94 ASP H 5.99
&rst
ixpk= 0, nxpk= 0, iat=1447,1469, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 88 SER HA 93 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=1380,1447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 LYS H 93 LYS QB 3.91
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1451,1452,
&end
#
# 92 ILE HG12 93 LYS H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1438,1447, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 134 ALA H 135 VAL H 5.7
&rst
ixpk= 0, nxpk= 0, iat=2109,2119, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 134 ALA H 135 VAL QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2129,2130,2131,
&end
#
# 116 PRO HA 118 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=1820,1843, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ASP H 26 GLU HA 6
&rst
ixpk= 0, nxpk= 0, iat= 386, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 118 ASP H 122 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1921,1922,1923,
&end
#
# 118 ASP H 121 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=1843,1893, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 117 LEU HA 118 ASP H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1826,1843, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 25 ASP H 28 GLU H 5.66
&rst
ixpk= 0, nxpk= 0, iat= 386, 425, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 25 ASP H 28 GLU HA 6
&rst
ixpk= 0, nxpk= 0, iat= 386, 427, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 ASP H 25 ASP HB2 4.6
&rst
ixpk= 0, nxpk= 0, iat= 386, 390, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 25 ASP H 28 GLU HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 386, 429, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 177 ILE H 178 ALA H 4.46
&rst
ixpk= 0, nxpk= 0, iat=2756,2775, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 178 ALA H 180 ILE H 5.49
&rst
ixpk= 0, nxpk= 0, iat=2775,2795, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 178 ALA H 179 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat=2775,2785, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 175 SER HA 178 ALA H 4.82
&rst
ixpk= 0, nxpk= 0, iat=2726,2775, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 177 ILE HB 178 ALA H 4.36
&rst
ixpk= 0, nxpk= 0, iat=2760,2775, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 178 ALA H 178 ALA QB 3.92
&rst
ixpk= 0, nxpk= 0, iat=2775, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2779,2780,2781,
&end
#
# 175 SER H 178 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2724,2775, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 THR H 92 ILE H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1414,1428, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 88 SER HA 92 ILE H 5.9
&rst
ixpk= 0, nxpk= 0, iat=1380,1428, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 92 ILE H 93 LYS H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1428,1447, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 102 TRP H 103 ASN H 6
&rst
ixpk= 0, nxpk= 0, iat=1607,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 89 SER H 92 ILE H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1389,1428, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 92 ILE H 92 ILE HG13 5.41
&rst
ixpk= 0, nxpk= 0, iat=1428,1439, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 102 TRP H 104 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1658,1659,1660,
&end
#
# 101 PRO QB 102 TRP H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1600,1601,
&end
#
# 102 TRP H 102 TRP HD1 6
&rst
ixpk= 0, nxpk= 0, iat=1607,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 193 ASP HA 194 LYS H 3.82
&rst
ixpk= 0, nxpk= 0, iat=3008,3018, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 193 ASP HB3 194 LYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat=3011,3018, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 62 LEU QD1 63 PHE H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 992, 993, 994,
&end
#
# 188 GLN HB2 189 HIS H 4.82
&rst
ixpk= 0, nxpk= 0, iat=2935,2948, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 182 ALA H 184 PHE H 5.68
&rst
ixpk= 0, nxpk= 0, iat=2825,2859, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 181 SER H 182 ALA H 4.25
&rst
ixpk= 0, nxpk= 0, iat=2814,2825, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 145 TYR QE 182 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2825, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2297,2302,
&end
#
# 181 SER HB2 182 ALA H 4.56
&rst
ixpk= 0, nxpk= 0, iat=2818,2825, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 180 ILE HA 182 ALA H 5.21
&rst
ixpk= 0, nxpk= 0, iat=2797,2825, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 179 ALA HA 182 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat=2787,2825, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 62 LEU H 62 LEU HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 983, 988, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 39 LEU QD2 62 LEU H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 616, 617, 618,
&end
#
# 41 VAL QG1 62 LEU H 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 647, 648, 649,
&end
#
# 61 LEU QD2 62 LEU H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 977, 978, 979,
&end
#
# 86 CYS H 97 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1351,1517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 VAL HB 98 GLN H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1521,1533, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 124 PHE H 201 TYR H 5.54
&rst
ixpk= 0, nxpk= 0, iat=1948,3147, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 201 TYR H 201 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=3147, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3157,3162,
&end
#
# 97 VAL H 98 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat=1517,1533, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 TYR QE 98 GLN H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1321,1326,
&end
#
# 122 THR HB 201 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat=1919,3147, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 11 TYR QD 104 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 172, 181,
&end
#
# 11 TYR HA 104 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 166,1645, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 85 LEU H 97 VAL H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1332,1517, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 87 VAL H 97 VAL H 5.24
&rst
ixpk= 0, nxpk= 0, iat=1362,1517, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 85 LEU HB3 97 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1337,1517, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 87 VAL QG1 97 VAL H 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1517, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1368,1369,1370,
&end
#
# 84 TYR HA 97 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1313,1517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 CYS HA 97 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1353,1517, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 104 LEU H 104 LEU HG 4.81
&rst
ixpk= 0, nxpk= 0, iat=1645,1652, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 104 LEU H 105 SER HA 6
&rst
ixpk= 0, nxpk= 0, iat=1645,1666, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 PHE H 124 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1956,1964,
&end
#
# 124 PHE H 199 LYS H 5.3
&rst
ixpk= 0, nxpk= 0, iat=1948,3111, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 125 VAL H 199 LYS H 5.79
&rst
ixpk= 0, nxpk= 0, iat=1968,3111, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 198 VAL QG1 199 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,3111, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=3101,3102,3103,
&end
#
# 123 ILE HB 124 PHE H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1933,1948, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 199 LYS H 199 LYS HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=3111,3118, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 40 ILE H 41 VAL H 5.66
&rst
ixpk= 0, nxpk= 0, iat= 622, 641, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 40 ILE HA 41 VAL H 3.82
&rst
ixpk= 0, nxpk= 0, iat= 624, 641, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 41 VAL H 41 VAL QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 647, 648, 649,
&end
#
# 133 ARG H 135 VAL HB 5.43
&rst
ixpk= 0, nxpk= 0, iat=2085,2123, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 28 GLU H 28 GLU HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat= 425, 432, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 24 ILE QG1 28 GLU H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 377, 378,
&end
#
# 27 ASP HB3 28 GLU H 5.16
&rst
ixpk= 0, nxpk= 0, iat= 418, 425, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 28 GLU H 31 ALA QB 5.98
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 477, 478, 479,
&end
#
# 41 VAL H 42 ASP H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 641, 657, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 88 SER HB2 89 SER H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1382,1389, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 187 LEU H 188 GLN H 5.44
&rst
ixpk= 0, nxpk= 0, iat=2912,2931, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 188 GLN H 189 HIS H 5.85
&rst
ixpk= 0, nxpk= 0, iat=2931,2948, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 187 LEU HA 188 GLN H 3.98
&rst
ixpk= 0, nxpk= 0, iat=2914,2931, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 188 GLN H 188 GLN HB2 4.7
&rst
ixpk= 0, nxpk= 0, iat=2931,2935, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 140 ILE QG2 188 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2931, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2202,2203,2204,
&end
#
# 187 LEU QQD 188 GLN H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2931, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2921,2922,2923,2925,2926,2927,
&end
#
# 89 SER H 94 ASP H 5.67
&rst
ixpk= 0, nxpk= 0, iat=1389,1469, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 89 SER H 93 LYS H 5.56
&rst
ixpk= 0, nxpk= 0, iat=1389,1447, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 89 SER H 93 LYS HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=1389,1449, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 117 LEU H 118 ASP H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1824,1843, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 116 PRO HA 117 LEU H 3.54
&rst
ixpk= 0, nxpk= 0, iat=1820,1824, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 117 LEU H 117 LEU HB2 3.8
&rst
ixpk= 0, nxpk= 0, iat=1824,1828, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 117 LEU H 117 LEU HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1824,1829, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 88 SER HA 94 ASP H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1380,1469, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 156 ASP H 160 LYS HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=2432,2494, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 155 THR HB 156 ASP H 4.42
&rst
ixpk= 0, nxpk= 0, iat=2422,2432, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 156 ASP H 156 ASP HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat=2432,2437, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 156 ASP H 163 LYS HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat=2432,2553, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 156 ASP H 163 LYS HG2 4.97
&rst
ixpk= 0, nxpk= 0, iat=2432,2556, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 155 THR QG2 156 ASP H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1,2432, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2424,2425,2426,
&end
#
# 88 SER HA 95 LYS H 5.54
&rst
ixpk= 0, nxpk= 0, iat=1380,1481, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 88 SER HB2 95 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=1382,1481, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 142 ASP H 144 LEU H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2232,2268, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 140 ILE HA 142 ASP H 5.28
&rst
ixpk= 0, nxpk= 0, iat=2198,2232, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 93 LYS QB 94 ASP H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1469, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1451,1452,
&end
#
# 27 ASP H 43 TRP HZ2 6
&rst
ixpk= 0, nxpk= 0, iat= 413, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 84 TYR HB2 85 LEU H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1315,1332, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 85 LEU H 99 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1556,1557,1558,
&end
#
# 27 ASP H 27 ASP HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 413, 418, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 27 ASP H 27 ASP HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 26 GLU HG3 27 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 406, 413, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 26 GLU HB2 27 ASP H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 402, 413, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 108 ASP HA 153 ILE H 5.36
&rst
ixpk= 0, nxpk= 0, iat=1700,2387, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 134 ALA QB 153 ILE H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2113,2114,2115,
&end
#
# 153 ILE H 155 THR QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat=2387, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2424,2425,2426,
&end
#
# 84 TYR HB3 85 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1316,1332, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 85 LEU H 97 VAL HB 5.94
&rst
ixpk= 0, nxpk= 0, iat=1332,1521, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 85 LEU H 85 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1345,1346,1347,
&end
#
# 85 LEU H 99 ILE QD1 5.24
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1563,1564,1565,
&end
#
# 85 LEU H 86 CYS H 5.95
&rst
ixpk= 0, nxpk= 0, iat=1332,1351, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 86 CYS H 86 CYS HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat=1351,1356, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 86 CYS H 86 CYS HB2 4.7
&rst
ixpk= 0, nxpk= 0, iat=1351,1355, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 85 LEU QD1 86 CYS H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1341,1342,1343,
&end
#
# 79 GLU H 82 LYS H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1236,1270, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 81 GLY H 82 LYS H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1263,1270, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 82 LYS H 82 LYS HE3 4.76
&rst
ixpk= 0, nxpk= 0, iat=1270,1284, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 79 GLU HB2 82 LYS H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1240,1270, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 126 GLY H 197 GLU H 5.57
&rst
ixpk= 0, nxpk= 0, iat=1984,3080, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 148 VAL H 148 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat=2322,2326, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 148 VAL H 170 PHE QE 4.97
&rst
ixpk= 0, nxpk= 0, iat=2322, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2655,2659,
&end
#
# 31 ALA H 32 SER HB2 6
&rst
ixpk= 0, nxpk= 0, iat= 473, 487, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 197 GLU H 197 GLU HG2 4.47
&rst
ixpk= 0, nxpk= 0, iat=3080,3087, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 31 ALA H 32 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 473, 483, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 30 THR HB 31 ALA H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 463, 473, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 28 GLU HA 31 ALA H 4.71
&rst
ixpk= 0, nxpk= 0, iat= 427, 473, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 145 TYR QE 179 ALA H 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2785, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2297,2302,
&end
#
# 176 TYR HA 179 ALA H 5.41
&rst
ixpk= 0, nxpk= 0, iat=2737,2785, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 196 VAL H 197 GLU H 5.83
&rst
ixpk= 0, nxpk= 0, iat=3064,3080, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 39 LEU H 40 ILE H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 603, 622, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 154 ASP HB2 165 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat=2410,2578, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 179 ALA H 180 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2785, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2801,2802,2803,
&end
#
# 177 ILE H 179 ALA H 5.72
&rst
ixpk= 0, nxpk= 0, iat=2756,2785, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 179 ALA H 180 ILE H 4.53
&rst
ixpk= 0, nxpk= 0, iat=2785,2795, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 175 SER HA 179 ALA H 5.31
&rst
ixpk= 0, nxpk= 0, iat=2726,2785, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 177 ILE HB 179 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2760,2785, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 179 ALA H 180 ILE HB 5.61
&rst
ixpk= 0, nxpk= 0, iat=2785,2799, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 178 ALA QB 179 ALA H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2785, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2779,2780,2781,
&end
#
# 184 PHE HA 196 VAL H 5.67
&rst
ixpk= 0, nxpk= 0, iat=2861,3064, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 195 ARG QD 196 VAL H 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1,3064, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=3050,3051,
&end
#
# 195 ARG HB2 196 VAL H 4.61
&rst
ixpk= 0, nxpk= 0, iat=3044,3064, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 38 PRO HA 39 LEU H 3.83
&rst
ixpk= 0, nxpk= 0, iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 38 PRO QB 39 LEU H 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 603, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 596, 597,
&end
#
# 164 GLY H 165 ALA H 4.55
&rst
ixpk= 0, nxpk= 0, iat=2571,2578, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 165 ALA H 165 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=2578, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2582,2583,2584,
&end
#
# 15 VAL HB 61 LEU H 5.73
&rst
ixpk= 0, nxpk= 0, iat= 246, 964, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 61 LEU H 62 LEU HB3 5.81
&rst
ixpk= 0, nxpk= 0, iat= 964, 988, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 60 PHE QD 61 LEU H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 952, 960,
&end
#
# 77 ILE H 86 CYS HB2 6
&rst
ixpk= 0, nxpk= 0, iat=1202,1355, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 ILE H 77 ILE HG13 5.17
&rst
ixpk= 0, nxpk= 0, iat=1202,1213, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 109 PHE H 152 GLY QA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1710, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2382,2383,
&end
#
# 107 SER HB3 109 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat=1692,1710, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 82 LYS HE3 83 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1284,1292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 ASP H 75 ALA H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1169,1181, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 77 ILE H 86 CYS HA 6
&rst
ixpk= 0, nxpk= 0, iat=1202,1353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 CYS HB3 77 ILE H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1196,1202, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 185 VAL H 196 VAL H 5.37
&rst
ixpk= 0, nxpk= 0, iat=2879,3064, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 184 PHE QD 185 VAL H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2879, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2867,2875,
&end
#
# 184 PHE HA 185 VAL H 3.97
&rst
ixpk= 0, nxpk= 0, iat=2861,2879, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 168 VAL QG1 170 PHE H 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1,2645, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2625,2626,2627,
&end
#
# 170 PHE H 176 TYR HB2 6
&rst
ixpk= 0, nxpk= 0, iat=2645,2739, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 ILE H 170 PHE H 5.81
&rst
ixpk= 0, nxpk= 0, iat=1929,2645, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 139 MET HB2 140 ILE H 5.1
&rst
ixpk= 0, nxpk= 0, iat=2183,2196, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 140 ILE H 140 ILE HB 4.29
&rst
ixpk= 0, nxpk= 0, iat=2196,2200, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 13 ARG H 14 LYS H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 196, 220, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 140 ILE H 140 ILE HG13 5.14
&rst
ixpk= 0, nxpk= 0, iat=2196,2207, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 132 LEU H 133 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2066,2085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 LEU H 132 LEU HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat=2066,2070, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 72 LEU H 72 LEU HB2 4
&rst
ixpk= 0, nxpk= 0, iat=1131,1135, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 VAL HA 72 LEU H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1090,1131, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 72 LEU H 73 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1163,1164,1165,
&end
#
# 115 GLN H 149 CYS HB2 6
&rst
ixpk= 0, nxpk= 0, iat=1793,2342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 CYS H 170 PHE HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=2338,2647, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 149 CYS H 169 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2639,2640,2641,
&end
#
# 148 VAL QG2 149 CYS H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2338, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2332,2333,2334,
&end
#
# 170 PHE H 171 SER H 5.82
&rst
ixpk= 0, nxpk= 0, iat=2645,2665, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 170 PHE H 170 PHE QD 4.96
&rst
ixpk= 0, nxpk= 0, iat=2645, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2653,2661,
&end
#
# 170 PHE H 176 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat=2645, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2743,2752,
&end
#
# 123 ILE HB 170 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat=1933,2645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 160 LYS H 161 TYR H 4.81
&rst
ixpk= 0, nxpk= 0, iat=2492,2514, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 82 LYS HD3 83 LEU H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1281,1292, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 72 LEU H 73 ILE H 4.81
&rst
ixpk= 0, nxpk= 0, iat=1131,1150, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 71 ALA HA 73 ILE H 5.97
&rst
ixpk= 0, nxpk= 0, iat=1123,1150, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 70 GLN HA 73 ILE H 5.3
&rst
ixpk= 0, nxpk= 0, iat=1106,1150, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 ILE H 73 ILE HB 4.3
&rst
ixpk= 0, nxpk= 0, iat=1150,1154, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 73 ILE H 73 ILE QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1160,1161,
&end
#
# 114 SER H 115 GLN H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1782,1793, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 114 SER HB3 115 GLN H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1787,1793, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 115 GLN H 115 GLN QG 4.18
&rst
ixpk= 0, nxpk= 0, iat=1793, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1800,1801,
&end
#
# 115 GLN H 115 GLN HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat=1793,1798, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 115 GLN H 115 GLN HE21 6
&rst
ixpk= 0, nxpk= 0, iat=1793,1806, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 148 VAL HB 149 CYS H 5.79
&rst
ixpk= 0, nxpk= 0, iat=2326,2338, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 149 CYS H 170 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=2338, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2653,2661,
&end
#
# 159 LEU H 160 LYS H 4.77
&rst
ixpk= 0, nxpk= 0, iat=2473,2492, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 159 LEU QQD 160 LYS H 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1,2492, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2482,2483,2484,2486,2487,2488,
&end
#
# 148 VAL HA 170 PHE H 5.87
&rst
ixpk= 0, nxpk= 0, iat=2324,2645, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 82 LYS HA 83 LEU H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1272,1292, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 66 GLU HA 69 VAL H 5.85
&rst
ixpk= 0, nxpk= 0, iat=1053,1088, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 69 VAL H 70 GLN H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1088,1104, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 68 SER HB3 69 VAL H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1082,1088, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 69 VAL H 69 VAL HB 4.39
&rst
ixpk= 0, nxpk= 0, iat=1088,1092, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 69 VAL H 71 ALA QB 5.75
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1125,1126,1127,
&end
#
# 71 ALA H 72 LEU H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1121,1131, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 68 SER HB3 71 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=1082,1121, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 69 VAL HA 71 ALA H 5.4
&rst
ixpk= 0, nxpk= 0, iat=1090,1121, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 70 GLN HB2 71 ALA H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1108,1121, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 71 ALA H 71 ALA QB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1125,1126,1127,
&end
#
# 71 ALA H 72 LEU HB2 5.62
&rst
ixpk= 0, nxpk= 0, iat=1121,1135, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 67 SER H 69 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1066,1088, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 68 SER H 69 VAL H 4.98
&rst
ixpk= 0, nxpk= 0, iat=1077,1088, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 71 ALA H 73 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1163,1164,1165,
&end
#
# 175 SER H 177 ILE HG12 5.38
&rst
ixpk= 0, nxpk= 0, iat=2724,2766, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 67 SER H 68 SER H 4.7
&rst
ixpk= 0, nxpk= 0, iat=1066,1077, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 ASP HA 68 SER H 5.55
&rst
ixpk= 0, nxpk= 0, iat=1041,1077, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 68 SER H 68 SER HB3 4.26
&rst
ixpk= 0, nxpk= 0, iat=1077,1082, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 68 SER H 68 SER HB2 4.2
&rst
ixpk= 0, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 ASP HB2 68 SER H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1043,1077, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 68 SER H 71 ALA QB 5.94
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1125,1126,1127,
&end
#
# 68 SER H 69 VAL QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1098,1099,1100,
&end
#
# 11 TYR H 11 TYR QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 172, 181,
&end
#
# 18 GLY QA 59 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 296, 297,
&end
#
# 174 GLN H 175 SER H 4.54
&rst
ixpk= 0, nxpk= 0, iat=2707,2724, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 175 SER H 176 TYR H 4.6
&rst
ixpk= 0, nxpk= 0, iat=2724,2735, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 175 SER H 175 SER QB 4.42
&rst
ixpk= 0, nxpk= 0, iat=2724, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2728,2729,
&end
#
# 175 SER H 176 TYR HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat=2724,2740, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 174 GLN HG2 175 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=2714,2724, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 174 GLN HB2 175 SER H 4.39
&rst
ixpk= 0, nxpk= 0, iat=2711,2724, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 103 ASN HA 106 ASP H 5.26
&rst
ixpk= 0, nxpk= 0, iat=1633,1675, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 106 ASP H 106 ASP QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1679,1680,
&end
#
# 106 ASP H 108 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=1675,1698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 ASN HB2 106 ASP H 5.59
&rst
ixpk= 0, nxpk= 0, iat=1635,1675, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 66 GLU HA 68 SER H 5.4
&rst
ixpk= 0, nxpk= 0, iat=1053,1077, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 128 VAL H 165 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat=1998,2580, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 126 GLY QA 128 VAL H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1986,1987,
&end
#
# 128 VAL H 128 VAL HB 4.5
&rst
ixpk= 0, nxpk= 0, iat=1998,2002, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 VAL H 59 ALA H 5.58
&rst
ixpk= 0, nxpk= 0, iat= 278, 934, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 175 SER H 177 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2724, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2769,2770,2771,
&end
#
# 105 SER H 106 ASP H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1664,1675, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 105 SER HB3 106 ASP H 5.86
&rst
ixpk= 0, nxpk= 0, iat=1669,1675, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 103 ASN HB3 106 ASP H 5.83
&rst
ixpk= 0, nxpk= 0, iat=1636,1675, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 155 THR HA 163 LYS H 5.68
&rst
ixpk= 0, nxpk= 0, iat=2420,2549, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 174 GLN H 176 TYR H 5.47
&rst
ixpk= 0, nxpk= 0, iat=2707,2735, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 174 GLN H 177 ILE HG12 6
&rst
ixpk= 0, nxpk= 0, iat=2707,2766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 174 GLN H 176 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2743,2752,
&end
#
# 174 GLN H 175 SER QB 6
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2728,2729,
&end
#
# 174 GLN H 174 GLN HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=2707,2712, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 174 GLN H 174 GLN HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat=2707,2711, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 174 GLN H 177 ILE HB 5.74
&rst
ixpk= 0, nxpk= 0, iat=2707,2760, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 137 LEU H 138 ALA H 5.22
&rst
ixpk= 0, nxpk= 0, iat=2150,2169, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 136 GLU H 137 LEU H 5.18
&rst
ixpk= 0, nxpk= 0, iat=2135,2150, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 137 LEU H 140 ILE HG13 5.81
&rst
ixpk= 0, nxpk= 0, iat=2150,2207, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 137 LEU H 137 LEU QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2163,2164,2165,
&end
#
# 176 TYR H 178 ALA H 5.79
&rst
ixpk= 0, nxpk= 0, iat=2735,2775, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 155 THR HB 163 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=2422,2549, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 LYS H 163 LYS HG3 4.83
&rst
ixpk= 0, nxpk= 0, iat=2549,2557, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 20 LEU H 58 TYR HA 5.96
&rst
ixpk= 0, nxpk= 0, iat= 308, 915, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 174 GLN H 177 ILE QD1 5.73
&rst
ixpk= 0, nxpk= 0, iat=2707, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=2769,2770,2771,
&end
#
# 176 TYR H 177 ILE H 4.81
&rst
ixpk= 0, nxpk= 0, iat=2735,2756, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 170 PHE QD 176 TYR H 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2735, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2653,2661,
&end
#
# 176 TYR H 176 TYR QD 5.06
&rst
ixpk= 0, nxpk= 0, iat=2735, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2743,2752,
&end
#
# 175 SER QB 176 TYR H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2735, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2728,2729,
&end
#
# 176 TYR H 177 ILE HG12 6
&rst
ixpk= 0, nxpk= 0, iat=2735,2766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 ALA HA 74 ASP H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1123,1169, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 73 ILE HB 74 ASP H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1154,1169, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 73 ILE QD1 74 ASP H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1163,1164,1165,
&end
#
# 70 GLN HA 74 ASP H 5.85
&rst
ixpk= 0, nxpk= 0, iat=1106,1169, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 70 GLN HE22 74 ASP H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1116,1169, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 73 ILE QG2 74 ASP H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1156,1157,1158,
&end
#
# 135 VAL HA 137 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=2121,2150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 152 GLY H 167 ARG H 4.51
&rst
ixpk= 0, nxpk= 0, iat=2380,2595, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 167 ARG H 168 VAL H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2595,2619, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 151 ALA QB 167 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2374,2375,2376,
&end
#
# 167 ARG H 168 VAL QG1 5.9
&rst
ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=2625,2626,2627,
&end
#
# 137 LEU QD1 167 ARG H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=2159,2160,2161,
&end
#
# 167 ARG H 167 ARG QD 6
&rst
ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2605,2606,
&end
#
# 36 PHE H 39 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 616, 617, 618,
&end
#
# 106 ASP HA 108 ASP H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1677,1698, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 108 ASP H 108 ASP HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1698,1702, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 108 ASP H 109 PHE H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1698,1710, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 123 ILE H 201 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3155,3164,
&end
#
# 122 THR HB 123 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat=1919,1929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 123 ILE H 167 ARG HB3 5.7
&rst
ixpk= 0, nxpk= 0, iat=1929,2600, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 123 ILE H 169 ALA HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=1929,2637, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 123 ILE H 201 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat=1929,3147, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE HB2 36 PHE H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 498, 562, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 123 ILE H 170 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2653,2661,
&end
#
# 123 ILE H 168 VAL H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1929,2619, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 124 PHE HA 168 VAL H 5.82
&rst
ixpk= 0, nxpk= 0, iat=1950,2619, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 142 ASP H 143 ARG H 4.65
&rst
ixpk= 0, nxpk= 0, iat=2232,2244, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 143 ARG H 144 LEU H 4.62
&rst
ixpk= 0, nxpk= 0, iat=2244,2268, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 142 ASP HB2 143 ARG H 4.68
&rst
ixpk= 0, nxpk= 0, iat=2236,2244, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 140 ILE QG2 143 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2244, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2202,2203,2204,
&end
#
# 143 ARG H 144 LEU QD2 5.61
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2281,2282,2283,
&end
#
# 159 LEU H 160 LYS HA 5.67
&rst
ixpk= 0, nxpk= 0, iat=2473,2494, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 158 GLU HB3 159 LEU H 4.57
&rst
ixpk= 0, nxpk= 0, iat=2463,2473, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 159 LEU H 163 LYS HG2 5.5
&rst
ixpk= 0, nxpk= 0, iat=2473,2556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 159 LEU H 159 LEU QQD 5.17
&rst
ixpk= 0, nxpk= 0, iat=2473, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2482,2483,2484,2486,2487,2488,
&end
#
# 167 ARG HB3 168 VAL H 4.68
&rst
ixpk= 0, nxpk= 0, iat=2600,2619, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 24 ILE H 25 ASP H 5.56
&rst
ixpk= 0, nxpk= 0, iat= 367, 386, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 23 ASP HB3 24 ILE H 5.55
&rst
ixpk= 0, nxpk= 0, iat= 360, 367, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 23 ASP HB2 24 ILE H 5.69
&rst
ixpk= 0, nxpk= 0, iat= 359, 367, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 159 LEU QQD 161 TYR H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1=2482,2483,2484,2486,2487,2488,
&end
#
# 25 ASP H 26 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= 386, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLU H 29 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 446, 447, 448,
&end
#
# 24 ILE QG1 26 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 377, 378,
&end
#
# 26 GLU H 43 TRP HZ2 6
&rst
ixpk= 0, nxpk= 0, iat= 398, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 GLU H 138 ALA H 5.64
&rst
ixpk= 0, nxpk= 0, iat=2135,2169, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 138 ALA H 139 MET H 4.4
&rst
ixpk= 0, nxpk= 0, iat=2169,2179, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 134 ALA QB 138 ALA H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2113,2114,2115,
&end
#
# 109 PHE QD 138 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1718,1726,
&end
#
# 138 ALA H 139 MET HA 5.7
&rst
ixpk= 0, nxpk= 0, iat=2169,2181, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 175 SER H 177 ILE H 5.6
&rst
ixpk= 0, nxpk= 0, iat=2724,2756, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 176 TYR QE 177 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2756, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2745,2750,
&end
#
# 177 ILE H 178 ALA HA 5.62
&rst
ixpk= 0, nxpk= 0, iat=2756,2777, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 174 GLN HG2 177 ILE H 5.91
&rst
ixpk= 0, nxpk= 0, iat=2714,2756, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 177 ILE H 177 ILE HG12 4.51
&rst
ixpk= 0, nxpk= 0, iat=2756,2766, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 42 ASP H 43 TRP H 6
&rst
ixpk= 0, nxpk= 0, iat= 657, 669, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 ASP HB2 43 TRP H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 661, 669, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 41 VAL QG2 43 TRP H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 651, 652, 653,
&end
#
# 43 TRP H 43 TRP HD1 5.68
&rst
ixpk= 0, nxpk= 0, iat= 669, 677, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 35 ARG H 36 PHE H 5.81
&rst
ixpk= 0, nxpk= 0, iat= 538, 562, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 158 GLU H 159 LEU H 4.34
&rst
ixpk= 0, nxpk= 0, iat=2458,2473, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 158 GLU H 160 LYS H 4.76
&rst
ixpk= 0, nxpk= 0, iat=2458,2492, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 158 GLU H 158 GLU HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat=2458,2463, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 158 GLU H 159 LEU QQD 4.85
&rst
ixpk= 0, nxpk= 0, iat=2458, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=2482,2483,2484,2486,2487,2488,
&end
#
# 144 LEU H 145 TYR QD 5.53
&rst
ixpk= 0, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2295,2304,
&end
#
# 144 LEU H 144 LEU QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2272,2273,
&end
#
# 65 ASP H 68 SER HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1039,1082, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 65 ASP H 65 ASP HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat=1039,1044, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 65 ASP H 65 ASP HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1039,1043, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 64 GLN HB3 65 ASP H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1027,1039, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 64 GLN H 65 ASP H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1022,1039, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 64 GLN HG2 65 ASP H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1029,1039, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 84 TYR H 85 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1311,1332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 LEU H 84 TYR H 5.91
&rst
ixpk= 0, nxpk= 0, iat=1292,1311, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 84 TYR H 84 TYR QD 4.94
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1319,1328,
&end
#
# 78 GLU HA 84 TYR H 5.52
&rst
ixpk= 0, nxpk= 0, iat=1223,1311, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 65 ASP H 68 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=1039,1077, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 183 ARG H 184 PHE H 4.57
&rst
ixpk= 0, nxpk= 0, iat=2835,2859, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 184 PHE H 184 PHE QD 4.32
&rst
ixpk= 0, nxpk= 0, iat=2859, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2867,2875,
&end
#
# 182 ALA HA 184 PHE H 4.64
&rst
ixpk= 0, nxpk= 0, iat=2827,2859, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 184 PHE H 184 PHE HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat=2859,2863, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 183 ARG QG 184 PHE H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2859, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=2842,2843,
&end
#
# 184 PHE H 185 VAL H 4.94
&rst
ixpk= 0, nxpk= 0, iat=2859,2879, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 70 GLN HA 70 GLN HE21 5.55
&rst
ixpk= 0, nxpk= 0, iat=1106,1117, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 68 SER HA 70 GLN H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1079,1104, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 70 GLN H 70 GLN QG 5.3
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1111,1112,
&end
#
# 70 GLN H 70 GLN HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1104,1108, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 70 GLN H 71 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1125,1126,1127,
&end
#
# 70 GLN H 73 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1163,1164,1165,
&end
#
# 70 GLN HE22 71 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat=1116,1123, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 GLN HA 70 GLN HE22 5.71
&rst
ixpk= 0, nxpk= 0, iat=1106,1116, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 70 GLN HE22 74 ASP HA 6
&rst
ixpk= 0, nxpk= 0, iat=1116,1171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 70 GLN HB2 70 GLN HE22 5.49
&rst
ixpk= 0, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 70 GLN HE21 73 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1163,1164,1165,
&end
#
# 70 GLN HE22 73 ILE HB 5.92
&rst
ixpk= 0, nxpk= 0, iat=1116,1154, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 70 GLN HE22 73 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1163,1164,1165,
&end
#
# 76 CYS H 77 ILE H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1191,1202, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 75 ALA QB 76 CYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1185,1186,1187,
&end
#
# 74 ASP H 76 CYS H 6
&rst
ixpk= 0, nxpk= 0, iat=1169,1191, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 CYS H 76 CYS HB3 4.7
&rst
ixpk= 0, nxpk= 0, iat=1191,1196, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 72 LEU QD2 76 CYS H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1144,1145,1146,
&end
#
# 88 SER H 89 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=1378,1389, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 LYS H 122 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat=1893,1917, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 LYS H 122 THR H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1893,1915, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 120 ARG QB 121 LYS H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1873,1874,
&end
#
# 121 LYS H 121 LYS HG2 5.75
&rst
ixpk= 0, nxpk= 0, iat=1893,1900, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 121 LYS H 122 THR QG2 5.69
&rst
ixpk= 0, nxpk= 0, iat=1893, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2=1921,1922,1923,
&end
#
# 121 LYS H 121 LYS HE2 5.63
&rst
ixpk= 0, nxpk= 0, iat=1893,1906, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 171 SER H 172 ASN H 4.34
&rst
ixpk= 0, nxpk= 0, iat=2665,2676, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 172 ASN H 176 TYR HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat=2676,2740, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 87 VAL QG2 88 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1372,1373,1374,
&end
#
# 87 VAL HB 88 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1366,1378, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 88 SER H 92 ILE QD1 4.8
&rst
ixpk= 0, nxpk= 0, iat=1378, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1441,1442,1443,
&end
#
# 170 PHE HA 172 ASN H 4.66
&rst
ixpk= 0, nxpk= 0, iat=2647,2676, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 180 ILE H 181 SER H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2795,2814, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 181 SER H 181 SER HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat=2814,2818, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 177 ILE HA 181 SER H 5.47
&rst
ixpk= 0, nxpk= 0, iat=2758,2814, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 180 ILE QG2 181 SER H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2801,2802,2803,
&end
#
# 180 ILE HB 181 SER H 4.83
&rst
ixpk= 0, nxpk= 0, iat=2799,2814, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 30 THR H 32 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= 459, 483, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 29 ILE HB 30 THR H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 444, 459, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 30 THR H 31 ALA QB 5.69
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 477, 478, 479,
&end
#
# 30 THR H 31 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 459, 473, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 30 THR H 33 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= 459, 494, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 30 THR H 30 THR HB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 459, 463, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 29 ILE QG2 30 THR H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 446, 447, 448,
&end
#
# 24 ILE QG1 30 THR H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 377, 378,
&end
#
# 111 MET H 112 ASP H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1746,1763, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 112 ASP H 149 CYS HA 4.61
&rst
ixpk= 0, nxpk= 0, iat=1763,2340, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 112 ASP H 112 ASP HB3 4.61
&rst
ixpk= 0, nxpk= 0, iat=1763,1768, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 112 ASP H 112 ASP HB2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1763,1767, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 111 MET HB3 112 ASP H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1751,1763, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 111 MET HB2 112 ASP H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1750,1763, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 119 PRO QB 122 THR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1862,1863,
&end
#
# 122 THR H 123 ILE H 5.56
&rst
ixpk= 0, nxpk= 0, iat=1915,1929, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 120 ARG H 122 THR H 5.39
&rst
ixpk= 0, nxpk= 0, iat=1869,1915, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 122 THR H 122 THR HB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1915,1919, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 122 THR H 122 THR QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1915, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1921,1922,1923,
&end
#
# 65 ASP HA 67 SER H 5.59
&rst
ixpk= 0, nxpk= 0, iat=1041,1066, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 65 ASP HB3 67 SER H 5.2
&rst
ixpk= 0, nxpk= 0, iat=1044,1066, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 66 GLU HB3 67 SER H 5.4
&rst
ixpk= 0, nxpk= 0, iat=1056,1066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 26 GLU HA 30 THR H 5.66
&rst
ixpk= 0, nxpk= 0, iat= 400, 459, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 122 THR H 169 ALA HA 5.62
&rst
ixpk= 0, nxpk= 0, iat=1915,2637, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 122 THR H 201 TYR H 5.62
&rst
ixpk= 0, nxpk= 0, iat=1915,3147, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 114 SER H 115 GLN QG 5.95
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1800,1801,
&end
#
# 136 GLU HA 139 MET H 4.5
&rst
ixpk= 0, nxpk= 0, iat=2137,2179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 VAL HA 139 MET H 5.83
&rst
ixpk= 0, nxpk= 0, iat=2121,2179, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 139 MET H 139 MET HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2179,2186, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 139 MET H 139 MET HB2 4
&rst
ixpk= 0, nxpk= 0, iat=2179,2183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 138 ALA QB 139 MET H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2173,2174,2175,
&end
#
# 40 ILE H 62 LEU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= 622, 983, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 141 MET H 143 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2215,2244, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 141 MET H 142 ASP H 4.96
&rst
ixpk= 0, nxpk= 0, iat=2215,2232, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 140 ILE HB 141 MET H 4.7
&rst
ixpk= 0, nxpk= 0, iat=2200,2215, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 135 VAL H 136 GLU H 5.31
&rst
ixpk= 0, nxpk= 0, iat=2119,2135, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 133 ARG HA 135 VAL H 5.67
&rst
ixpk= 0, nxpk= 0, iat=2087,2119, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 135 VAL H 135 VAL HB 4.2
&rst
ixpk= 0, nxpk= 0, iat=2119,2123, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 134 ALA QB 135 VAL H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2119, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2113,2114,2115,
&end
#
# 140 ILE H 141 MET H 5.68
&rst
ixpk= 0, nxpk= 0, iat=2196,2215, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 141 MET H 141 MET HG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=2215,2222, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 137 LEU HA 141 MET H 6
&rst
ixpk= 0, nxpk= 0, iat=2152,2215, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 PHE H 34 ARG H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 494, 514, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 23 ASP H 24 ILE H 4.35
&rst
ixpk= 0, nxpk= 0, iat= 355, 367, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 23 ASP H 24 ILE HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 355, 369, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 23 ASP H 23 ASP HB3 4.63
&rst
ixpk= 0, nxpk= 0, iat= 355, 360, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 23 ASP H 23 ASP HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 355, 359, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 144 LEU H 145 TYR H 4.57
&rst
ixpk= 0, nxpk= 0, iat=2268,2287, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 145 TYR H 145 TYR QD 4.76
&rst
ixpk= 0, nxpk= 0, iat=2287, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2295,2304,
&end
#
# 144 LEU QD2 145 TYR H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2281,2282,2283,
&end
#
# 183 ARG H 184 PHE HA 6
&rst
ixpk= 0, nxpk= 0, iat=2835,2861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 180 ILE HA 183 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2797,2835, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 183 ARG H 183 ARG HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat=2835,2840, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 183 ARG H 183 ARG QG 4.19
&rst
ixpk= 0, nxpk= 0, iat=2835, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2842,2843,
&end
#
# 183 ARG H 183 ARG HD3 5.94
&rst
ixpk= 0, nxpk= 0, iat=2835,2846, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 179 ALA HA 183 ARG H 5.77
&rst
ixpk= 0, nxpk= 0, iat=2787,2835, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 58 TYR H 59 ALA H 5.64
&rst
ixpk= 0, nxpk= 0, iat= 913, 934, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 58 TYR H 58 TYR QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 921, 930,
&end
#
# 144 LEU QB 145 TYR H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2272,2273,
&end
#
# 181 SER H 183 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2814,2835, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 182 ALA H 183 ARG H 4.44
&rst
ixpk= 0, nxpk= 0, iat=2825,2835, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 120 ARG H 121 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1869,1893, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 120 ARG H 120 ARG QB 3.9
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1873,1874,
&end
#
# 144 LEU HG 145 TYR H 4.46
&rst
ixpk= 0, nxpk= 0, iat=2275,2287, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 141 MET HA 145 TYR H 5.59
&rst
ixpk= 0, nxpk= 0, iat=2217,2287, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 170 PHE QD 171 SER H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2653,2661,
&end
#
# 172 ASN HA 172 ASN HD21 5.81
&rst
ixpk= 0, nxpk= 0, iat=2678,2686, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 172 ASN HB3 172 ASN HD21 4.49
&rst
ixpk= 0, nxpk= 0, iat=2681,2686, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 172 ASN HD22 175 SER H 5.69
&rst
ixpk= 0, nxpk= 0, iat=2685,2724, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 172 ASN H 172 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat=2676,2685, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 172 ASN HA 172 ASN HD22 5.29
&rst
ixpk= 0, nxpk= 0, iat=2678,2685, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 172 ASN HB3 172 ASN HD22 4.57
&rst
ixpk= 0, nxpk= 0, iat=2681,2685, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 172 ASN HD22 175 SER QB 5.6
&rst
ixpk= 0, nxpk= 0, iat=2685, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2728,2729,
&end
#
# 125 VAL HB 126 GLY H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1972,1984, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 125 VAL H 126 GLY H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1968,1984, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 124 PHE QE 126 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1958,1962,
&end
#
# 126 GLY H 199 LYS H 5.62
&rst
ixpk= 0, nxpk= 0, iat=1984,3111, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 32 SER H 33 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= 483, 494, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 29 ILE HA 32 SER H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 442, 483, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 32 SER H 32 SER HB2 4.4
&rst
ixpk= 0, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 188 GLN HG3 188 GLN HE21 4.16
&rst
ixpk= 0, nxpk= 0, iat=2939,2944, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 188 GLN HG2 188 GLN HE21 4.49
&rst
ixpk= 0, nxpk= 0, iat=2938,2944, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 188 GLN HB2 188 GLN HE21 4.94
&rst
ixpk= 0, nxpk= 0, iat=2935,2944, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 188 GLN HG3 188 GLN HE22 4.4
&rst
ixpk= 0, nxpk= 0, iat=2939,2943, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 188 GLN HB2 188 GLN HE22 5.15
&rst
ixpk= 0, nxpk= 0, iat=2935,2943, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 103 ASN HA 105 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=1633,1664, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 104 LEU HG 105 SER H 5.55
&rst
ixpk= 0, nxpk= 0, iat=1652,1664, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 104 LEU QD2 105 SER H 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1658,1659,1660,
&end
#
# 105 SER H 105 SER HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1664,1668, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 104 LEU QB 105 SER H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1649,1650,
&end
#
# 154 ASP HA 155 THR H 3.86
&rst
ixpk= 0, nxpk= 0, iat=2408,2418, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 155 THR H 166 GLY QA 5.65
&rst
ixpk= 0, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2590,2591,
&end
#
# 154 ASP HB2 155 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat=2410,2418, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 155 THR H 155 THR QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat=2418, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2424,2425,2426,
&end
#
# 115 GLN HB3 115 GLN HE22 6
&rst
ixpk= 0, nxpk= 0, iat=1798,1805, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 174 GLN HA 174 GLN HE21 6
&rst
ixpk= 0, nxpk= 0, iat=2709,2720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 GLN QG 115 GLN HE21 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1800,1801,
&end
#
# 115 GLN HB3 115 GLN HE21 5.64
&rst
ixpk= 0, nxpk= 0, iat=1798,1806, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 174 GLN HE22 178 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2719, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2779,2780,2781,
&end
#
# 115 GLN QG 115 GLN HE22 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1805, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1800,1801,
&end
#
# 174 GLN H 174 GLN HE21 6
&rst
ixpk= 0, nxpk= 0, iat=2707,2720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 ASN H 103 ASN HD21 5.77
&rst
ixpk= 0, nxpk= 0, iat=1631,1641, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 103 ASN HA 103 ASN HD21 5.79
&rst
ixpk= 0, nxpk= 0, iat=1633,1641, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 103 ASN HA 103 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat=1633,1640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 ASN HB2 103 ASN HD22 4.15
&rst
ixpk= 0, nxpk= 0, iat=1635,1640, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 105 SER H 107 SER H 5.64
&rst
ixpk= 0, nxpk= 0, iat=1664,1687, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 107 SER H 108 ASP H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1687,1698, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 107 SER H 107 SER HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1687,1691, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 11 TYR HB2 12 SER H 5.32
&rst
ixpk= 0, nxpk= 0, iat= 168, 185, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 11 TYR QD 12 SER H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 172, 181,
&end
#
# 11 TYR HB3 12 SER H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 169, 185, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 186 GLN HA 186 GLN HE21 5.61
&rst
ixpk= 0, nxpk= 0, iat=2897,2908, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 186 GLN HE22 187 LEU H 5.89
&rst
ixpk= 0, nxpk= 0, iat=2907,2912, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 186 GLN HA 186 GLN HE22 6
&rst
ixpk= 0, nxpk= 0, iat=2897,2907, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 186 GLN HB3 186 GLN HE22 4.53
&rst
ixpk= 0, nxpk= 0, iat=2900,2907, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 145 TYR HB3 146 GLY H 5.58
&rst
ixpk= 0, nxpk= 0, iat=2292,2308, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 145 TYR QD 146 GLY H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2308, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=2295,2304,
&end
#
# 145 TYR HB2 146 GLY H 5.49
&rst
ixpk= 0, nxpk= 0, iat=2291,2308, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 186 GLN HE21 187 LEU H 5.59
&rst
ixpk= 0, nxpk= 0, iat=2908,2912, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 186 GLN HG3 186 GLN HE21 4.55
&rst
ixpk= 0, nxpk= 0, iat=2903,2908, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 186 GLN HB2 186 GLN HE21 5.29
&rst
ixpk= 0, nxpk= 0, iat=2899,2908, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 124 PHE HZ 127 GLY H 5.87
&rst
ixpk= 0, nxpk= 0, iat=1960,1991, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 36 PHE QD 37 GLY H 5.2
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 570, 578,
&end
#
# 36 PHE HB2 37 GLY H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 566, 582, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 37 GLY H 39 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 616, 617, 618,
&end
#
# 126 GLY H 127 GLY H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1984,1991, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 127 GLY H 128 VAL H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1991,1998, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 127 GLY H 165 ALA QB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2582,2583,2584,
&end
#
# 127 GLY H 165 ALA HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1991,2580, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 126 GLY QA 127 GLY H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1986,1987,
&end
#
# 180 ILE H 180 ILE HB 4.54
&rst
ixpk= 0, nxpk= 0, iat=2795,2799, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 178 ALA QB 180 ILE H 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2795, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1=2779,2780,2781,
&end
#
# 18 GLY H 58 TYR HA 6
&rst
ixpk= 0, nxpk= 0, iat= 294, 915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 GLY H 98 GLN H 5.92
&rst
ixpk= 0, nxpk= 0, iat= 294,1533, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 16 PHE QD 18 GLY H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 266, 274,
&end
#
# 18 GLY H 97 VAL HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 294,1519, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 18 GLY H 98 GLN HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 294,1537, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 18 GLY H 33 PHE HZ 6
&rst
ixpk= 0, nxpk= 0, iat= 294, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 173 GLN HE22 174 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat=2702,2707, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 LYS H 164 GLY H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2549,2571, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 19 GLY H 58 TYR HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= 301, 915, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 19 GLY H 20 LEU QB 6
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 312, 313,
&end
#
# 19 GLY H 20 LEU H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 19 GLY H 33 PHE HZ 6
&rst
ixpk= 0, nxpk= 0, iat= 301, 506, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 19 GLY H 97 VAL HA 4.85
&rst
ixpk= 0, nxpk= 0, iat= 301,1519, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 137 LEU QD1 152 GLY H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2380, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2159,2160,2161,
&end
#
# 152 GLY H 168 VAL H 5.44
&rst
ixpk= 0, nxpk= 0, iat=2380,2619, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 152 GLY H 168 VAL HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=2380,2621, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 152 GLY H 168 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2380, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2625,2626,2627,
&end
#
# 125 VAL H 166 GLY H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1968,2588, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 128 VAL QG2 166 GLY H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=2008,2009,2010,
&end
#
# 166 GLY H 167 ARG H 5.49
&rst
ixpk= 0, nxpk= 0, iat=2588,2595, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 165 ALA H 166 GLY H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2578,2588, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 165 ALA QB 166 GLY H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2582,2583,2584,
&end
#
# 128 VAL QG1 166 GLY H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2004,2005,2006,
&end
#
# 166 GLY H 167 ARG HA 5.78
&rst
ixpk= 0, nxpk= 0, iat=2588,2597, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 79 GLU HB2 81 GLY H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1240,1263, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 79 GLU H 81 GLY H 5.85
&rst
ixpk= 0, nxpk= 0, iat=1236,1263, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 79 GLU HA 81 GLY H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1238,1263, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 89 SER H 91 THR H 6
&rst
ixpk= 0, nxpk= 0, iat=1389,1414, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 90 PRO QB 91 THR H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1407,1408,
&end
#
# 147 GLY H 148 VAL HB 5.5
&rst
ixpk= 0, nxpk= 0, iat=2315,2326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 147 GLY H 148 VAL H 4.34
&rst
ixpk= 0, nxpk= 0, iat=2315,2322, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 146 GLY QA 147 GLY H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2310,2311,
&end
#
# 147 GLY H 175 SER QB 6
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2728,2729,
&end
#
# 108 ASP HB2 109 PHE H 5.3
&rst
ixpk= 0, nxpk= 0, iat=1702,1710, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 85 LEU HB2 99 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1563,1564,1565,
&end
#
# 85 LEU HB2 86 CYS H 5.69
&rst
ixpk= 0, nxpk= 0, iat=1336,1351, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 33 PHE HZ 85 LEU HB2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 506,1336, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 85 LEU HB2 99 ILE QG2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1556,1557,1558,
&end
#
# 20 LEU QB 57 GLY QA 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 312, 313,
igr2= 908, 909,
&end
#
# 163 LYS HB3 164 GLY QA 5.7
&rst
ixpk= 0, nxpk= 0, iat=2554, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2573,2574,
&end
#
# 164 GLY QA 165 ALA QB 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1=2573,2574,
igr2=2582,2583,2584,
&end
#
# 81 GLY QA 82 LYS HE2 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1265,1266,
&end
#
# 19 GLY QA 20 LEU QB 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 303, 304,
igr2= 312, 313,
&end
#
# 79 GLU HB2 81 GLY QA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1240, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1265,1266,
&end
#
# 125 VAL HB 166 GLY QA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2590,2591,
&end
#
# 151 ALA QB 166 GLY QA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2374,2375,2376,
igr2=2590,2591,
&end
#
# 124 PHE HZ 126 GLY QA 5.41
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1986,1987,
&end
#
# 126 GLY QA 165 ALA QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1986,1987,
igr2=2582,2583,2584,
&end
#
# 126 GLY QA 197 GLU HB3 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,3085, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1986,1987,
&end
#
# 146 GLY QA 170 PHE QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=2310,2311,
igr2=2655,2659,
&end
#
# 18 GLY QA 58 TYR H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 296, 297,
&end
#
# 151 ALA QB 152 GLY QA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2374,2375,2376,
igr2=2382,2383,
&end
#
# 125 VAL HA 126 GLY QA 5.61
&rst
ixpk= 0, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1986,1987,
&end
#
# 13 ARG QD 65 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 206, 207,
&end
#
# 148 VAL QG2 170 PHE HB3 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2650, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=2332,2333,2334,
&end
#
# 143 ARG H 143 ARG QD 5.21
&rst
ixpk= 0, nxpk= 0, iat=2244, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2254,2255,
&end
#
# 140 ILE HA 143 ARG QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2254,2255,
&end
#
# 183 ARG HB3 183 ARG HD2 4.07
&rst
ixpk= 0, nxpk= 0, iat=2840,2845, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 143 ARG QD 144 LEU H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,2268, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2254,2255,
&end
#
# 183 ARG HA 183 ARG HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat=2837,2845, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 148 VAL H 170 PHE HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat=2322,2649, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 120 ARG QB 120 ARG QD 3.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1873,1874,
igr2=1879,1880,
&end
#
# 78 GLU H 84 TYR HB2 5.54
&rst
ixpk= 0, nxpk= 0, iat=1221,1315, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 77 ILE QG2 84 TYR HB2 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=1208,1209,1210,
&end
#
# 120 ARG HA 120 ARG QD 3.76
&rst
ixpk= 0, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1879,1880,
&end
#
# 149 CYS HB2 170 PHE HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat=2342,2649, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 119 PRO QB 120 ARG QD 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=1862,1863,
igr2=1879,1880,
&end
#
# 120 ARG QD 121 LYS H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1893, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1879,1880,
&end
#
# 139 MET HA 142 ASP HB3 5.65
&rst
ixpk= 0, nxpk= 0, iat=2181,2237, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 11 TYR HB2 104 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1654,1655,1656,
&end
#
# 142 ASP HB2 148 VAL QG1 5.47
&rst
ixpk= 0, nxpk= 0, iat=2236, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2328,2329,2330,
&end
#
# 142 ASP HB2 148 VAL HB 4.76
&rst
ixpk= 0, nxpk= 0, iat=2236,2326, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 144 LEU QB 145 TYR QE 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=2272,2273,
igr2=2297,2302,
&end
#
# 25 ASP HB3 26 GLU H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 391, 398, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 25 ASP HB2 26 GLU H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 390, 398, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 145 TYR HB3 175 SER HA 5.3
&rst
ixpk= 0, nxpk= 0, iat=2292,2726, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 194 LYS H 194 LYS QE 5.39
&rst
ixpk= 0, nxpk= 0, iat=3018, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=3031,3032,
&end
#
# 193 ASP HB3 194 LYS QE 4.63
&rst
ixpk= 0, nxpk= 0, iat=3011, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=3031,3032,
&end
#
# 124 PHE HB3 201 TYR QD 5.6
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=3155,3164,
&end
#
# 124 PHE HB3 201 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3157,3162,
&end
#
# 156 ASP HB2 163 LYS HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=2436,2556, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 187 LEU HB2 188 GLN H 5.15
&rst
ixpk= 0, nxpk= 0, iat=2916,2931, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 144 LEU QD2 145 TYR HB3 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2292, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=2281,2282,2283,
&end
#
# 124 PHE HB2 125 VAL H 5.55
&rst
ixpk= 0, nxpk= 0, iat=1952,1968, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 124 PHE HB2 201 TYR HA 5.38
&rst
ixpk= 0, nxpk= 0, iat=1952,3149, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 199 LYS H 199 LYS QE 5.17
&rst
ixpk= 0, nxpk= 0, iat=3111, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=3124,3125,
&end
#
# 156 ASP HB2 163 LYS HB2 4.7
&rst
ixpk= 0, nxpk= 0, iat=2436,2553, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 156 ASP HB2 160 LYS HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=2436,2494, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 187 LEU HB3 188 GLN H 5.24
&rst
ixpk= 0, nxpk= 0, iat=2917,2931, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 184 PHE HB3 185 VAL H 5.88
&rst
ixpk= 0, nxpk= 0, iat=2864,2879, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 184 PHE H 184 PHE HB3 4.31
&rst
ixpk= 0, nxpk= 0, iat=2859,2864, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 199 LYS HD2 199 LYS QE 3.42
&rst
ixpk= 0, nxpk= 0, iat=3121, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=3124,3125,
&end
#
# 40 ILE H 40 ILE HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 622, 626, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 188 GLN HG3 193 ASP HB3 5.58
&rst
ixpk= 0, nxpk= 0, iat=2939,3011, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 193 ASP HB2 194 LYS H 5.5
&rst
ixpk= 0, nxpk= 0, iat=3010,3018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LEU HB3 118 ASP H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1829,1843, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 121 LYS HA 121 LYS HE3 5.43
&rst
ixpk= 0, nxpk= 0, iat=1895,1907, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 121 LYS H 121 LYS HE3 5.81
&rst
ixpk= 0, nxpk= 0, iat=1893,1907, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 70 GLN HA 74 ASP HB3 5.7
&rst
ixpk= 0, nxpk= 0, iat=1106,1174, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 120 ARG HA 121 LYS HE2 5.32
&rst
ixpk= 0, nxpk= 0, iat=1871,1906, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 121 LYS HA 121 LYS HE2 5.54
&rst
ixpk= 0, nxpk= 0, iat=1895,1906, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 116 PRO HB2 117 LEU HB2 5.64
&rst
ixpk= 0, nxpk= 0, iat=1817,1828, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 117 LEU HB2 117 LEU QD1 4.1
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1833,1834,1835,
&end
#
# 62 LEU HB2 62 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 992, 993, 994,
&end
#
# 14 LYS HA 62 LEU HB2 5.61
&rst
ixpk= 0, nxpk= 0, iat= 222, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 15 VAL QG1 16 PHE HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 248, 249, 250,
&end
#
# 71 ALA HA 74 ASP HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat=1123,1174, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 74 ASP HB2 75 ALA H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1173,1181, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 82 LYS HA 82 LYS HE3 5.94
&rst
ixpk= 0, nxpk= 0, iat=1272,1284, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 79 GLU HG2 82 LYS HE3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1243,1284, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 81 GLY H 82 LYS HE2 5.48
&rst
ixpk= 0, nxpk= 0, iat=1263,1283, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 105 SER HA 106 ASP QB 5.74
&rst
ixpk= 0, nxpk= 0, iat=1666, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1679,1680,
&end
#
# 16 PHE HB2 100 ARG QG 5.78
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1576,1577,
&end
#
# 124 PHE H 201 TYR HB3 5.82
&rst
ixpk= 0, nxpk= 0, iat=1948,3152, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 154 ASP HB3 164 GLY H 5.67
&rst
ixpk= 0, nxpk= 0, iat=2411,2571, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 93 LYS H 94 ASP QB 5.89
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1473,1474,
&end
#
# 123 ILE HB 169 ALA QB 5.67
&rst
ixpk= 0, nxpk= 0, iat=1933, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2639,2640,2641,
&end
#
# 89 SER H 92 ILE HB 5.93
&rst
ixpk= 0, nxpk= 0, iat=1389,1432, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 140 ILE HB 143 ARG QB 5.7
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2248,2249,
&end
#
# 103 ASN HB3 105 SER H 5.86
&rst
ixpk= 0, nxpk= 0, iat=1636,1664, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 33 PHE HA 36 PHE HB2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 496, 566, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 123 ILE QG2 176 TYR HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1935,1936,1937,
&end
#
# 26 GLU HA 29 ILE HB 5.4
&rst
ixpk= 0, nxpk= 0, iat= 400, 444, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 28 GLU HG3 29 ILE HB 5.66
&rst
ixpk= 0, nxpk= 0, iat= 433, 444, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 170 PHE QD 176 TYR HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2740, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2653,2661,
&end
#
# 176 TYR HB2 177 ILE H 5.59
&rst
ixpk= 0, nxpk= 0, iat=2739,2756, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 135 VAL HA 136 GLU HG3 5.38
&rst
ixpk= 0, nxpk= 0, iat=2121,2143, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 136 GLU HG3 139 MET HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat=2143,2187, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 134 ALA HA 136 GLU HG3 6
&rst
ixpk= 0, nxpk= 0, iat=2111,2143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 ILE HB 99 ILE QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1563,1564,1565,
&end
#
# 136 GLU HG2 137 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=2142,2150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 LEU HB2 136 GLU HG3 5.48
&rst
ixpk= 0, nxpk= 0, iat=2070,2143, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 132 LEU QD2 136 GLU HG3 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=2079,2080,2081,
&end
#
# 135 VAL QG2 136 GLU HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2143, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2129,2130,2131,
&end
#
# 176 TYR QD 177 ILE HB 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2760, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2743,2752,
&end
#
# 174 GLN HG3 177 ILE HB 5.03
&rst
ixpk= 0, nxpk= 0, iat=2715,2760, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 193 ASP HA 194 LYS HB3 5.58
&rst
ixpk= 0, nxpk= 0, iat=3008,3023, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 194 LYS HB3 194 LYS QE 5.2
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=3031,3032,
&end
#
# 194 LYS HB3 194 LYS HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat=3023,3028, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 194 LYS HB2 194 LYS QE 5.44
&rst
ixpk= 0, nxpk= 0, iat=3022, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=3031,3032,
&end
#
# 194 LYS HB2 194 LYS HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat=3022,3028, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 28 GLU HA 28 GLU HG3 4.46
&rst
ixpk= 0, nxpk= 0, iat= 427, 433, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 24 ILE QG1 28 GLU HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 377, 378,
&end
#
# 25 ASP H 28 GLU HG2 5.55
&rst
ixpk= 0, nxpk= 0, iat= 386, 432, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 158 GLU H 158 GLU QG 4.45
&rst
ixpk= 0, nxpk= 0, iat=2458, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2465,2466,
&end
#
# 158 GLU HB3 158 GLU QG 2.95
&rst
ixpk= 0, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=2465,2466,
&end
#
# 82 LYS HB3 82 LYS HE2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1275,1283, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 79 GLU HG2 82 LYS HE2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1243,1283, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 185 VAL H 185 VAL HB 4.37
&rst
ixpk= 0, nxpk= 0, iat=2879,2883, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 26 GLU HG3 27 ASP HA 6
&rst
ixpk= 0, nxpk= 0, iat= 406, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 26 GLU HG2 29 ILE QG2 5.9
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 446, 447, 448,
&end
#
# 167 ARG HB2 201 TYR QE 5.69
&rst
ixpk= 0, nxpk= 0, iat=2599, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=3157,3162,
&end
#
# 26 GLU HG3 28 GLU H 5.89
&rst
ixpk= 0, nxpk= 0, iat= 406, 425, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 26 GLU HG2 27 ASP H 5.89
&rst
ixpk= 0, nxpk= 0, iat= 405, 413, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 26 GLU HG2 28 GLU H 5.95
&rst
ixpk= 0, nxpk= 0, iat= 405, 425, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 122 THR QG2 167 ARG HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2599, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1921,1922,1923,
&end
#
# 125 VAL H 167 ARG HB3 5.2
&rst
ixpk= 0, nxpk= 0, iat=1968,2600, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 111 MET HB2 148 VAL HB 5.67
&rst
ixpk= 0, nxpk= 0, iat=1750,2326, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 199 LYS HB3 199 LYS QE 5.16
&rst
ixpk= 0, nxpk= 0, iat=3116, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=3124,3125,
&end
#
# 180 ILE QD1 199 LYS HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3115, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2808,2809,2810,
&end
#
# 124 PHE HB3 199 LYS HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1953,3115, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 141 MET HG2 142 ASP H 5.61
&rst
ixpk= 0, nxpk= 0, iat=2222,2232, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 141 MET HG2 179 ALA QB 5.08
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2789,2790,2791,
&end
#
# 188 GLN HA 188 GLN HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat=2933,2939, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 188 GLN HG3 189 HIS H 5.85
&rst
ixpk= 0, nxpk= 0, iat=2939,2948, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 188 GLN HB3 188 GLN HG3 3.45
&rst
ixpk= 0, nxpk= 0, iat=2936,2939, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 17 VAL HB 59 ALA H 5.66
&rst
ixpk= 0, nxpk= 0, iat= 282, 934, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 17 VAL HB 61 LEU QD2 5.7
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 977, 978, 979,
&end
#
# 155 THR HB 160 LYS HA 5.17
&rst
ixpk= 0, nxpk= 0, iat=2422,2494, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 18 GLY H 97 VAL HB 5.79
&rst
ixpk= 0, nxpk= 0, iat= 294,1521, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 78 GLU HA 79 GLU HB2 5.72
&rst
ixpk= 0, nxpk= 0, iat=1223,1240, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 79 GLU HB2 82 LYS HG3 4.81
&rst
ixpk= 0, nxpk= 0, iat=1240,1278, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 197 GLU H 197 GLU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat=3080,3085, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 16 PHE QD 100 ARG HB2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1573, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 266, 274,
&end
#
# 88 SER HA 93 LYS QB 5.68
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1451,1452,
&end
#
# 93 LYS QB 94 ASP HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1451,1452,
&end
#
# 111 MET HG3 149 CYS HA 6
&rst
ixpk= 0, nxpk= 0, iat=1754,2340, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 111 MET HA 111 MET HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat=1748,1754, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 111 MET HG2 149 CYS HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1753,2340, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 92 ILE QD1 93 LYS QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1441,1442,1443,
igr2=1451,1452,
&end
#
# 119 PRO QB 120 ARG H 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1862,1863,
&end
#
# 16 PHE H 100 ARG HB3 5.8
&rst
ixpk= 0, nxpk= 0, iat= 258,1574, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 125 VAL HB 166 GLY H 5.93
&rst
ixpk= 0, nxpk= 0, iat=1972,2588, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 128 VAL HB 136 GLU HG2 6
&rst
ixpk= 0, nxpk= 0, iat=2002,2142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 124 PHE HA 125 VAL HB 5.61
&rst
ixpk= 0, nxpk= 0, iat=1950,1972, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 128 VAL HB 132 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat=2002, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2079,2080,2081,
&end
#
# 125 VAL HB 126 GLY QA 5.25
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1986,1987,
&end
#
# 139 MET HG3 140 ILE H 5.42
&rst
ixpk= 0, nxpk= 0, iat=2187,2196, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 139 MET HG2 140 ILE H 5.5
&rst
ixpk= 0, nxpk= 0, iat=2186,2196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 VAL QG1 139 MET HB3 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2184, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2125,2126,2127,
&end
#
# 148 VAL HB 170 PHE HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat=2326,2649, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 116 PRO HB3 117 LEU H 4.2
&rst
ixpk= 0, nxpk= 0, iat=1818,1824, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 136 GLU HA 139 MET HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=2137,2186, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 139 MET H 139 MET HB3 4.6
&rst
ixpk= 0, nxpk= 0, iat=2179,2184, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 135 VAL QG1 139 MET HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2183, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2125,2126,2127,
&end
#
# 116 PRO HB3 117 LEU QD1 5.65
&rst
ixpk= 0, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1833,1834,1835,
&end
#
# 141 MET QB 142 ASP H 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2219,2220,
&end
#
# 110 VAL HB 111 MET H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1734,1746, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 78 GLU HB3 79 GLU H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1226,1236, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 78 GLU H 78 GLU HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1221,1225, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 194 LYS HA 195 ARG HB3 5.91
&rst
ixpk= 0, nxpk= 0, iat=3020,3045, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 195 ARG HB3 196 VAL H 4.98
&rst
ixpk= 0, nxpk= 0, iat=3045,3064, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 195 ARG HB2 195 ARG QD 4.35
&rst
ixpk= 0, nxpk= 0, iat=3044, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=3050,3051,
&end
#
# 194 LYS QG 195 ARG HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,3045, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=3025,3026,
&end
#
# 119 PRO QB 122 THR HB 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1862,1863,
&end
#
# 158 GLU H 158 GLU HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=2458,2462, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 122 THR HB 201 TYR HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1919,3151, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 135 VAL HB 136 GLU HG2 5.9
&rst
ixpk= 0, nxpk= 0, iat=2123,2142, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 26 GLU HB3 43 TRP HH2 6
&rst
ixpk= 0, nxpk= 0, iat= 403, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 156 ASP HB2 158 GLU HB3 4.87
&rst
ixpk= 0, nxpk= 0, iat=2436,2463, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 73 ILE HA 76 CYS HB3 5.53
&rst
ixpk= 0, nxpk= 0, iat=1152,1196, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 72 LEU QD2 76 CYS HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1144,1145,1146,
&end
#
# 73 ILE HA 76 CYS HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1152,1195, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 76 CYS HB2 77 ILE H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1195,1202, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 26 GLU HB2 29 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 446, 447, 448,
&end
#
# 148 VAL QG1 149 CYS HB3 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2343, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=2328,2329,2330,
&end
#
# 149 CYS HB2 150 TYR H 5.09
&rst
ixpk= 0, nxpk= 0, iat=2342,2349, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 111 MET H 149 CYS HB2 5.73
&rst
ixpk= 0, nxpk= 0, iat=1746,2342, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 115 GLN HB3 149 CYS HB2 5.71
&rst
ixpk= 0, nxpk= 0, iat=1798,2342, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 193 ASP HB2 194 LYS HD3 4.76
&rst
ixpk= 0, nxpk= 0, iat=3010,3029, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 142 ASP H 143 ARG QB 4.85
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2248,2249,
&end
#
# 141 MET H 143 ARG QB 5.85
&rst
ixpk= 0, nxpk= 0, iat=2215, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=2248,2249,
&end
#
# 194 LYS HB3 194 LYS HD3 3.6
&rst
ixpk= 0, nxpk= 0, iat=3023,3029, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 148 VAL QG1 149 CYS HB2 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2342, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=2328,2329,2330,
&end
#
# 115 GLN QG 149 CYS HB2 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2342, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1800,1801,
&end
#
# 24 ILE QD1 28 GLU HB3 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 380, 381, 382,
&end
#
# 28 GLU H 28 GLU HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 425, 429, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 24 ILE QG1 28 GLU HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 430, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 377, 378,
&end
#
# 199 LYS H 199 LYS HD2 5.27
&rst
ixpk= 0, nxpk= 0, iat=3111,3121, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 199 LYS HA 199 LYS HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat=3113,3121, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 30 THR HA 61 LEU QD2 5.99
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 977, 978, 979,
&end
#
# 140 ILE H 140 ILE HG12 5.28
&rst
ixpk= 0, nxpk= 0, iat=2196,2206, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 140 ILE HG12 143 ARG H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2206,2244, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 30 THR HA 33 PHE H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 461, 494, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 30 THR HA 61 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 973, 974, 975,
&end
#
# 114 SER HB3 115 GLN HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat=1787,1798, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 176 TYR QD 177 ILE HG13 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2767, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=2743,2752,
&end
#
# 177 ILE HG13 178 ALA H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2767,2775, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 177 ILE HG12 178 ALA H 5.42
&rst
ixpk= 0, nxpk= 0, iat=2766,2775, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 177 ILE HG13 180 ILE QG2 5.81
&rst
ixpk= 0, nxpk= 0, iat=2767, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2801,2802,2803,
&end
#
# 137 LEU QD2 151 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2163,2164,2165,
igr2=2374,2375,2376,
&end
#
# 86 CYS HB2 87 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1368,1369,1370,
&end
#
# 86 CYS HB2 87 VAL H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1355,1362, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 186 GLN HB3 187 LEU H 4.91
&rst
ixpk= 0, nxpk= 0, iat=2900,2912, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 120 ARG H 120 ARG HG3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1869,1877, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 120 ARG H 120 ARG HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1869,1876, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 120 ARG HA 120 ARG HG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1871,1876, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 120 ARG HG2 121 LYS H 5.7
&rst
ixpk= 0, nxpk= 0, iat=1876,1893, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 15 VAL H 62 LEU HG 6
&rst
ixpk= 0, nxpk= 0, iat= 242, 990, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 186 GLN HB2 187 LEU H 4.76
&rst
ixpk= 0, nxpk= 0, iat=2899,2912, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 137 LEU HA 137 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2163,2164,2165,
&end
#
# 132 LEU QD1 133 ARG H 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1,2085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2075,2076,2077,
&end
#
# 109 PHE QE 137 LEU QD2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=1720,1724,
igr2=2163,2164,2165,
&end
#
# 132 LEU HB3 132 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=2075,2076,2077,
&end
#
# 132 LEU HB2 132 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat=2070, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2075,2076,2077,
&end
#
# 29 ILE HA 33 PHE QE 5.91
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 504, 508,
&end
#
# 29 ILE HA 29 ILE QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 446, 447, 448,
&end
#
# 24 ILE QG1 29 ILE HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 377, 378,
&end
#
# 77 ILE HA 77 ILE HG13 4.63
&rst
ixpk= 0, nxpk= 0, iat=1204,1213, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 194 LYS QE 195 ARG HG2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,3047, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=3031,3032,
&end
#
# 174 GLN HB2 174 GLN HG2 3.47
&rst
ixpk= 0, nxpk= 0, iat=2711,2714, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 195 ARG HG2 196 VAL H 4.96
&rst
ixpk= 0, nxpk= 0, iat=3047,3064, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 192 ILE HG12 193 ASP H 5.53
&rst
ixpk= 0, nxpk= 0, iat=2997,3006, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 29 ILE HA 31 ALA H 5.94
&rst
ixpk= 0, nxpk= 0, iat= 442, 473, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 69 VAL HA 73 ILE H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1090,1150, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 82 LYS H 82 LYS HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat=1270,1277, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 184 PHE QD 195 ARG HG3 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,3048, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2867,2875,
&end
#
# 72 LEU QD2 73 ILE HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1144,1145,1146,
&end
#
# 72 LEU HA 72 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1144,1145,1146,
&end
#
# 39 LEU QD1 61 LEU QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 612, 613, 614,
igr2= 973, 974, 975,
&end
#
# 82 LYS H 82 LYS HG3 4.39
&rst
ixpk= 0, nxpk= 0, iat=1270,1278, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 100 ARG HA 100 ARG QG 4.61
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1576,1577,
&end
#
# 195 ARG HB2 195 ARG HG3 3.41
&rst
ixpk= 0, nxpk= 0, iat=3044,3048, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 40 ILE H 40 ILE HG13 4.76
&rst
ixpk= 0, nxpk= 0, iat= 622, 633, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 92 ILE H 92 ILE HG12 5
&rst
ixpk= 0, nxpk= 0, iat=1428,1438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 SER HB2 94 ASP HA 4.36
&rst
ixpk= 0, nxpk= 0, iat=1382,1471, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 92 ILE HA 92 ILE HG13 4.39
&rst
ixpk= 0, nxpk= 0, iat=1430,1439, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 187 LEU HB2 187 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat=2916, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2925,2926,2927,
&end
#
# 187 LEU QD2 188 GLN H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2931, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=2925,2926,2927,
&end
#
# 88 SER HB3 89 SER H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1383,1389, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 88 SER HB3 93 LYS QD 5.06
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1457,1458,
&end
#
# 73 ILE HA 76 CYS H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1152,1191, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 144 LEU HG 145 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=2275, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2297,2302,
&end
#
# 85 LEU H 85 LEU QD1 5.54
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1341,1342,1343,
&end
#
# 33 PHE QE 85 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 504, 508,
igr2=1341,1342,1343,
&end
#
# 73 ILE HA 85 LEU QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1341,1342,1343,
&end
#
# 33 PHE QD 85 LEU QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 502, 510,
igr2=1341,1342,1343,
&end
#
# 85 LEU HB3 85 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1341,1342,1343,
&end
#
# 143 ARG H 144 LEU HG 5.61
&rst
ixpk= 0, nxpk= 0, iat=2244,2275, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 144 LEU H 144 LEU HG 4.44
&rst
ixpk= 0, nxpk= 0, iat=2268,2275, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 143 ARG HA 144 LEU HG 6
&rst
ixpk= 0, nxpk= 0, iat=2246,2275, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 20 LEU H 20 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 317, 318, 319,
&end
#
# 20 LEU QD1 58 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 317, 318, 319,
&end
#
# 20 LEU QD1 58 TYR HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 317, 318, 319,
&end
#
# 20 LEU HA 20 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 317, 318, 319,
&end
#
# 17 VAL QG1 20 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 284, 285, 286,
igr2= 317, 318, 319,
&end
#
# 119 PRO HA 122 THR H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1865,1915, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 119 PRO HA 122 THR QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1921,1922,1923,
&end
#
# 119 PRO HA 121 LYS H 5.64
&rst
ixpk= 0, nxpk= 0, iat=1865,1893, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 119 PRO HA 201 TYR QE 5.81
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=3157,3162,
&end
#
# 140 ILE HA 143 ARG QB 4.11
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2248,2249,
&end
#
# 140 ILE HA 140 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2209,2210,2211,
&end
#
# 137 LEU QD1 138 ALA H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2159,2160,2161,
&end
#
# 137 LEU H 137 LEU QD1 5.25
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2159,2160,2161,
&end
#
# 137 LEU QD1 138 ALA HA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2171, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2159,2160,2161,
&end
#
# 137 LEU QD1 138 ALA QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,
igr1=2159,2160,2161,
igr2=2173,2174,2175,
&end
#
# 137 LEU QD1 151 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2159,2160,2161,
igr2=2374,2375,2376,
&end
#
# 180 ILE H 180 ILE HG13 5.17
&rst
ixpk= 0, nxpk= 0, iat=2795,2806, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 171 SER HB3 172 ASN HA 5.62
&rst
ixpk= 0, nxpk= 0, iat=2670,2678, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 148 VAL HA 148 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2332,2333,2334,
&end
#
# 180 ILE H 180 ILE HG12 5.53
&rst
ixpk= 0, nxpk= 0, iat=2795,2805, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 104 LEU H 104 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1658,1659,1660,
&end
#
# 104 LEU QB 104 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=1649,1650,
igr2=1658,1659,1660,
&end
#
# 144 LEU H 144 LEU QD2 4.2
&rst
ixpk= 0, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2281,2282,2283,
&end
#
# 144 LEU QB 144 LEU QD2 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2272,2273,
igr2=2281,2282,2283,
&end
#
# 140 ILE HA 144 LEU QD2 5.64
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=2281,2282,2283,
&end
#
# 39 LEU H 39 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 603, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 616, 617, 618,
&end
#
# 30 THR HA 39 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 616, 617, 618,
&end
#
# 11 TYR HA 104 LEU QD2 5.1
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1658,1659,1660,
&end
#
# 132 LEU QD2 136 GLU H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2079,2080,2081,
&end
#
# 39 LEU QD2 61 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= 616, 617, 618,
igr2= 977, 978, 979,
&end
#
# 132 LEU HA 132 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=2068, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2079,2080,2081,
&end
#
# 41 VAL H 62 LEU QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 992, 993, 994,
&end
#
# 132 LEU HB3 132 LEU QD2 3.5
&rst
ixpk= 0, nxpk= 0, iat=2071, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2079,2080,2081,
&end
#
# 61 LEU HA 62 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 992, 993, 994,
&end
#
# 62 LEU HB3 62 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 992, 993, 994,
&end
#
# 107 SER HB3 155 THR QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1692, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2424,2425,2426,
&end
#
# 117 LEU QD1 150 TYR QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1833,1834,1835,
igr2=2353,2354,
&end
#
# 117 LEU H 117 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1833,1834,1835,
&end
#
# 117 LEU QD1 150 TYR HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1833,1834,1835,
&end
#
# 117 LEU HB3 117 LEU QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1833,1834,1835,
&end
#
# 68 SER HB2 69 VAL QG2 5.81
&rst
ixpk= 0, nxpk= 0, iat=1081, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1098,1099,1100,
&end
#
# 114 SER HB2 115 GLN QG 5.89
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1800,1801,
&end
#
# 114 SER HB2 115 GLN H 5.78
&rst
ixpk= 0, nxpk= 0, iat=1786,1793, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 135 VAL HA 139 MET HB2 5.69
&rst
ixpk= 0, nxpk= 0, iat=2121,2183, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 135 VAL HA 136 GLU HG2 5.62
&rst
ixpk= 0, nxpk= 0, iat=2121,2142, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 194 LYS QG 194 LYS HD2 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,3028, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=3025,3026,
&end
#
# 61 LEU QD1 62 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 973, 974, 975,
&end
#
# 15 VAL H 61 LEU QD1 5.83
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2= 973, 974, 975,
&end
#
# 33 PHE HB2 61 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 973, 974, 975,
&end
#
# 15 VAL HB 61 LEU QD1 4.9
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 973, 974, 975,
&end
#
# 29 ILE QG1 61 LEU QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 450, 451,
igr2= 973, 974, 975,
&end
#
# 15 VAL QG2 61 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 252, 253, 254,
igr2= 973, 974, 975,
&end
#
# 15 VAL QG1 61 LEU QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 248, 249, 250,
igr2= 973, 974, 975,
&end
#
# 29 ILE HA 32 SER HB3 5.33
&rst
ixpk= 0, nxpk= 0, iat= 442, 488, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 32 SER HB3 33 PHE H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 488, 494, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 29 ILE QG1 32 SER HB2 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 450, 451,
&end
#
# 29 ILE HA 32 SER HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 442, 487, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 32 SER HB2 33 PHE H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 135 VAL HA 136 GLU HA 5.8
&rst
ixpk= 0, nxpk= 0, iat=2121,2137, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 134 ALA H 135 VAL HA 5.76
&rst
ixpk= 0, nxpk= 0, iat=2109,2121, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 193 ASP HB2 194 LYS QG 5.78
&rst
ixpk= 0, nxpk= 0, iat=3010, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=3025,3026,
&end
#
# 93 LYS QG 93 LYS QD 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1454,1455,
igr2=1457,1458,
&end
#
# 194 LYS H 194 LYS QG 4.66
&rst
ixpk= 0, nxpk= 0, iat=3018, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=3025,3026,
&end
#
# 93 LYS H 93 LYS QG 4.76
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1454,1455,
&end
#
# 36 PHE QE 73 ILE QG1 4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 572, 576,
igr2=1160,1161,
&end
#
# 36 PHE QD 72 LEU QD1 4.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 570, 578,
igr2=1140,1141,1142,
&end
#
# 73 ILE HA 73 ILE QG1 4.28
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1160,1161,
&end
#
# 72 LEU HA 72 LEU QD1 4.23
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1140,1141,1142,
&end
#
# 73 ILE QG1 85 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1160,1161,
igr2=1345,1346,1347,
&end
#
# 73 ILE QG2 73 ILE QG1 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1156,1157,1158,
igr2=1160,1161,
&end
#
# 174 GLN HE22 175 SER HA 5.9
&rst
ixpk= 0, nxpk= 0, iat=2719,2726, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 124 PHE QD 199 LYS HG3 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,3119, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1956,1964,
&end
#
# 199 LYS HG3 199 LYS QE 4.6
&rst
ixpk= 0, nxpk= 0, iat=3119, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=3124,3125,
&end
#
# 29 ILE QG1 30 THR HA 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 450, 451,
&end
#
# 26 GLU HA 29 ILE QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 450, 451,
&end
#
# 28 GLU HG2 29 ILE QG1 6.41
&rst
ixpk= 0, nxpk= 0, iat= 432, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 450, 451,
&end
#
# 124 PHE QD 199 LYS HG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3118, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1956,1964,
&end
#
# 199 LYS HG2 199 LYS QE 4.61
&rst
ixpk= 0, nxpk= 0, iat=3118, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=3124,3125,
&end
#
# 199 LYS H 199 LYS HG3 5.18
&rst
ixpk= 0, nxpk= 0, iat=3111,3119, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 175 SER HA 177 ILE H 5.3
&rst
ixpk= 0, nxpk= 0, iat=2726,2756, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 145 TYR QD 175 SER HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2295,2304,
&end
#
# 128 VAL QG2 129 PRO HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2008,2009,2010,
&end
#
# 175 SER HA 178 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2779,2780,2781,
&end
#
# 181 SER H 181 SER HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat=2814,2819, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 180 ILE H 181 SER HB2 5.81
&rst
ixpk= 0, nxpk= 0, iat=2795,2818, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 181 SER HB2 182 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=2818, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2829,2830,2831,
&end
#
# 104 LEU QD2 105 SER HB2 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1658,1659,1660,
&end
#
# 17 VAL H 20 LEU QD2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 321, 322, 323,
&end
#
# 20 LEU QD2 29 ILE QG1 3.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 321, 322, 323,
igr2= 450, 451,
&end
#
# 174 GLN HA 177 ILE HA 5.53
&rst
ixpk= 0, nxpk= 0, iat=2709,2758, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 177 ILE HA 177 ILE HG12 4.55
&rst
ixpk= 0, nxpk= 0, iat=2758,2766, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 177 ILE HA 180 ILE H 4.94
&rst
ixpk= 0, nxpk= 0, iat=2758,2795, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 176 TYR QD 177 ILE HA 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2758, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2743,2752,
&end
#
# 177 ILE HA 177 ILE HG13 4.47
&rst
ixpk= 0, nxpk= 0, iat=2758,2767, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 177 ILE HA 177 ILE QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=2758, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2762,2763,2764,
&end
#
# 177 ILE HA 180 ILE QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2758, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2801,2802,2803,
&end
#
# 177 ILE HA 178 ALA HA 5.94
&rst
ixpk= 0, nxpk= 0, iat=2758,2777, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 11 TYR HA 104 LEU QD1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1654,1655,1656,
&end
#
# 104 LEU HA 104 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1654,1655,1656,
&end
#
# 158 GLU HB3 159 LEU QD2 3.94
&rst
ixpk= 0, nxpk= 0, iat=2463, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2486,2487,2488,
&end
#
# 16 PHE HB3 101 PRO HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= 263,1603, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 17 VAL QG1 20 LEU QD2 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 284, 285, 286,
igr2= 321, 322, 323,
&end
#
# 20 LEU H 20 LEU QD2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 321, 322, 323,
&end
#
# 20 LEU HA 20 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 321, 322, 323,
&end
#
# 187 LEU QD1 188 GLN H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2931, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2921,2922,2923,
&end
#
# 187 LEU HA 187 LEU QD1 3.9
&rst
ixpk= 0, nxpk= 0, iat=2914, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2921,2922,2923,
&end
#
# 158 GLU QG 159 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2465,2466,
igr2=2486,2487,2488,
&end
#
# 116 PRO HA 117 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat=1820, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1833,1834,1835,
&end
#
# 31 ALA QB 32 SER HA 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 477, 478, 479,
&end
#
# 110 VAL HA 117 LEU QD1 5.95
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr2=1833,1834,1835,
&end
#
# 158 GLU H 159 LEU QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2458, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2486,2487,2488,
&end
#
# 197 GLU H 198 VAL QG2 4.7
&rst
ixpk= 0, nxpk= 0, iat=3080, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=3105,3106,3107,
&end
#
# 29 ILE HA 32 SER HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= 442, 485, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 68 SER HA 69 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1098,1099,1100,
&end
#
# 110 VAL HA 150 TYR QD 5.1
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2357,2366,
&end
#
# 110 VAL HA 112 ASP H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1732,1763, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 169 ALA QB 170 PHE H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2645, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2639,2640,2641,
&end
#
# 151 ALA H 169 ALA QB 5.53
&rst
ixpk= 0, nxpk= 0, iat=2370, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2639,2640,2641,
&end
#
# 150 TYR H 169 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2639,2640,2641,
&end
#
# 150 TYR QB 169 ALA QB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2353,2354,
igr2=2639,2640,2641,
&end
#
# 15 VAL H 15 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 252, 253, 254,
&end
#
# 148 VAL QG2 170 PHE QD 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=2332,2333,2334,
igr2=2653,2661,
&end
#
# 148 VAL H 148 VAL QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=2322, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2332,2333,2334,
&end
#
# 148 VAL QG2 170 PHE QE 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2332,2333,2334,
igr2=2655,2659,
&end
#
# 15 VAL QG2 69 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 252, 253, 254,
&end
#
# 15 VAL QG2 69 VAL QG1 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 252, 253, 254,
igr2=1094,1095,1096,
&end
#
# 15 VAL QG2 73 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
igr1= 252, 253, 254,
igr2=1163,1164,1165,
&end
#
# 69 VAL QG2 70 GLN H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1098,1099,1100,
&end
#
# 66 GLU HA 69 VAL QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1098,1099,1100,
&end
#
# 68 SER HB3 69 VAL QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1098,1099,1100,
&end
#
# 69 VAL HA 69 VAL QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1098,1099,1100,
&end
#
# 66 GLU HG2 69 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1098,1099,1100,
&end
#
# 18 GLY H 97 VAL QG1 5.49
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1523,1524,1525,
&end
#
# 97 VAL QG1 98 GLN H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1523,1524,1525,
&end
#
# 97 VAL HA 97 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat=1519, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1523,1524,1525,
&end
#
# 32 SER HB3 97 VAL QG1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1523,1524,1525,
&end
#
# 33 PHE QE 97 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 504, 508,
igr2=1523,1524,1525,
&end
#
# 41 VAL QG1 43 TRP HH2 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 647, 648, 649,
&end
#
# 144 LEU QD1 145 TYR H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2287, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2277,2278,2279,
&end
#
# 144 LEU H 144 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat=2268, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=2277,2278,2279,
&end
#
# 144 LEU QD1 145 TYR QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2277,2278,2279,
igr2=2297,2302,
&end
#
# 122 THR HA 170 PHE H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1917,2645, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 59 ALA QB 60 PHE H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 938, 939, 940,
&end
#
# 87 VAL QG1 97 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1368,1369,1370,
igr2=1523,1524,1525,
&end
#
# 20 LEU QD1 97 VAL QG1 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 317, 318, 319,
igr2=1523,1524,1525,
&end
#
# 141 MET QB 168 VAL QG1 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr1=2219,2220,
igr2=2625,2626,2627,
&end
#
# 128 VAL QG2 165 ALA H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2578, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=2008,2009,2010,
&end
#
# 128 VAL HA 128 VAL QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2008,2009,2010,
&end
#
# 148 VAL QG2 170 PHE HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2649, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2332,2333,2334,
&end
#
# 125 VAL QG1 126 GLY H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1974,1975,1976,
&end
#
# 125 VAL QG1 199 LYS H 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3111, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1974,1975,1976,
&end
#
# 125 VAL QG1 166 GLY H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2588, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1974,1975,1976,
&end
#
# 125 VAL H 125 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1974,1975,1976,
&end
#
# 125 VAL QG1 126 GLY QA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1974,1975,1976,
igr2=1986,1987,
&end
#
# 127 GLY H 128 VAL QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2004,2005,2006,
&end
#
# 128 VAL H 128 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=2004,2005,2006,
&end
#
# 128 VAL QG1 166 GLY QA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2004,2005,2006,
igr2=2590,2591,
&end
#
# 128 VAL HA 128 VAL QG1 4.6
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2004,2005,2006,
&end
#
# 168 VAL QG2 170 PHE QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2629,2630,2631,
igr2=2655,2659,
&end
#
# 168 VAL QG2 170 PHE HZ 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2657, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2629,2630,2631,
&end
#
# 148 VAL HA 168 VAL QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2629,2630,2631,
&end
#
# 141 MET QB 168 VAL QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2219,2220,
igr2=2629,2630,2631,
&end
#
# 168 VAL HA 168 VAL QG1 4.57
&rst
ixpk= 0, nxpk= 0, iat=2621, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2625,2626,2627,
&end
#
# 192 ILE HA 192 ILE HG13 4.53
&rst
ixpk= 0, nxpk= 0, iat=2989,2998, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 192 ILE HA 192 ILE HG12 4.54
&rst
ixpk= 0, nxpk= 0, iat=2989,2997, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 128 VAL H 128 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2008,2009,2010,
&end
#
# 140 ILE HB 144 LEU QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2277,2278,2279,
&end
#
# 168 VAL QG2 170 PHE QD 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=2629,2630,2631,
igr2=2653,2661,
&end
#
# 168 VAL QG2 169 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2637, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2629,2630,2631,
&end
#
# 151 ALA H 168 VAL HA 5.1
&rst
ixpk= 0, nxpk= 0, iat=2370,2621, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 123 ILE H 168 VAL QG1 5.29
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=2625,2626,2627,
&end
#
# 127 GLY H 128 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2008,2009,2010,
&end
#
# 167 ARG HA 168 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2625,2626,2627,
&end
#
# 151 ALA QB 168 VAL QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2374,2375,2376,
igr2=2625,2626,2627,
&end
#
# 196 VAL QG2 197 GLU H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,3080, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=3074,3075,3076,
&end
#
# 181 SER HA 182 ALA QB 5.09
&rst
ixpk= 0, nxpk= 0, iat=2816, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2829,2830,2831,
&end
#
# 180 ILE QG2 181 SER HA 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1,2816, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2801,2802,2803,
&end
#
# 183 ARG HA 183 ARG QG 4.36
&rst
ixpk= 0, nxpk= 0, iat=2837, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2842,2843,
&end
#
# 175 SER HA 176 TYR HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=2726,2737, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 176 TYR HA 178 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2737, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2779,2780,2781,
&end
#
# 176 TYR HA 177 ILE HG12 5.4
&rst
ixpk= 0, nxpk= 0, iat=2737,2766, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 15 VAL QG1 73 ILE HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 248, 249, 250,
&end
#
# 15 VAL QG1 100 ARG HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 248, 249, 250,
&end
#
# 138 ALA HA 168 VAL QG1 5.57
&rst
ixpk= 0, nxpk= 0, iat=2171, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=2625,2626,2627,
&end
#
# 125 VAL H 125 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1978,1979,1980,
&end
#
# 148 VAL QG1 149 CYS H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2338, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2328,2329,2330,
&end
#
# 111 MET HG2 148 VAL QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat=1753, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2328,2329,2330,
&end
#
# 196 VAL H 196 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=3064, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=3074,3075,3076,
&end
#
# 167 ARG HA 168 VAL HA 5.54
&rst
ixpk= 0, nxpk= 0, iat=2597,2621, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 181 SER HA 182 ALA HA 5.01
&rst
ixpk= 0, nxpk= 0, iat=2816,2827, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 127 GLY QA 128 VAL HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1993,1994,
&end
#
# 128 VAL HA 132 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2079,2080,2081,
&end
#
# 15 VAL QG1 102 TRP H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 248, 249, 250,
&end
#
# 15 VAL QG1 100 ARG H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 248, 249, 250,
&end
#
# 26 GLU HA 26 GLU HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 400, 406, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 185 VAL HA 185 VAL QG1 3.67
&rst
ixpk= 0, nxpk= 0, iat=2881, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2885,2886,2887,
&end
#
# 124 PHE H 198 VAL HA 5.76
&rst
ixpk= 0, nxpk= 0, iat=1948,3097, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 125 VAL H 198 VAL HA 5.58
&rst
ixpk= 0, nxpk= 0, iat=1968,3097, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 198 VAL HA 199 LYS HG3 5.26
&rst
ixpk= 0, nxpk= 0, iat=3097,3119, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 184 PHE HA 185 VAL HA 5.14
&rst
ixpk= 0, nxpk= 0, iat=2861,2881, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 61 LEU HA 61 LEU QD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 977, 978, 979,
&end
#
# 29 ILE HA 61 LEU QD2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 977, 978, 979,
&end
#
# 29 ILE QG1 61 LEU QD2 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 450, 451,
igr2= 977, 978, 979,
&end
#
# 29 ILE QG2 61 LEU QD2 4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 446, 447, 448,
igr2= 977, 978, 979,
&end
#
# 24 ILE HA 25 ASP HA 5.8
&rst
ixpk= 0, nxpk= 0, iat= 369, 388, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 25 ASP HA 26 GLU HA 5.9
&rst
ixpk= 0, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 30 THR H 30 THR QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 465, 466, 467,
&end
#
# 30 THR HA 30 THR QG2 3.8
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 465, 466, 467,
&end
#
# 30 THR QG2 31 ALA H 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 465, 466, 467,
&end
#
# 24 ILE HA 25 ASP HB2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 369, 390, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 87 VAL HA 87 VAL QG1 4.35
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1368,1369,1370,
&end
#
# 17 VAL QG1 58 TYR HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 284, 285, 286,
&end
#
# 17 VAL QG1 97 VAL HA 5
&rst
ixpk= 0, nxpk= 0, iat= -1,1519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 284, 285, 286,
&end
#
# 17 VAL QG1 61 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 284, 285, 286,
igr2= 973, 974, 975,
&end
#
# 17 VAL QG1 33 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 284, 285, 286,
igr2= 502, 510,
&end
#
# 17 VAL QG2 97 VAL HB 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 288, 289, 290,
&end
#
# 17 VAL QG2 99 ILE QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 288, 289, 290,
igr2=1563,1564,1565,
&end
#
# 87 VAL HA 88 SER HA 5.75
&rst
ixpk= 0, nxpk= 0, iat=1364,1380, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 174 GLN HA 177 ILE H 4.18
&rst
ixpk= 0, nxpk= 0, iat=2709,2756, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 174 GLN HA 177 ILE HG12 4.81
&rst
ixpk= 0, nxpk= 0, iat=2709,2766, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 174 GLN HA 176 TYR H 5.59
&rst
ixpk= 0, nxpk= 0, iat=2709,2735, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 110 VAL QG2 150 TYR HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1740,1741,1742,
&end
#
# 110 VAL HA 110 VAL QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1740,1741,1742,
&end
#
# 185 VAL HA 185 VAL QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat=2881, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2889,2890,2891,
&end
#
# 125 VAL QG1 198 VAL QG1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1974,1975,1976,
igr2=3101,3102,3103,
&end
#
# 110 VAL HA 110 VAL QG1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1736,1737,1738,
&end
#
# 17 VAL QG2 58 TYR HA 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr1= 288, 289, 290,
&end
#
# 69 VAL QG1 73 ILE H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1094,1095,1096,
&end
#
# 69 VAL HA 69 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1094,1095,1096,
&end
#
# 13 ARG HA 69 VAL QG1 5.62
&rst
ixpk= 0, nxpk= 0, iat= 198, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1094,1095,1096,
&end
#
# 154 ASP HB2 155 THR QG2 5.67
&rst
ixpk= 0, nxpk= 0, iat=2410, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2424,2425,2426,
&end
#
# 135 VAL H 135 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2125,2126,2127,
&end
#
# 135 VAL QG1 138 ALA H 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2169, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=2125,2126,2127,
&end
#
# 135 VAL HA 135 VAL QG1 3.93
&rst
ixpk= 0, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2125,2126,2127,
&end
#
# 135 VAL QG1 136 GLU H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2125,2126,2127,
&end
#
# 124 PHE HA 201 TYR HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1950,3149, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 123 ILE QG2 124 PHE HA 5
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1935,1936,1937,
&end
#
# 123 ILE QG2 123 ILE QD1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1935,1936,1937,
igr2=1942,1943,1944,
&end
#
# 135 VAL QG1 136 GLU HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2125,2126,2127,
&end
#
# 123 ILE HA 201 TYR H 5.6
&rst
ixpk= 0, nxpk= 0, iat=1931,3147, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 75 ALA H 75 ALA QB 3.63
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1185,1186,1187,
&end
#
# 72 LEU HA 75 ALA QB 4.09
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1185,1186,1187,
&end
#
# 72 LEU QD1 75 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1140,1141,1142,
igr2=1185,1186,1187,
&end
#
# 33 PHE QD 87 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 502, 510,
igr2=1372,1373,1374,
&end
#
# 123 ILE QG2 168 VAL QG2 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1=1935,1936,1937,
igr2=2629,2630,2631,
&end
#
# 196 VAL HA 197 GLU H 4.02
&rst
ixpk= 0, nxpk= 0, iat=3066,3080, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 196 VAL HA 196 VAL QG2 3.85
&rst
ixpk= 0, nxpk= 0, iat=3066, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=3074,3075,3076,
&end
#
# 124 PHE H 201 TYR HA 4.98
&rst
ixpk= 0, nxpk= 0, iat=1948,3149, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 123 ILE HA 201 TYR HA 5.75
&rst
ixpk= 0, nxpk= 0, iat=1931,3149, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 124 PHE QD 201 TYR HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3149, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1956,1964,
&end
#
# 32 SER HB3 87 VAL QG2 5.81
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=1372,1373,1374,
&end
#
# 85 LEU H 97 VAL QG2 5.56
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1527,1528,1529,
&end
#
# 97 VAL QG2 98 GLN H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1527,1528,1529,
&end
#
# 33 PHE HZ 97 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1527,1528,1529,
&end
#
# 84 TYR HA 97 VAL QG2 5.58
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1527,1528,1529,
&end
#
# 33 PHE HB3 87 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1372,1373,1374,
&end
#
# 85 LEU HB3 97 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1527,1528,1529,
&end
#
# 17 VAL QG2 97 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 288, 289, 290,
igr2=1527,1528,1529,
&end
#
# 107 SER HB2 155 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1691, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2424,2425,2426,
&end
#
# 87 VAL H 87 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1368,1369,1370,
&end
#
# 87 VAL QG1 97 VAL HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1368,1369,1370,
&end
#
# 17 VAL HA 18 GLY QA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 296, 297,
&end
#
# 17 VAL HA 98 GLN H 5.6
&rst
ixpk= 0, nxpk= 0, iat= 280,1533, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 32 SER HA 33 PHE HA 5.61
&rst
ixpk= 0, nxpk= 0, iat= 485, 496, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 33 PHE HB2 36 PHE HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= 498, 564, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 36 PHE HA 36 PHE QE 4.68
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 572, 576,
&end
#
# 17 VAL HA 99 ILE QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1563,1564,1565,
&end
#
# 17 VAL HA 17 VAL QG2 4.4
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 288, 289, 290,
&end
#
# 28 GLU HA 28 GLU HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 427, 432, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 13 ARG HA 66 GLU HG2 5.61
&rst
ixpk= 0, nxpk= 0, iat= 198,1058, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 123 ILE QD1 199 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3111, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
&end
#
# 24 ILE QG1 28 GLU HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 377, 378,
&end
#
# 28 GLU HA 32 SER H 5.63
&rst
ixpk= 0, nxpk= 0, iat= 427, 483, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 143 ARG HA 143 ARG QD 4.54
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2254,2255,
&end
#
# 143 ARG HA 143 ARG QB 3.4
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2248,2249,
&end
#
# 143 ARG HA 144 LEU QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=2246, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2277,2278,2279,
&end
#
# 139 MET HA 139 MET HG3 4.41
&rst
ixpk= 0, nxpk= 0, iat=2181,2187, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 123 ILE QD1 170 PHE H 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2645, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1942,1943,1944,
&end
#
# 123 ILE QD1 168 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1942,1943,1944,
&end
#
# 123 ILE QD1 180 ILE HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2797, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1=1942,1943,1944,
&end
#
# 123 ILE QD1 176 TYR QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1942,1943,1944,
igr2=2745,2750,
&end
#
# 123 ILE HA 123 ILE QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1942,1943,1944,
&end
#
# 123 ILE QD1 180 ILE HB 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2799, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1942,1943,1944,
&end
#
# 123 ILE QD1 180 ILE QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1942,1943,1944,
igr2=2801,2802,2803,
&end
#
# 122 THR QG2 169 ALA H 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2635, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1921,1922,1923,
&end
#
# 122 THR QG2 201 TYR HB3 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,3152, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1921,1922,1923,
&end
#
# 122 THR QG2 169 ALA QB 4.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1921,1922,1923,
igr2=2639,2640,2641,
&end
#
# 139 MET HA 139 MET HB2 3.52
&rst
ixpk= 0, nxpk= 0, iat=2181,2183, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 139 MET HA 139 MET HG2 5.09
&rst
ixpk= 0, nxpk= 0, iat=2181,2186, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 122 THR QG2 123 ILE H 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1929, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1921,1922,1923,
&end
#
# 122 THR HA 122 THR QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1921,1922,1923,
&end
#
# 122 THR QG2 167 ARG HB3 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2600, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1921,1922,1923,
&end
#
# 122 THR QG2 201 TYR H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,3147, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1921,1922,1923,
&end
#
# 158 GLU HA 158 GLU QG 3.84
&rst
ixpk= 0, nxpk= 0, iat=2460, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2465,2466,
&end
#
# 158 GLU HA 158 GLU HB2 3.4
&rst
ixpk= 0, nxpk= 0, iat=2460,2462, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 136 GLU HA 140 ILE H 5.22
&rst
ixpk= 0, nxpk= 0, iat=2137,2196, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 142 ASP HA 146 GLY H 4.44
&rst
ixpk= 0, nxpk= 0, iat=2234,2308, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 142 ASP HA 144 LEU H 5.26
&rst
ixpk= 0, nxpk= 0, iat=2234,2268, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 136 GLU HA 136 GLU HG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=2137,2142, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 135 VAL H 135 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2129,2130,2131,
&end
#
# 133 ARG H 135 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2085, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2129,2130,2131,
&end
#
# 135 VAL QG2 137 LEU H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2129,2130,2131,
&end
#
# 135 VAL QG2 136 GLU H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2135, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=2129,2130,2131,
&end
#
# 135 VAL QG2 136 GLU HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2129,2130,2131,
&end
#
# 135 VAL HA 135 VAL QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2129,2130,2131,
&end
#
# 135 VAL QG2 136 GLU HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2142, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2129,2130,2131,
&end
#
# 144 LEU HA 145 TYR HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=2270,2289, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 145 TYR QE 182 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2297,2302,
igr2=2829,2830,2831,
&end
#
# 145 TYR HA 145 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=2289, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2295,2304,
&end
#
# 137 LEU HA 141 MET HG3 5.94
&rst
ixpk= 0, nxpk= 0, iat=2152,2223, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 180 ILE H 182 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2795, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2829,2830,2831,
&end
#
# 182 ALA QB 183 ARG H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2835, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2829,2830,2831,
&end
#
# 182 ALA H 182 ALA QB 3.56
&rst
ixpk= 0, nxpk= 0, iat=2825, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=2829,2830,2831,
&end
#
# 178 ALA HA 182 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat=2777, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2829,2830,2831,
&end
#
# 180 ILE QG2 182 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2801,2802,2803,
igr2=2829,2830,2831,
&end
#
# 181 SER H 182 ALA QB 4.82
&rst
ixpk= 0, nxpk= 0, iat=2814, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2829,2830,2831,
&end
#
# 144 LEU QD2 182 ALA QB 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=2281,2282,2283,
igr2=2829,2830,2831,
&end
#
# 137 LEU HA 140 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2209,2210,2211,
&end
#
# 170 PHE HA 171 SER HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=2647,2667, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 171 SER HA 176 TYR HA 5.3
&rst
ixpk= 0, nxpk= 0, iat=2667,2737, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 171 SER HA 176 TYR HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat=2667,2739, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 196 VAL H 196 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat=3064, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=3070,3071,3072,
&end
#
# 185 VAL H 196 VAL QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=3070,3071,3072,
&end
#
# 196 VAL QG1 197 GLU H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,3080, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=3070,3071,3072,
&end
#
# 196 VAL HA 196 VAL QG1 4.45
&rst
ixpk= 0, nxpk= 0, iat=3066, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=3070,3071,3072,
&end
#
# 187 LEU HG 196 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat=2919, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=3070,3071,3072,
&end
#
# 141 MET HA 144 LEU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2272,2273,
&end
#
# 144 LEU HA 145 TYR QE 5.91
&rst
ixpk= 0, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2297,2302,
&end
#
# 88 SER HA 92 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1441,1442,1443,
&end
#
# 110 VAL HA 150 TYR HA 4.7
&rst
ixpk= 0, nxpk= 0, iat=1732,2351, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 150 TYR HA 150 TYR QD 5.3
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2357,2366,
&end
#
# 150 TYR HA 169 ALA QB 5.5
&rst
ixpk= 0, nxpk= 0, iat=2351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2639,2640,2641,
&end
#
# 148 VAL QG2 150 TYR HA 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2351, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=2332,2333,2334,
&end
#
# 143 ARG H 144 LEU HA 5.67
&rst
ixpk= 0, nxpk= 0, iat=2244,2270, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 143 ARG HA 144 LEU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat=2246,2270, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 144 LEU HA 144 LEU HG 4.38
&rst
ixpk= 0, nxpk= 0, iat=2270,2275, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 72 LEU HA 73 ILE HA 5.59
&rst
ixpk= 0, nxpk= 0, iat=1133,1152, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 135 VAL HA 138 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=2121, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2173,2174,2175,
&end
#
# 137 LEU QB 138 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=2154,2155,
igr2=2173,2174,2175,
&end
#
# 135 VAL H 138 ALA QB 5.71
&rst
ixpk= 0, nxpk= 0, iat=2119, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=2173,2174,2175,
&end
#
# 138 ALA H 138 ALA QB 3.91
&rst
ixpk= 0, nxpk= 0, iat=2169, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=2173,2174,2175,
&end
#
# 134 ALA QB 138 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=2113,2114,2115,
igr2=2173,2174,2175,
&end
#
# 138 ALA QB 168 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2173,2174,2175,
igr2=2629,2630,2631,
&end
#
# 180 ILE H 180 ILE QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=2795, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2801,2802,2803,
&end
#
# 180 ILE QG2 199 LYS HA 5
&rst
ixpk= 0, nxpk= 0, iat= -1,3113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2801,2802,2803,
&end
#
# 180 ILE HA 180 ILE QG2 3.9
&rst
ixpk= 0, nxpk= 0, iat=2797, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2801,2802,2803,
&end
#
# 180 ILE QG2 180 ILE HG13 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=2801,2802,2803,
&end
#
# 180 ILE QG2 180 ILE HG12 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2805, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2801,2802,2803,
&end
#
# 141 MET HA 145 TYR QD 5
&rst
ixpk= 0, nxpk= 0, iat=2217, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2295,2304,
&end
#
# 120 ARG HA 122 THR H 5.45
&rst
ixpk= 0, nxpk= 0, iat=1871,1915, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 31 ALA H 31 ALA QB 3.67
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 477, 478, 479,
&end
#
# 31 ALA QB 32 SER H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 477, 478, 479,
&end
#
# 31 ALA QB 33 PHE H 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 477, 478, 479,
&end
#
# 30 THR HB 31 ALA QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 477, 478, 479,
&end
#
# 28 GLU HA 31 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 477, 478, 479,
&end
#
# 178 ALA H 179 ALA QB 4.7
&rst
ixpk= 0, nxpk= 0, iat=2775, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2789,2790,2791,
&end
#
# 179 ALA QB 180 ILE H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2795, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2789,2790,2791,
&end
#
# 170 PHE QE 179 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=2655,2659,
igr2=2789,2790,2791,
&end
#
# 179 ALA H 179 ALA QB 3.7
&rst
ixpk= 0, nxpk= 0, iat=2785, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2789,2790,2791,
&end
#
# 145 TYR QE 179 ALA QB 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2297,2302,
igr2=2789,2790,2791,
&end
#
# 178 ALA QB 179 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2779,2780,2781,
igr2=2789,2790,2791,
&end
#
# 141 MET HA 144 LEU H 5.08
&rst
ixpk= 0, nxpk= 0, iat=2217,2268, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 77 ILE HA 77 ILE QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1208,1209,1210,
&end
#
# 77 ILE QG2 77 ILE HG13 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1208,1209,1210,
&end
#
# 77 ILE QG2 77 ILE HG12 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1208,1209,1210,
&end
#
# 92 ILE QG2 93 LYS H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1434,1435,1436,
&end
#
# 88 SER HA 92 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1434,1435,1436,
&end
#
# 92 ILE HA 92 ILE QG2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1434,1435,1436,
&end
#
# 134 ALA HA 135 VAL QG2 5.3
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2129,2130,2131,
&end
#
# 40 ILE HA 40 ILE QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 628, 629, 630,
&end
#
# 40 ILE QG2 40 ILE HG12 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 628, 629, 630,
&end
#
# 111 MET HB2 149 CYS HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=1750,2340, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 123 ILE HA 124 PHE HA 5.22
&rst
ixpk= 0, nxpk= 0, iat=1931,1950, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 124 PHE HA 125 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1950, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1978,1979,1980,
&end
#
# 134 ALA HA 138 ALA H 5.38
&rst
ixpk= 0, nxpk= 0, iat=2111,2169, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 40 ILE H 40 ILE QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 628, 629, 630,
&end
#
# 84 TYR HA 85 LEU HB3 5.53
&rst
ixpk= 0, nxpk= 0, iat=1313,1337, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 124 PHE HA 167 ARG HB3 5.2
&rst
ixpk= 0, nxpk= 0, iat=1950,2600, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 111 MET H 149 CYS HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1746,2340, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 111 MET HA 148 VAL QG1 5.56
&rst
ixpk= 0, nxpk= 0, iat=1748, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=2328,2329,2330,
&end
#
# 108 ASP H 134 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2113,2114,2115,
&end
#
# 134 ALA QB 152 GLY QA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=2113,2114,2115,
igr2=2382,2383,
&end
#
# 109 PHE HB3 134 ALA QB 5.51
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2113,2114,2115,
&end
#
# 134 ALA QB 137 LEU QB 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1=2113,2114,2115,
igr2=2154,2155,
&end
#
# 134 ALA H 134 ALA QB 4.5
&rst
ixpk= 0, nxpk= 0, iat=2109, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2113,2114,2115,
&end
#
# 108 ASP HA 134 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2113,2114,2115,
&end
#
# 134 ALA QB 135 VAL QG1 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.21, r4= 8.71,
igr1=2113,2114,2115,
igr2=2125,2126,2127,
&end
#
# 192 ILE H 192 ILE QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=2987, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2993,2994,2995,
&end
#
# 192 ILE HA 192 ILE QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=2989, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2993,2994,2995,
&end
#
# 192 ILE QG2 193 ASP HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,3008, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2993,2994,2995,
&end
#
# 11 TYR HA 103 ASN HB3 5.64
&rst
ixpk= 0, nxpk= 0, iat= 166,1636, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 101 PRO QB 102 TRP HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1600,1601,
&end
#
# 140 ILE QG2 142 ASP H 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=2202,2203,2204,
&end
#
# 140 ILE H 140 ILE QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=2196, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2202,2203,2204,
&end
#
# 139 MET H 140 ILE QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2202,2203,2204,
&end
#
# 140 ILE QG2 141 MET H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2215, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2202,2203,2204,
&end
#
# 137 LEU HA 140 ILE QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2202,2203,2204,
&end
#
# 140 ILE HA 140 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=2198, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2202,2203,2204,
&end
#
# 136 GLU QB 140 ILE QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2139,2140,
igr2=2202,2203,2204,
&end
#
# 140 ILE QG2 140 ILE HG13 4.1
&rst
ixpk= 0, nxpk= 0, iat= -1,2207, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=2202,2203,2204,
&end
#
# 140 ILE QG2 140 ILE QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=2202,2203,2204,
igr2=2209,2210,2211,
&end
#
# 99 ILE QG2 100 ARG H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1556,1557,1558,
&end
#
# 15 VAL QG1 99 ILE QG2 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 248, 249, 250,
igr2=1556,1557,1558,
&end
#
# 195 ARG HA 195 ARG QD 5.08
&rst
ixpk= 0, nxpk= 0, iat=3042, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=3050,3051,
&end
#
# 78 GLU H 79 GLU HA 5.89
&rst
ixpk= 0, nxpk= 0, iat=1221,1238, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 28 GLU HB2 29 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 446, 447, 448,
&end
#
# 70 GLN HE21 73 ILE QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1156,1157,1158,
&end
#
# 79 GLU HA 82 LYS H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1238,1270, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 29 ILE QG2 30 THR HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 446, 447, 448,
&end
#
# 29 ILE QG2 61 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 446, 447, 448,
igr2= 973, 974, 975,
&end
#
# 73 ILE QG2 99 ILE QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1156,1157,1158,
igr2=1556,1557,1558,
&end
#
# 73 ILE H 73 ILE QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1156,1157,1158,
&end
#
# 73 ILE QG2 75 ALA H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1156,1157,1158,
&end
#
# 11 TYR QE 73 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 174, 179,
igr2=1156,1157,1158,
&end
#
# 73 ILE QG2 74 ASP HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1156,1157,1158,
&end
#
# 73 ILE HA 73 ILE QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1156,1157,1158,
&end
#
# 73 ILE QG2 74 ASP HB2 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1156,1157,1158,
&end
#
# 159 LEU QD2 163 LYS HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2551, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2486,2487,2488,
&end
#
# 138 ALA HA 141 MET H 5.85
&rst
ixpk= 0, nxpk= 0, iat=2171,2215, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 39 LEU HA 65 ASP H 5.71
&rst
ixpk= 0, nxpk= 0, iat= 605,1039, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 138 ALA HA 141 MET HG2 5.58
&rst
ixpk= 0, nxpk= 0, iat=2171,2222, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 120 ARG HA 121 LYS HA 5.58
&rst
ixpk= 0, nxpk= 0, iat=1871,1895, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 24 ILE QD1 25 ASP HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 380, 381, 382,
&end
#
# 24 ILE H 24 ILE QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 380, 381, 382,
&end
#
# 24 ILE QD1 28 GLU HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 380, 381, 382,
&end
#
# 20 LEU QB 24 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= 312, 313,
igr2= 380, 381, 382,
&end
#
# 24 ILE QD1 59 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 380, 381, 382,
igr2= 938, 939, 940,
&end
#
# 20 LEU QD1 24 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 317, 318, 319,
igr2= 380, 381, 382,
&end
#
# 24 ILE QD1 25 ASP HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 380, 381, 382,
&end
#
# 24 ILE QD1 29 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 380, 381, 382,
&end
#
# 31 ALA HA 33 PHE H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 475, 494, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 117 LEU HA 150 TYR QD 5.74
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2357,2366,
&end
#
# 117 LEU HA 117 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1833,1834,1835,
&end
#
# 14 LYS HA 15 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 248, 249, 250,
&end
#
# 93 LYS HA 93 LYS QG 3.92
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1454,1455,
&end
#
# 154 ASP HA 155 THR HA 5.18
&rst
ixpk= 0, nxpk= 0, iat=2408,2420, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 187 LEU HA 188 GLN HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=2914,2933, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 187 LEU QD2 188 GLN HA 5.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2933, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2925,2926,2927,
&end
#
# 186 GLN HA 187 LEU HB2 4.61
&rst
ixpk= 0, nxpk= 0, iat=2897,2916, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 178 ALA HA 179 ALA HA 5.47
&rst
ixpk= 0, nxpk= 0, iat=2777,2787, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 178 ALA QB 179 ALA HA 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2787, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2779,2780,2781,
&end
#
# 125 VAL H 167 ARG HA 4.54
&rst
ixpk= 0, nxpk= 0, iat=1968,2597, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 125 VAL QG2 167 ARG HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2597, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1978,1979,1980,
&end
#
# 123 ILE H 167 ARG HA 5.4
&rst
ixpk= 0, nxpk= 0, iat=1929,2597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 85 LEU HA 85 LEU QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat=1334, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1341,1342,1343,
&end
#
# 84 TYR HA 85 LEU HA 5.55
&rst
ixpk= 0, nxpk= 0, iat=1313,1334, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 140 ILE QD1 187 LEU HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2914, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2209,2210,2211,
&end
#
# 140 ILE H 140 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=2196, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2209,2210,2211,
&end
#
# 139 MET H 140 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2209,2210,2211,
&end
#
# 139 MET HG3 140 ILE QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat=2187, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2209,2210,2211,
&end
#
# 140 ILE HB 140 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat=2200, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=2209,2210,2211,
&end
#
# 188 GLN HG2 193 ASP HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=2938,3008, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 188 GLN HG3 193 ASP HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=2939,3008, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 199 LYS HA 199 LYS HG3 4.74
&rst
ixpk= 0, nxpk= 0, iat=3113,3119, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 181 SER H 182 ALA HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=2814,2827, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 182 ALA HA 183 ARG HA 5.09
&rst
ixpk= 0, nxpk= 0, iat=2827,2837, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 14 LYS HA 62 LEU HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 222, 985, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 29 ILE QD1 33 PHE H 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 494, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 453, 454, 455,
&end
#
# 29 ILE QD1 33 PHE HZ 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 453, 454, 455,
&end
#
# 24 ILE QG1 28 GLU HG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 432, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 377, 378,
&end
#
# 24 ILE QG1 28 GLU HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 377, 378,
&end
#
# 20 LEU QD1 24 ILE QG1 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 317, 318, 319,
igr2= 377, 378,
&end
#
# 29 ILE QG2 29 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 446, 447, 448,
igr2= 453, 454, 455,
&end
#
# 24 ILE QG1 29 ILE H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 377, 378,
&end
#
# 15 VAL QG1 100 ARG HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 248, 249, 250,
&end
#
# 156 ASP HA 163 LYS HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat=2434,2553, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 61 LEU HA 62 LEU HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= 966, 985, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 77 ILE HA 77 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1215,1216,1217,
&end
#
# 77 ILE HB 77 ILE QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1215,1216,1217,
&end
#
# 171 SER H 172 ASN HA 5.82
&rst
ixpk= 0, nxpk= 0, iat=2665,2678, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 61 LEU HA 62 LEU HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 966, 988, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 70 GLN HA 73 ILE QD1 4.4
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1163,1164,1165,
&end
#
# 73 ILE HA 73 ILE QD1 4.2
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1163,1164,1165,
&end
#
# 70 GLN QG 73 ILE QD1 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=1111,1112,
igr2=1163,1164,1165,
&end
#
# 69 VAL HB 73 ILE QD1 5.1
&rst
ixpk= 0, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1163,1164,1165,
&end
#
# 73 ILE QD1 101 PRO QB 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1163,1164,1165,
igr2=1600,1601,
&end
#
# 73 ILE HB 73 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1163,1164,1165,
&end
#
# 73 ILE QG2 73 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1156,1157,1158,
igr2=1163,1164,1165,
&end
#
# 73 ILE QD1 99 ILE QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1163,1164,1165,
igr2=1556,1557,1558,
&end
#
# 74 ASP H 75 ALA HA 5.78
&rst
ixpk= 0, nxpk= 0, iat=1169,1183, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 192 ILE H 192 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat=2987, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=3000,3001,3002,
&end
#
# 192 ILE HB 192 ILE QD1 3.7
&rst
ixpk= 0, nxpk= 0, iat=2991, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=3000,3001,3002,
&end
#
# 69 VAL HA 73 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1163,1164,1165,
&end
#
# 92 ILE H 92 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1441,1442,1443,
&end
#
# 92 ILE QD1 93 LYS QG 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1441,1442,1443,
igr2=1454,1455,
&end
#
# 23 ASP HA 24 ILE HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 357, 369, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 92 ILE QD1 93 LYS H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1441,1442,1443,
&end
#
# 124 PHE H 180 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2808,2809,2810,
&end
#
# 180 ILE QD1 181 SER H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2808,2809,2810,
&end
#
# 123 ILE HA 180 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2808,2809,2810,
&end
#
# 180 ILE QD1 199 LYS HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,3113, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2808,2809,2810,
&end
#
# 180 ILE HA 180 ILE QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat=2797, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2808,2809,2810,
&end
#
# 180 ILE HB 180 ILE QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=2799, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2808,2809,2810,
&end
#
# 92 ILE HA 92 ILE QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1441,1442,1443,
&end
#
# 88 SER HB2 92 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=1382, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1441,1442,1443,
&end
#
# 25 ASP HA 43 TRP HZ2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 388, 682, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 151 ALA HA 152 GLY QA 5.64
&rst
ixpk= 0, nxpk= 0, iat=2372, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2382,2383,
&end
#
# 176 TYR H 177 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2735, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2769,2770,2771,
&end
#
# 174 GLN HA 177 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat=2709, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2769,2770,2771,
&end
#
# 177 ILE H 177 ILE QD1 4.1
&rst
ixpk= 0, nxpk= 0, iat=2756, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2769,2770,2771,
&end
#
# 177 ILE HB 177 ILE QD1 3.83
&rst
ixpk= 0, nxpk= 0, iat=2760, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2769,2770,2771,
&end
#
# 122 THR HB 169 ALA HA 5.63
&rst
ixpk= 0, nxpk= 0, iat=1919,2637, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 33 PHE QD 99 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 502, 510,
igr2=1563,1564,1565,
&end
#
# 97 VAL QG2 99 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1527,1528,1529,
igr2=1563,1564,1565,
&end
#
# 24 ILE QD1 59 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 380, 381, 382,
&end
#
# 73 ILE HA 99 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1563,1564,1565,
&end
#
# 99 ILE QD1 100 ARG H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1563,1564,1565,
&end
#
# 99 ILE H 99 ILE QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat=1550, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1563,1564,1565,
&end
#
# 99 ILE QG2 99 ILE QD1 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1556,1557,1558,
igr2=1563,1564,1565,
&end
#
# 61 LEU QD1 99 ILE QD1 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 973, 974, 975,
igr2=1563,1564,1565,
&end
#
# 17 VAL QG1 59 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 284, 285, 286,
&end
#
# 58 TYR HB3 59 ALA HA 5.78
&rst
ixpk= 0, nxpk= 0, iat= 918, 936, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 147 GLY QA 148 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2317,2318,
igr2=2332,2333,2334,
&end
#
# 147 GLY QA 148 VAL QG1 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=2317,2318,
igr2=2328,2329,2330,
&end
#
# 147 GLY QA 148 VAL HB 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2317,2318,
&end
#
# 12 SER H 102 TRP H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 185,1607, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 12 SER H 69 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1094,1095,1096,
&end
#
# 13 ARG H 104 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1654,1655,1656,
&end
#
# 107 SER H 102 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=1687,1617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 TYR QD 73 ILE QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 172, 181,
igr2=1163,1164,1165,
&end
#
# 11 TYR QD 69 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 172, 181,
igr2=1094,1095,1096,
&end
#
# 12 SER H 69 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1094,1095,1096,
&end
#
# 153 ILE QD1 102 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2400,2401,2402,
&end
#
# 155 THR QG2 102 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2424,2425,2426,
&end
#
# 155 THR QG2 102 TRP HD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2424,2425,2426,
&end
#
# 155 THR QG2 102 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2424,2425,2426,
&end
#
# 162 PRO HG2 102 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2539,1617, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 153 ILE QD1 102 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2400,2401,2402,
&end
#
# 104 LEU QD1 11 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1654,1655,1656,
igr2= 172, 181,
&end
#
# 104 LEU QD1 11 TYR QE 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1654,1655,1656,
igr2= 174, 179,
&end
#
# 104 LEU QD1 10 ARG QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1654,1655,1656,
igr2= 150, 151,
&end
#
# 102 TRP HE1 106 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1617,1675, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 TRP HE1 107 SER H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1617,1687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 TRP HZ2 134 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1620,2109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 40 ILE HA 41 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 624, 641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 VAL HA 42 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 643, 657, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 42 ASP HA 43 TRP H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 659, 669, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 TYR HA 59 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 915, 934, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ALA HA 60 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HA 61 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 946, 964, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 61 LEU HA 62 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 966, 983, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 VAL HA 16 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 244, 258, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 PHE HA 17 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 260, 278, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 VAL HA 18 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 280, 294, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 VAL HA 98 GLN H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1519,1533, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 GLN HA 99 ILE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1535,1550, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 99 ILE HA 100 ARG H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1552,1569, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 82 LYS HA 83 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1272,1292, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 LEU HA 84 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1294,1311, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 TYR HA 85 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1313,1332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 VAL HA 61 LEU HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 643, 966, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 43 TRP HA 59 ALA HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 671, 936, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 60 PHE HA 16 PHE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 946, 260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 VAL HA 99 ILE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 280,1552, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 98 GLN HA 84 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1535,1313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 101 PRO HA 15 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1603, 244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 78 GLU HA 83 LEU HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1223,1294, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 VAL QG1 29 ILE QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 647, 648, 649,
igr2= 453, 454, 455,
&end
#
# 151 ALA H 109 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2370,1710, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 THR QG2 102 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2424,2425,2426,
&end
#
# 153 ILE HA 154 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2389,2406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 152 GLY QA 153 ILE H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2387, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2382,2383,
&end
#
# 151 ALA HA 152 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2372,2380, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 150 TYR HA 151 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2351,2370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 123 ILE HA 124 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1931,1948, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 124 PHE HA 125 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1950,1968, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 VAL HA 126 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1970,1984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 196 VAL HA 197 GLU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3066,3080, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 197 GLU HA 198 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3082,3095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 198 VAL HA 199 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3097,3111, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 165 ALA HA 166 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2580,2588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 166 GLY QA 167 ARG H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2595, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2590,2591,
&end
#
# 167 ARG HA 168 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2597,2619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 168 VAL HA 169 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2621,2635, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 151 ALA HA 168 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2372,2621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 153 ILE HA 166 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2389, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2590,2591,
&end
#
# 165 ALA HA 126 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2580, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1986,1987,
&end
#
# 167 ARG HA 124 PHE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2597,1950, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 125 VAL HA 198 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1970,3097, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 200 PRO HA 123 ILE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=3143,1931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LEU QD1 159 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 992, 993, 994,
igr2=2482,2483,2484,
&end
#
# 92 ILE QD1 22 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1441,1442,1443,
igr2= 342, 343,
&end
#
# 43 TRP HD1 54 PRO QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 863, 864,
&end
#
# 46 LYS QB 43 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 728, 729,
&end
#
# 185 VAL QG1 187 LEU QD2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2885,2886,2887,
igr2=2925,2926,2927,
&end
#
# 185 VAL QG1 196 VAL QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2885,2886,2887,
igr2=3074,3075,3076,
&end
#
# 153 ILE H 102 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2387,1620, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 153 ILE QD1 162 PRO HG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2400,2401,2402,
&end
#
# 153 ILE QD1 162 PRO HG3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2540, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2400,2401,2402,
&end
#
# 153 ILE QD1 102 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2400,2401,2402,
&end
#
# 153 ILE QG1 109 PHE QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2397,2398,
igr2=1718,1726,
&end
#
# 155 THR H 156 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2418,2432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 THR H 154 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2418,2406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 THR QG2 102 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1620, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2424,2425,2426,
&end
#
# 155 THR QG2 102 TRP HD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2424,2425,2426,
&end
#
# 155 THR QG2 161 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2424,2425,2426,
&end
#
# 156 ASP H 161 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2432,2514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP H 160 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2432,2492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB2 161 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2436,2514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB2 158 GLU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2436,2458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB2 160 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2436,2492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB2 155 THR QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2424,2425,2426,
&end
#
# 156 ASP HB3 161 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2437,2514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB3 158 GLU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2437,2458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB3 160 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2437,2492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB3 155 THR QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2437, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2424,2425,2426,
&end
#
# 158 GLU H 159 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2458,2473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HA 159 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2460,2473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HB2 159 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2462,2473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HB2 160 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2462,2492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HB3 159 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2463,2473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HB3 160 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2463,2492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HG2 159 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2465,2473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HG2 159 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2465, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2482,2483,2484,
&end
#
# 158 GLU HG3 159 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2466,2473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 158 GLU HG3 159 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2466, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2482,2483,2484,
&end
#
# 159 LEU QD1 161 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2482,2483,2484,
&end
#
# 159 LEU QD1 13 ARG H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2482,2483,2484,
&end
#
# 161 TYR H 160 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2514,2492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 161 TYR H 156 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2514,2432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 161 TYR H 159 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2514,2473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 161 TYR H 159 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2514, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2482,2483,2484,
&end
#
# 161 TYR H 162 PRO HD3 5.0
&rst
ixpk= 0, nxpk= 0, iat=2514,2537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 PHE QD 33 PHE QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1010,1018,
igr2= 504, 508,
&end
#
# 185 VAL QG1 145 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2885,2886,2887,
igr2=2295,2304,
&end
#
# 185 VAL QG1 145 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2885,2886,2887,
igr2=2297,2302,
&end
#
# 140 ILE QD1 189 HIS HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2952, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2209,2210,2211,
&end
#
# 140 ILE QD1 189 HIS HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2953, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2209,2210,2211,
&end
#
# 140 ILE QD1 189 HIS HD2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2209,2210,2211,
&end
#
# 87 VAL QG1 21 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1368,1369,1370,
igr2= 328, 329,
&end
#
# 92 ILE QG2 21 PRO QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1434,1435,1436,
igr2= 334, 335,
&end
#
# 127 GLY H 124 PHE QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1991, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1958,1962,
&end
#
# 131 PRO HA 102 TRP HZ3 5.0
&rst
ixpk= 0, nxpk= 0, iat=2062,1624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 192 ILE QD1 129 PRO HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=3000,3001,3002,
&end
#
# 8 VAL QG1 10 ARG QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 115, 116, 117,
igr2= 150, 151,
&end
#
# 8 VAL QG1 10 ARG H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 115, 116, 117,
&end
#
# 8 VAL QG1 9 GLU H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 125, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 115, 116, 117,
&end
#
# 8 VAL QG1 11 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 115, 116, 117,
igr2= 174, 179,
&end
#
# 8 VAL QG1 11 TYR QD 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 115, 116, 117,
igr2= 172, 181,
&end
#
# 10 ARG HA 11 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 172, 181,
&end
#
# 10 ARG QB 11 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 144, 145,
igr2= 172, 181,
&end
#
# 10 ARG QB 11 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 144, 145,
igr2= 174, 179,
&end
#
# 10 ARG QB 104 LEU QD2 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 144, 145,
igr2=1658,1659,1660,
&end
#
# 10 ARG QD 11 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 150, 151,
igr2= 172, 181,
&end
#
# 10 ARG QD 11 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 150, 151,
igr2= 174, 179,
&end
#
# 98 GLN HE21 82 LYS QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1283,1284,
&end
#
# 98 GLN HE22 82 LYS QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1283,1284,
&end
#
# 98 GLN HE21 100 ARG QG 5.0
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1576,1577,
&end
#
# 98 GLN HE22 100 ARG QG 5.0
&rst
ixpk= 0, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1576,1577,
&end
#
# 164 GLY H 165 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat=2571, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2582,2583,2584,
&end
#
# 164 GLY H 162 PRO HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2571,2542, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 164 GLY H 162 PRO HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat=2571,2543, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 165 ALA H 128 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2578,1998, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 163 LYS QE 156 ASP HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2436, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2562,2563,
&end
#
# 163 LYS QE 157 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2562,2563,
igr2=2445,2446,
&end
#
# 192 ILE HB 189 HIS HD2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2991,2961, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 192 ILE QD1 189 HIS HD2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2961, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=3000,3001,3002,
&end
#
# 189 HIS H 192 ILE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2948,2987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 THR HB 161 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2422,2514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 ASP HB2 157 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=2436, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2445,2446,
&end
#
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