NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
579343 |
2mkh   |
19775 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 55 LYS HB2 56 HIS HE1 4.88
&rst
ixpk= 0, nxpk= 0, iat= 846, 873, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 141 HIS HE1 143 MET H 5.43
&rst
ixpk= 0, nxpk= 0, iat=2247,2262, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 141 HIS HE1 143 MET HB2 4.9
&rst
ixpk= 0, nxpk= 0, iat=2247,2266, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 141 HIS HE1 143 MET HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat=2247,2267, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 64 TYR QD 65 VAL H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 995,1004,
&end
#
# 26 VAL H 64 TYR QD 5.72
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2= 995,1004,
&end
#
# 64 TYR HA 64 TYR QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 995,1004,
&end
#
# 79 LEU QD1 95 TYR QD 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1261,1262,1263,
igr2=1479,1488,
&end
#
# 162 TYR QD 180 THR HB 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=2543,2552,
&end
#
# 83 SER QB 97 PHE QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=1313,1314,
igr2=1521,1529,
&end
#
# 162 TYR QD 164 GLY H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2543,2552,
&end
#
# 136 PHE H 212 TYR QD 4.78
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=3349,3358,
&end
#
# 17 TYR QD 115 VAL QG1 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 277, 286,
igr2=1843,1844,1845,
&end
#
# 97 PHE QD 98 LYS QE 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1521,1529,
igr2=1546,1547,
&end
#
# 97 PHE QD 99 MET HB3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1521,1529,
&end
#
# 122 VAL QG1 162 TYR QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1945,1946,1947,
igr2=2543,2552,
&end
#
# 122 VAL QG2 162 TYR QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1949,1950,1951,
igr2=2543,2552,
&end
#
# 17 TYR QD 115 VAL QG2 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 277, 286,
igr2=1847,1848,1849,
&end
#
# 136 PHE QB 212 TYR QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2170,2171,
igr2=3349,3358,
&end
#
# 203 PHE QD 203 PHE HE1 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,3195, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=3193,3201,
&end
#
# 198 ILE QD1 203 PHE QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=3107,3108,3109,
igr2=3193,3201,
&end
#
# 195 PHE QD 207 VAL H 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1,3263, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=3051,3059,
&end
#
# 195 PHE QD 196 VAL H 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1,3063, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=3051,3059,
&end
#
# 187 TYR H 187 TYR QD 5.44
&rst
ixpk= 0, nxpk= 0, iat=2924, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2932,2941,
&end
#
# 136 PHE HA 136 PHE QD 5.6
&rst
ixpk= 0, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2174,2182,
&end
#
# 195 PHE HA 195 PHE QD 4.71
&rst
ixpk= 0, nxpk= 0, iat=3045, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=3051,3059,
&end
#
# 136 PHE QD 177 GLY H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2174,2182,
&end
#
# 195 PHE QD 208 GLN HG2 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,3286, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=3051,3059,
&end
#
# 195 PHE QD 207 VAL QG1 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1=3051,3059,
igr2=3269,3270,3271,
&end
#
# 136 PHE HZ 177 GLY QA 5.71
&rst
ixpk= 0, nxpk= 0, iat=2178, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2765,2766,
&end
#
# 195 PHE QE 207 VAL QG1 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=3053,3057,
igr2=3269,3270,3271,
&end
#
# 39 PHE QD 45 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 605, 613,
igr2= 708, 709, 710,
&end
#
# 136 PHE HZ 177 GLY H 5.58
&rst
ixpk= 0, nxpk= 0, iat=2178,2763, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 22 PHE QD 112 ILE QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 358, 366,
igr2=1793,1794,1795,
&end
#
# 22 PHE QD 112 ILE QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 358, 366,
igr2=1786,1787,1788,
&end
#
# 39 PHE QE 99 MET HB3 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 607, 611,
&end
#
# 23 LEU QD2 39 PHE QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 383, 384, 385,
igr2= 607, 611,
&end
#
# 42 PHE HA 42 PHE QD 5.47
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 665, 673,
&end
#
# 42 PHE QD 78 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 665, 673,
igr2=1246,1247,1248,
&end
#
# 42 PHE QD 78 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 665, 673,
igr2=1242,1243,1244,
&end
#
# 39 PHE QE 78 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 607, 611,
igr2=1242,1243,1244,
&end
#
# 42 PHE QE 78 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 667, 671,
igr2=1246,1247,1248,
&end
#
# 42 PHE QE 78 LEU HA 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 667, 671,
&end
#
# 23 LEU QD2 39 PHE HZ 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 383, 384, 385,
&end
#
# 203 PHE QB 203 PHE HE1 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3195, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=3189,3190,
&end
#
# 203 PHE HE1 205 LYS H 5.37
&rst
ixpk= 0, nxpk= 0, iat=3195,3219, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 198 ILE QG2 203 PHE HE1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,3195, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=3100,3101,3102,
&end
#
# 49 TRP HD1 52 LYS HA 5.65
&rst
ixpk= 0, nxpk= 0, iat= 764, 803, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 28 TRP H 28 TRP HD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 433, 441, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 28 TRP HA 28 TRP HD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 435, 441, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 28 TRP HB3 28 TRP HD1 4.3
&rst
ixpk= 0, nxpk= 0, iat= 438, 441, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 TRP HD1 104 MET QG 5.54
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1649,1650,
&end
#
# 28 TRP HD1 104 MET QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1653,1654,1655,
&end
#
# 3 TRP HD1 155 ASP HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat= 43,2443, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 3 TRP HD1 156 LEU QD1 4.6
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2459,2460,2461,
&end
#
# 3 TRP HD1 155 ASP HB2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 43,2442, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 3 TRP HH2 198 ILE QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=3100,3101,3102,
&end
#
# 3 TRP HH2 198 ILE QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=3107,3108,3109,
&end
#
# 56 HIS H 56 HIS HD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= 864, 877, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LYS HB2 56 HIS HD2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 846, 877, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 3 TRP H 3 TRP HE3 5.74
&rst
ixpk= 0, nxpk= 0, iat= 35, 54, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 3 TRP HZ3 152 ILE QG1 5.35
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=2396,2397,
&end
#
# 162 TYR QE 163 ALA H 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2545,2550,
&end
#
# 64 TYR QE 65 VAL H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 997,1002,
&end
#
# 79 LEU QD1 95 TYR QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1261,1262,1263,
igr2=1481,1486,
&end
#
# 122 VAL QG1 162 TYR QE 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1945,1946,1947,
igr2=2545,2550,
&end
#
# 28 TRP HZ2 104 MET QG 5.55
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1649,1650,
&end
#
# 3 TRP HZ2 152 ILE QG1 5.26
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2396,2397,
&end
#
# 3 TRP HZ2 198 ILE QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=3107,3108,3109,
&end
#
# 114 TRP HZ2 167 THR QG2 5.88
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=2610,2611,2612,
&end
#
# 53 ASP HA 54 GLY QA 5.94
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 837, 838,
&end
#
# 25 GLY QA 109 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 398, 399,
igr2=1741,1742,1743,
&end
#
# 54 GLY QA 55 LYS HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 837, 838,
&end
#
# 91 GLY QA 92 LEU QB 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=1421,1422,
igr2=1430,1431,
&end
#
# 71 LEU HB2 72 GLU H 5.89
&rst
ixpk= 0, nxpk= 0, iat=1119,1134, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 5 GLY QA 6 GLN HB3 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 82, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 72, 73,
&end
#
# 136 PHE QD 210 ASP HB2 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,3319, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=2174,2182,
&end
#
# 136 PHE QD 210 ASP HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3320, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2174,2182,
&end
#
# 23 LEU HB3 65 VAL H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 375,1008, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 24 GLY QA 64 TYR QD 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
igr1= 391, 392,
igr2= 995,1004,
&end
#
# 23 LEU HB2 109 VAL QG2 5.78
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1741,1742,1743,
&end
#
# 42 PHE HA 43 GLY QA 5.51
&rst
ixpk= 0, nxpk= 0, iat= 659, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 679, 680,
&end
#
# 162 TYR QB 180 THR H 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2539,2540,
&end
#
# 138 GLY QA 208 GLN QB 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2204,2205,
igr2=3283,3284,
&end
#
# 76 ARG H 76 ARG HD2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1198,1208, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 76 ARG HB2 76 ARG HD2 4.6
&rst
ixpk= 0, nxpk= 0, iat=1202,1208, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 76 ARG HB3 76 ARG HD2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1203,1208, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 185 ARG QD 188 LEU QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=2899,2900,
igr2=2954,2955,2956,
&end
#
# 181 PHE HB2 182 ASN HB2 5.76
&rst
ixpk= 0, nxpk= 0, iat=2828,2848, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 138 GLY QA 208 GLN H 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,3279, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2204,2205,
&end
#
# 184 GLN HG2 185 ARG QD 6
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2899,2900,
&end
#
# 184 GLN HG3 185 ARG QD 6
&rst
ixpk= 0, nxpk= 0, iat=2880, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2899,2900,
&end
#
# 76 ARG QG 76 ARG HD3 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1205,1206,
&end
#
# 181 PHE HB2 183 ASN H 5.62
&rst
ixpk= 0, nxpk= 0, iat=2828,2858, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 76 ARG HB2 76 ARG HD3 3.11
&rst
ixpk= 0, nxpk= 0, iat=1202,1209, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 128 ARG QB 128 ARG QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=2036,2037,
igr2=2042,2043,
&end
#
# 144 LEU HB2 148 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2283, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2341,2342,2343,
&end
#
# 144 LEU HB3 165 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2284, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2586,2587,2588,
&end
#
# 92 LEU QB 92 LEU QD1 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1430,1431,
igr2=1435,1436,1437,
&end
#
# 73 LYS HB2 73 LYS QE 4.39
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1162,1163,
&end
#
# 107 LYS QG 107 LYS QE 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1701,1702,
igr2=1707,1708,
&end
#
# 149 LEU QB 150 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2351,2352,
igr2=2370,2371,2372,
&end
#
# 98 LYS QE 108 GLU HG3 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1546,1547,
&end
#
# 198 ILE QD1 199 LYS QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=3107,3108,3109,
igr2=3126,3127,
&end
#
# 47 VAL QG2 67 LEU HB2 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 735, 736, 737,
&end
#
# 47 VAL HA 67 LEU HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= 727,1050, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 199 LYS QE 200 THR H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,3135, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=3126,3127,
&end
#
# 199 LYS QE 204 THR QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=3126,3127,
igr2=3211,3212,3213,
&end
#
# 188 LEU HB2 191 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2949, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3006,3007,3008,
&end
#
# 87 LEU HB2 88 SER H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1367,1382, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 87 LEU HB2 87 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1372,1373,1374,
&end
#
# 87 LEU H 87 LEU HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat=1363,1368, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 188 LEU HB3 188 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat=2950, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2954,2955,2956,
&end
#
# 188 LEU HB3 189 LYS H 5.9
&rst
ixpk= 0, nxpk= 0, iat=2950,2964, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 90 ASP QB 91 GLY QA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1411,1412,
igr2=1421,1422,
&end
#
# 52 LYS HA 53 ASP HB3 5.57
&rst
ixpk= 0, nxpk= 0, iat= 803, 828, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 194 ALA HA 209 ILE HB 5.5
&rst
ixpk= 0, nxpk= 0, iat=3035,3300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ILE HB 17 TYR HA 5.8
&rst
ixpk= 0, nxpk= 0, iat= 254, 271, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 16 ILE HB 116 LEU QB 5.76
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1857,1858,
&end
#
# 79 LEU HB3 111 VAL QG2 5.55
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1774,1775,1776,
&end
#
# 145 ASN QB 174 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=2302,2303,
igr2=2736,2737,
&end
#
# 145 ASN QB 147 GLU H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2302,2303,
&end
#
# 37 ASN HB3 40 ARG HG2 5.88
&rst
ixpk= 0, nxpk= 0, iat= 574, 624, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 36 VAL HB 37 ASN HB2 5.71
&rst
ixpk= 0, nxpk= 0, iat= 557, 573, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 37 ASN HB2 38 THR HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 36 VAL QG1 37 ASN HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 559, 560, 561,
&end
#
# 198 ILE QD1 205 LYS QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=3107,3108,3109,
igr2=3223,3224,
&end
#
# 108 GLU HG3 109 VAL H 5.85
&rst
ixpk= 0, nxpk= 0, iat=1724,1731, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 198 ILE H 205 LYS QB 5.61
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=3223,3224,
&end
#
# 198 ILE HB 205 LYS QB 5.54
&rst
ixpk= 0, nxpk= 0, iat=3098, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=3223,3224,
&end
#
# 197 GLU HG2 206 LYS QG 5.9
&rst
ixpk= 0, nxpk= 0, iat=3086, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=3248,3249,
&end
#
# 108 GLU H 108 GLU HG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1716,1723, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 98 LYS QE 108 GLU HG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1546,1547,
&end
#
# 98 LYS HB2 108 GLU HG3 5.56
&rst
ixpk= 0, nxpk= 0, iat=1537,1724, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 108 GLU H 108 GLU HG3 4.84
&rst
ixpk= 0, nxpk= 0, iat=1716,1724, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 70 GLU H 70 GLU QG 4.76
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1107,1108,
&end
#
# 196 VAL HB 206 LYS QG 5.55
&rst
ixpk= 0, nxpk= 0, iat=3067, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=3248,3249,
&end
#
# 39 PHE HZ 99 MET HB2 6
&rst
ixpk= 0, nxpk= 0, iat= 609,1559, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 21 VAL HB 113 PRO HA 5.8
&rst
ixpk= 0, nxpk= 0, iat= 338,1809, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 21 VAL HB 67 LEU QD1 5.71
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=1054,1055,1056,
&end
#
# 47 VAL QG2 48 GLU QG 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 735, 736, 737,
igr2= 748, 749,
&end
#
# 48 GLU H 48 GLU QG 4.86
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 748, 749,
&end
#
# 48 GLU QG 68 VAL H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 748, 749,
&end
#
# 48 GLU HA 48 GLU QG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 748, 749,
&end
#
# 47 VAL HA 48 GLU QG 5.02
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 748, 749,
&end
#
# 135 VAL QG2 179 VAL HB 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2798, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=2160,2161,2162,
&end
#
# 1 MET QB 196 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 8, 9,
igr2=3069,3070,3071,
&end
#
# 47 VAL HB 48 GLU HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= 729, 743, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 79 LEU QD2 80 GLN HG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1265,1266,1267,
&end
#
# 202 LYS QB 203 PHE QB 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=3167,3168,
igr2=3189,3190,
&end
#
# 200 THR QG2 202 LYS QB 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=3141,3142,3143,
igr2=3167,3168,
&end
#
# 80 GLN H 80 GLN HG2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1271,1278, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 80 GLN HA 80 GLN HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1273,1278, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 79 LEU HB2 80 GLN HG2 6
&rst
ixpk= 0, nxpk= 0, iat=1256,1278, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 79 LEU QD1 80 GLN HG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1261,1262,1263,
&end
#
# 80 GLN H 80 GLN HG3 4.2
&rst
ixpk= 0, nxpk= 0, iat=1271,1279, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 80 GLN HA 80 GLN HG3 4.07
&rst
ixpk= 0, nxpk= 0, iat=1273,1279, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 199 LYS HB2 204 THR QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=3117, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=3211,3212,3213,
&end
#
# 199 LYS HB3 200 THR HA 5.7
&rst
ixpk= 0, nxpk= 0, iat=3118,3137, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 2 THR QG2 199 LYS HB3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,3118, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 27, 28, 29,
&end
#
# 199 LYS HB3 199 LYS QE 5.49
&rst
ixpk= 0, nxpk= 0, iat=3118, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=3126,3127,
&end
#
# 195 PHE QE 208 GLN HG2 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,3286, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=3053,3057,
&end
#
# 48 GLU HB2 66 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1032,1041,
&end
#
# 5 GLY QA 6 GLN QG 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 72, 73,
igr2= 84, 85,
&end
#
# 195 PHE HB2 208 GLN HG3 6
&rst
ixpk= 0, nxpk= 0, iat=3047,3287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 207 VAL H 208 GLN HG3 6
&rst
ixpk= 0, nxpk= 0, iat=3263,3287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 GLY QA 110 GLN QG 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 391, 392,
igr2=1754,1755,
&end
#
# 23 LEU QD1 110 GLN QG 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 379, 380, 381,
igr2=1754,1755,
&end
#
# 195 PHE QE 208 GLN HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,3287, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=3053,3057,
&end
#
# 200 THR HB 201 THR QG2 5.47
&rst
ixpk= 0, nxpk= 0, iat=3139, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=3155,3156,3157,
&end
#
# 184 GLN HG2 185 ARG HA 4.79
&rst
ixpk= 0, nxpk= 0, iat=2879,2891, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 184 GLN HG2 188 LEU QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2954,2955,2956,
&end
#
# 184 GLN HG3 188 LEU QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat=2880, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2954,2955,2956,
&end
#
# 135 VAL HB 179 VAL H 5.4
&rst
ixpk= 0, nxpk= 0, iat=2154,2794, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 122 VAL H 122 VAL HB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1939,1943, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 98 LYS HB2 108 GLU H 5.55
&rst
ixpk= 0, nxpk= 0, iat=1537,1716, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 173 PRO QB 174 ILE HA 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2728, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2719,2720,
&end
#
# 137 VAL HB 177 GLY H 5.26
&rst
ixpk= 0, nxpk= 0, iat=2190,2763, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 1 MET HG2 196 VAL QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=3069,3070,3071,
&end
#
# 1 MET Q 1 MET HG3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 12, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 2, 3, 4,
&end
#
# 1 MET HG3 193 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 12, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=3027,3028,3029,
&end
#
# 189 LYS HB2 190 ALA QB 5.84
&rst
ixpk= 0, nxpk= 0, iat=2968, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=2990,2991,2992,
&end
#
# 189 LYS HB2 190 ALA H 5.21
&rst
ixpk= 0, nxpk= 0, iat=2968,2986, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 2 THR HB 197 GLU HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat= 25,3083, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 2 THR H 2 THR HB 4.18
&rst
ixpk= 0, nxpk= 0, iat= 21, 25, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 207 VAL HB 208 GLN HA 5.52
&rst
ixpk= 0, nxpk= 0, iat=3267,3281, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 1 MET HG2 193 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat= 11,3025, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 204 THR HB 205 LYS H 5.06
&rst
ixpk= 0, nxpk= 0, iat=3209,3219, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 85 ASP HA 86 PRO QB 5.73
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1356,1357,
&end
#
# 104 MET HA 104 MET QG 4.67
&rst
ixpk= 0, nxpk= 0, iat=1644, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1649,1650,
&end
#
# 180 THR HB 181 PHE H 5.4
&rst
ixpk= 0, nxpk= 0, iat=2814,2824, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 97 PHE QE 99 MET HG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1523,1527,
&end
#
# 99 MET HG2 109 VAL QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1741,1742,1743,
&end
#
# 208 GLN QB 209 ILE H 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1,3296, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=3283,3284,
&end
#
# 195 PHE QE 208 GLN QB 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=3053,3057,
igr2=3283,3284,
&end
#
# 35 LEU H 36 VAL HB 5.25
&rst
ixpk= 0, nxpk= 0, iat= 534, 557, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 75 VAL HB 76 ARG H 5.57
&rst
ixpk= 0, nxpk= 0, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 153 LEU HG 160 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat=2412, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2509,2510,2511,
&end
#
# 73 LYS HB2 74 SER H 5.1
&rst
ixpk= 0, nxpk= 0, iat=1153,1171, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 83 SER QB 84 HIS HB2 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1313,1314,
&end
#
# 128 ARG QB 129 LEU H 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2036,2037,
&end
#
# 123 ARG HB3 124 SER QB 5.66
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1983,1984,
&end
#
# 41 VAL HB 42 PHE HA 5.51
&rst
ixpk= 0, nxpk= 0, iat= 645, 659, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 41 VAL H 41 VAL HB 4.05
&rst
ixpk= 0, nxpk= 0, iat= 641, 645, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 44 SER HB3 70 GLU HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 689,1104, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 108 GLU H 108 GLU QB 4.61
&rst
ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1720,1721,
&end
#
# 108 GLU QB 109 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1720,1721,
&end
#
# 56 HIS QB 58 ARG HB2 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 899, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 868, 869,
&end
#
# 98 LYS QE 108 GLU QB 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1546,1547,
igr2=1720,1721,
&end
#
# 93 SER HB2 94 GLU HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1449,1463, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 70 GLU HB2 71 LEU H 5.2
&rst
ixpk= 0, nxpk= 0, iat=1104,1115, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 96 TYR QE 110 GLN QB 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1502,1507,
igr2=1751,1752,
&end
#
# 201 THR HB 202 LYS QB 5.93
&rst
ixpk= 0, nxpk= 0, iat=3153, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=3167,3168,
&end
#
# 200 THR QG2 201 THR HB 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3153, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3141,3142,3143,
&end
#
# 30 ILE QG1 104 MET QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 479, 480,
igr2=1653,1654,1655,
&end
#
# 73 LYS H 73 LYS QD 5
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1159,1160,
&end
#
# 73 LYS HA 76 ARG HB3 6
&rst
ixpk= 0, nxpk= 0, iat=1151,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 195 PHE QE 206 LYS QG 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=3053,3057,
igr2=3248,3249,
&end
#
# 195 PHE QD 206 LYS QG 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=3051,3059,
igr2=3248,3249,
&end
#
# 197 GLU HA 206 LYS QG 5.92
&rst
ixpk= 0, nxpk= 0, iat=3081, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=3248,3249,
&end
#
# 197 GLU H 206 LYS QG 5.37
&rst
ixpk= 0, nxpk= 0, iat=3079, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=3248,3249,
&end
#
# 45 LEU HA 45 LEU QD2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 708, 709, 710,
&end
#
# 41 VAL H 45 LEU QD2 5.95
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr2= 708, 709, 710,
&end
#
# 40 ARG HA 45 LEU QD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 708, 709, 710,
&end
#
# 39 PHE QB 45 LEU QD2 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1= 601, 602,
igr2= 708, 709, 710,
&end
#
# 73 LYS HG2 73 LYS QD 3.48
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1159,1160,
&end
#
# 73 LYS HG3 73 LYS QD 3.25
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1159,1160,
&end
#
# 79 LEU QD2 80 GLN QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1265,1266,1267,
igr2=1275,1276,
&end
#
# 36 VAL HA 36 VAL QG1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 559, 560, 561,
&end
#
# 107 LYS HD2 108 GLU H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1704,1716, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 107 LYS HA 107 LYS HD2 5.49
&rst
ixpk= 0, nxpk= 0, iat=1696,1704, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 36 VAL HA 39 PHE H 5.94
&rst
ixpk= 0, nxpk= 0, iat= 555, 597, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 202 LYS HA 202 LYS QG 3.93
&rst
ixpk= 0, nxpk= 0, iat=3165, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=3170,3171,
&end
#
# 36 VAL QG1 40 ARG HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 559, 560, 561,
&end
#
# 36 VAL QG1 40 ARG HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 622, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 559, 560, 561,
&end
#
# 75 VAL QG1 113 PRO HG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1188,1189,1190,
&end
#
# 75 VAL QG1 113 PRO HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1188,1189,1190,
&end
#
# 185 ARG QG 186 SER H 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2896,2897,
&end
#
# 58 ARG HA 58 ARG QG 4.39
&rst
ixpk= 0, nxpk= 0, iat= 897, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 902, 903,
&end
#
# 156 LEU HA 156 LEU QD2 4.74
&rst
ixpk= 0, nxpk= 0, iat=2452, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2463,2464,2465,
&end
#
# 155 ASP H 156 LEU QD2 5.65
&rst
ixpk= 0, nxpk= 0, iat=2438, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=2463,2464,2465,
&end
#
# 19 CYS QB 114 TRP HZ3 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 305, 306,
&end
#
# 185 ARG HA 185 ARG QG 4.71
&rst
ixpk= 0, nxpk= 0, iat=2891, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2896,2897,
&end
#
# 26 VAL H 35 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 543, 544, 545,
&end
#
# 35 LEU QD1 36 VAL HA 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 543, 544, 545,
&end
#
# 106 CYS QB 107 LYS QG 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1687,1688,
igr2=1701,1702,
&end
#
# 58 ARG QG 59 CYS HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 902, 903,
&end
#
# 26 VAL QG2 35 LEU QD1 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 413, 414, 415,
igr2= 543, 544, 545,
&end
#
# 165 ILE HA 165 ILE QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2583,2584,
&end
#
# 128 ARG QG 129 LEU H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2039,2040,
&end
#
# 46 SER QB 48 GLU QG 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 718, 719,
igr2= 748, 749,
&end
#
# 46 SER QB 68 VAL QG1 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 718, 719,
igr2=1070,1071,1072,
&end
#
# 92 LEU H 92 LEU HG 6
&rst
ixpk= 0, nxpk= 0, iat=1426,1433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 ARG QG 129 LEU HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2039,2040,
&end
#
# 191 VAL HA 194 ALA QB 5.29
&rst
ixpk= 0, nxpk= 0, iat=2998, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=3037,3038,3039,
&end
#
# 144 LEU QD2 165 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2292,2293,2294,
igr2=2586,2587,2588,
&end
#
# 144 LEU QD2 148 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=2292,2293,2294,
igr2=2341,2342,2343,
&end
#
# 37 ASN HA 40 ARG HG3 4.83
&rst
ixpk= 0, nxpk= 0, iat= 571, 625, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 140 LEU H 144 LEU QD2 5.86
&rst
ixpk= 0, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=2292,2293,2294,
&end
#
# 144 LEU QD2 148 ALA HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2292,2293,2294,
&end
#
# 75 VAL H 78 LEU QD2 5.6
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1246,1247,1248,
&end
#
# 39 PHE QB 78 LEU QD2 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
igr1= 601, 602,
igr2=1246,1247,1248,
&end
#
# 78 LEU HA 78 LEU QD2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1246,1247,1248,
&end
#
# 40 ARG H 40 ARG HG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 617, 624, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 40 ARG HG2 41 VAL H 5.51
&rst
ixpk= 0, nxpk= 0, iat= 624, 641, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 40 ARG HG3 41 VAL H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 625, 641, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 40 ARG HG3 45 LEU QD2 5.69
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 708, 709, 710,
&end
#
# 23 LEU QD2 111 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 383, 384, 385,
igr2=1774,1775,1776,
&end
#
# 23 LEU QD2 67 LEU QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 383, 384, 385,
igr2=1054,1055,1056,
&end
#
# 200 THR QG2 201 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3151, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3141,3142,3143,
&end
#
# 71 LEU QD2 72 GLU H 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1128,1129,1130,
&end
#
# 23 LEU H 23 LEU QD2 5.55
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 383, 384, 385,
&end
#
# 23 LEU HA 23 LEU QD2 5.64
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2= 383, 384, 385,
&end
#
# 23 LEU QD2 109 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 383, 384, 385,
igr2=1741,1742,1743,
&end
#
# 167 THR QG2 173 PRO HG2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2716, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2610,2611,2612,
&end
#
# 201 THR HA 201 THR QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=3151, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=3155,3156,3157,
&end
#
# 69 PHE H 71 LEU QD2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1128,1129,1130,
&end
#
# 40 ARG HA 45 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 704, 705, 706,
&end
#
# 116 LEU HA 116 LEU QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1866,1867,1868,
&end
#
# 140 LEU H 140 LEU QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2228,2229,2230,
&end
#
# 138 GLY QA 140 LEU QD1 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=2204,2205,
igr2=2228,2229,2230,
&end
#
# 173 PRO HG2 176 SER H 5.52
&rst
ixpk= 0, nxpk= 0, iat=2716,2752, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 173 PRO HG2 174 ILE QG2 5.96
&rst
ixpk= 0, nxpk= 0, iat=2716, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2732,2733,2734,
&end
#
# 167 THR QG2 173 PRO HG3 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2610,2611,2612,
&end
#
# 4 SER QB 200 THR QG2 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1= 63, 64,
igr2=3141,3142,3143,
&end
#
# 189 LYS H 189 LYS HG3 5.08
&rst
ixpk= 0, nxpk= 0, iat=2964,2972, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 189 LYS HG3 190 ALA H 5.3
&rst
ixpk= 0, nxpk= 0, iat=2972,2986, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 122 VAL QG2 124 SER QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1949,1950,1951,
igr2=1983,1984,
&end
#
# 4 SER QB 5 GLY H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 63, 64,
&end
#
# 152 ILE HA 155 ASP HB2 5.73
&rst
ixpk= 0, nxpk= 0, iat=2388,2442, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 83 SER QB 96 TYR QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1313,1314,
igr2=1500,1509,
&end
#
# 83 SER QB 98 LYS QE 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1313,1314,
igr2=1546,1547,
&end
#
# 98 LYS QG 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1540,1541,
&end
#
# 98 LYS QG 108 GLU H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1540,1541,
&end
#
# 188 LEU QD2 189 LYS H 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2964, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=2958,2959,2960,
&end
#
# 149 LEU QD1 153 LEU QD2 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=2356,2357,2358,
igr2=2418,2419,2420,
&end
#
# 149 LEU HA 149 LEU QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2356,2357,2358,
&end
#
# 137 VAL QG1 149 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=2192,2193,2194,
igr2=2356,2357,2358,
&end
#
# 124 SER QB 126 SER H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2004, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1983,1984,
&end
#
# 7 LEU QB 7 LEU QD2 4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 98, 99,
igr2= 107, 108, 109,
&end
#
# 87 LEU HB3 87 LEU QD1 3.31
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1372,1373,1374,
&end
#
# 149 LEU QD1 153 LEU HG 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2412, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2356,2357,2358,
&end
#
# 23 LEU QD1 24 GLY H 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 379, 380, 381,
&end
#
# 23 LEU QD1 39 PHE HZ 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 379, 380, 381,
&end
#
# 23 LEU HA 23 LEU QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 379, 380, 381,
&end
#
# 23 LEU QD1 109 VAL QG2 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 379, 380, 381,
igr2=1741,1742,1743,
&end
#
# 23 LEU QD1 67 LEU QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1= 379, 380, 381,
igr2=1054,1055,1056,
&end
#
# 129 LEU QD2 162 TYR QD 5.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=2069,2070,2071,
igr2=2543,2552,
&end
#
# 129 LEU HB2 129 LEU QD2 4.4
&rst
ixpk= 0, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2069,2070,2071,
&end
#
# 129 LEU HA 129 LEU QD2 4.91
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2069,2070,2071,
&end
#
# 129 LEU HB3 129 LEU QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2069,2070,2071,
&end
#
# 79 LEU QD2 95 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1265,1266,1267,
igr2=1479,1488,
&end
#
# 47 VAL HA 67 LEU QD1 5.62
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1054,1055,1056,
&end
#
# 39 PHE QD 67 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 605, 613,
igr2=1054,1055,1056,
&end
#
# 61 PRO HA 62 LYS QG 5.13
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 965, 966,
&end
#
# 153 LEU HA 153 LEU QD2 5.03
&rst
ixpk= 0, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2418,2419,2420,
&end
#
# 67 LEU H 67 LEU QD1 5.95
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr2=1054,1055,1056,
&end
#
# 47 VAL QG2 67 LEU QD1 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1= 735, 736, 737,
igr2=1054,1055,1056,
&end
#
# 45 LEU QD2 67 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 708, 709, 710,
igr2=1054,1055,1056,
&end
#
# 163 ALA QB 164 GLY H 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2560,2561,2562,
&end
#
# 152 ILE H 153 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2418,2419,2420,
&end
#
# 149 LEU HA 153 LEU QD2 5.3
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2418,2419,2420,
&end
#
# 152 ILE QG1 153 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2396,2397,
igr2=2418,2419,2420,
&end
#
# 61 PRO HA 62 LYS QB 5.63
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 962, 963,
&end
#
# 44 SER H 44 SER HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 684, 688, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 44 SER HB2 70 GLU QG 4.7
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1107,1108,
&end
#
# 40 ARG QD 41 VAL HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 627, 628,
&end
#
# 44 SER HB3 45 LEU H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 689, 695, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 44 SER HB3 70 GLU HB3 4.9
&rst
ixpk= 0, nxpk= 0, iat= 689,1105, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 15 PRO HA 116 LEU QB 5.82
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1857,1858,
&end
#
# 15 PRO HA 16 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 256, 257, 258,
&end
#
# 192 SER H 192 SER HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat=3012,3016, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 192 SER HB2 193 ALA H 4.92
&rst
ixpk= 0, nxpk= 0, iat=3016,3023, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 188 LEU QD2 192 SER HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,3016, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2958,2959,2960,
&end
#
# 192 SER HB3 193 ALA QB 5.5
&rst
ixpk= 0, nxpk= 0, iat=3017, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=3027,3028,3029,
&end
#
# 70 GLU HA 73 LYS HG3 5.76
&rst
ixpk= 0, nxpk= 0, iat=1102,1157, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 180 THR QG2 181 PHE HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2826, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2816,2817,2818,
&end
#
# 180 THR QG2 181 PHE H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2816,2817,2818,
&end
#
# 15 PRO HA 16 ILE HG12 5.52
&rst
ixpk= 0, nxpk= 0, iat= 246, 260, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 15 PRO HA 16 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 263, 264, 265,
&end
#
# 73 LYS HG2 74 SER H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 140 LEU HA 140 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2232,2233,2234,
&end
#
# 15 PRO HA 116 LEU QD1 5.73
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=1862,1863,1864,
&end
#
# 45 LEU QD1 74 SER HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 704, 705, 706,
&end
#
# 77 SER HB3 78 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1242,1243,1244,
&end
#
# 162 TYR QB 180 THR QG2 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2539,2540,
igr2=2816,2817,2818,
&end
#
# 140 LEU QD2 207 VAL HB 5.8
&rst
ixpk= 0, nxpk= 0, iat= -1,3267, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=2232,2233,2234,
&end
#
# 9 PRO HA 10 ARG HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= 137, 143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 129 LEU QD1 162 TYR QD 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=2065,2066,2067,
igr2=2543,2552,
&end
#
# 129 LEU QD1 162 TYR QE 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
igr1=2065,2066,2067,
igr2=2545,2550,
&end
#
# 129 LEU HA 129 LEU QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2065,2066,2067,
&end
#
# 77 SER HB2 78 LEU H 5.6
&rst
ixpk= 0, nxpk= 0, iat=1226,1233, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 116 LEU HA 116 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1862,1863,1864,
&end
#
# 40 ARG HA 78 LEU QD1 5.77
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1242,1243,1244,
&end
#
# 39 PHE QB 78 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 601, 602,
igr2=1242,1243,1244,
&end
#
# 75 VAL HA 78 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1242,1243,1244,
&end
#
# 36 VAL H 36 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 563, 564, 565,
&end
#
# 36 VAL HA 36 VAL QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 563, 564, 565,
&end
#
# 129 LEU HB3 129 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2065,2066,2067,
&end
#
# 71 LEU QD1 72 GLU H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1124,1125,1126,
&end
#
# 71 LEU HB3 71 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1124,1125,1126,
&end
#
# 76 ARG QG 77 SER HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1205,1206,
&end
#
# 74 SER HA 77 SER H 5.7
&rst
ixpk= 0, nxpk= 0, iat=1173,1222, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 75 VAL H 75 VAL QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1192,1193,1194,
&end
#
# 47 VAL HA 47 VAL QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 735, 736, 737,
&end
#
# 149 LEU QD2 153 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2360,2361,2362,
&end
#
# 77 SER HA 80 GLN QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1275,1276,
&end
#
# 25 GLY H 26 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 409, 410, 411,
&end
#
# 149 LEU H 149 LEU QD2 5.41
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2360,2361,2362,
&end
#
# 149 LEU HA 149 LEU QD2 4.59
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2360,2361,2362,
&end
#
# 149 LEU QD2 152 ILE QD1 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=2360,2361,2362,
igr2=2399,2400,2401,
&end
#
# 65 VAL H 65 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1018,1019,1020,
&end
#
# 160 VAL HA 161 VAL HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=2505,2521, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 109 VAL HA 109 VAL QG1 4.35
&rst
ixpk= 0, nxpk= 0, iat=1733, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1737,1738,1739,
&end
#
# 21 VAL QG2 111 VAL QG1 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 344, 345, 346,
igr2=1770,1771,1772,
&end
#
# 32 GLU HA 36 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 563, 564, 565,
&end
#
# 201 THR QG2 202 LYS H 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1,3163, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=3155,3156,3157,
&end
#
# 109 VAL H 109 VAL QG1 5.07
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1737,1738,1739,
&end
#
# 188 LEU HA 188 LEU QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat=2947, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2954,2955,2956,
&end
#
# 156 LEU HA 156 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat=2452, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2459,2460,2461,
&end
#
# 21 VAL QG2 113 PRO HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 344, 345, 346,
&end
#
# 179 VAL QG1 181 PHE QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2800,2801,2802,
igr2=2834,2838,
&end
#
# 164 GLY H 179 VAL QG1 4.99
&rst
ixpk= 0, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2800,2801,2802,
&end
#
# 135 VAL QG2 179 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2160,2161,2162,
igr2=2800,2801,2802,
&end
#
# 31 THR QG2 33 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 494, 495, 496,
igr2= 521, 522, 523,
&end
#
# 21 VAL QG2 23 LEU HB2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 344, 345, 346,
&end
#
# 188 LEU HA 191 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=2947, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=3006,3007,3008,
&end
#
# 191 VAL HA 191 VAL QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2998, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=3006,3007,3008,
&end
#
# 32 GLU HA 35 LEU QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 543, 544, 545,
&end
#
# 190 ALA H 191 VAL QG2 5.55
&rst
ixpk= 0, nxpk= 0, iat=2986, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=3006,3007,3008,
&end
#
# 191 VAL QG2 192 SER HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3017, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3006,3007,3008,
&end
#
# 36 VAL HB 47 VAL QG1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 731, 732, 733,
&end
#
# 191 VAL QG1 192 SER HA 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,3014, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=3002,3003,3004,
&end
#
# 72 GLU HA 74 SER H 5.83
&rst
ixpk= 0, nxpk= 0, iat=1136,1171, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 21 VAL QG1 67 LEU QD1 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 340, 341, 342,
igr2=1054,1055,1056,
&end
#
# 195 PHE QD 196 VAL QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=3051,3059,
igr2=3073,3074,3075,
&end
#
# 196 VAL QG2 207 VAL HB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,3267, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=3073,3074,3075,
&end
#
# 31 THR QG2 32 GLU H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 494, 495, 496,
&end
#
# 200 THR H 204 THR QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=3135, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=3211,3212,3213,
&end
#
# 196 VAL QG1 197 GLU H 5
&rst
ixpk= 0, nxpk= 0, iat= -1,3079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=3069,3070,3071,
&end
#
# 196 VAL QG1 206 LYS QG 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=3069,3070,3071,
igr2=3248,3249,
&end
#
# 21 VAL QG1 113 PRO HA 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 340, 341, 342,
&end
#
# 47 VAL HA 47 VAL QG1 3.87
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 731, 732, 733,
&end
#
# 196 VAL QG2 197 GLU H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,3079, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=3073,3074,3075,
&end
#
# 115 VAL QG1 116 LEU HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1855, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1843,1844,1845,
&end
#
# 185 ARG HA 189 LYS H 5.91
&rst
ixpk= 0, nxpk= 0, iat=2891,2964, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 204 THR QG2 205 LYS H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=3211,3212,3213,
&end
#
# 204 THR HA 204 THR QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=3207, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=3211,3212,3213,
&end
#
# 36 VAL HA 47 VAL QG1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 731, 732, 733,
&end
#
# 3 TRP HZ2 196 VAL QG2 5.75
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=3073,3074,3075,
&end
#
# 191 VAL QG1 194 ALA H 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1,3033, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=3002,3003,3004,
&end
#
# 191 VAL HA 191 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat=2998, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=3002,3003,3004,
&end
#
# 47 VAL QG2 67 LEU QD2 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 735, 736, 737,
igr2=1058,1059,1060,
&end
#
# 46 SER HA 67 LEU QD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1058,1059,1060,
&end
#
# 47 VAL QG1 67 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 731, 732, 733,
igr2=1058,1059,1060,
&end
#
# 45 LEU QD2 67 LEU QD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 708, 709, 710,
igr2=1058,1059,1060,
&end
#
# 67 LEU H 67 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1058,1059,1060,
&end
#
# 44 SER HA 45 LEU HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= 686, 697, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 71 LEU QD1 72 GLU HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1124,1125,1126,
&end
#
# 2 THR HA 2 THR QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 27, 28, 29,
&end
#
# 79 LEU HA 111 VAL QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1774,1775,1776,
&end
#
# 39 PHE QD 67 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 605, 613,
igr2=1058,1059,1060,
&end
#
# 26 VAL H 109 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1741,1742,1743,
&end
#
# 195 PHE QE 207 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=3053,3057,
igr2=3273,3274,3275,
&end
#
# 200 THR QG2 204 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=3141,3142,3143,
igr2=3211,3212,3213,
&end
#
# 122 VAL QG2 123 ARG H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1949,1950,1951,
&end
#
# 95 TYR QB 111 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1475,1476,
igr2=1770,1771,1772,
&end
#
# 21 VAL HB 111 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1770,1771,1772,
&end
#
# 122 VAL QG2 163 ALA H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1949,1950,1951,
&end
#
# 79 LEU QD1 111 VAL QG1 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1261,1262,1263,
igr2=1770,1771,1772,
&end
#
# 29 ASP QB 30 ILE HA 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 461, 462,
&end
#
# 76 ARG HA 79 LEU H 5.71
&rst
ixpk= 0, nxpk= 0, iat=1200,1252, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 122 VAL HA 122 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat=1941, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1945,1946,1947,
&end
#
# 38 THR QG2 39 PHE HZ 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 589, 590, 591,
&end
#
# 38 THR QG2 39 PHE QE 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
igr1= 589, 590, 591,
igr2= 607, 611,
&end
#
# 38 THR HA 38 THR QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 589, 590, 591,
&end
#
# 38 THR QG2 39 PHE QB 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1= 589, 590, 591,
igr2= 601, 602,
&end
#
# 68 VAL QG1 69 PHE H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1070,1071,1072,
&end
#
# 68 VAL H 68 VAL QG1 5.33
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1070,1071,1072,
&end
#
# 122 VAL H 122 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1945,1946,1947,
&end
#
# 38 THR QG2 97 PHE QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 589, 590, 591,
igr2=1523,1527,
&end
#
# 38 THR QG2 99 MET HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1560, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 589, 590, 591,
&end
#
# 153 LEU HA 156 LEU H 5.3
&rst
ixpk= 0, nxpk= 0, iat=2407,2450, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 189 LYS HA 192 SER H 5.73
&rst
ixpk= 0, nxpk= 0, iat=2966,3012, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 189 LYS HA 193 ALA H 5.77
&rst
ixpk= 0, nxpk= 0, iat=2966,3023, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 134 THR QG2 178 ARG QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2142,2143,2144,
igr2=2774,2775,
&end
#
# 75 VAL H 75 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1188,1189,1190,
&end
#
# 75 VAL QG1 76 ARG HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1188,1189,1190,
&end
#
# 75 VAL QG1 79 LEU QD2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1=1188,1189,1190,
igr2=1265,1266,1267,
&end
#
# 70 GLU HA 70 GLU QG 4.17
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1107,1108,
&end
#
# 77 SER HA 81 ALA QB 5.44
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1292,1293,1294,
&end
#
# 81 ALA H 81 ALA QB 4.02
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1292,1293,1294,
&end
#
# 78 LEU HA 81 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1292,1293,1294,
&end
#
# 134 THR QG2 212 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2142,2143,2144,
igr2=3351,3356,
&end
#
# 133 ARG QD 134 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2122,2123,
igr2=2142,2143,2144,
&end
#
# 73 LYS HA 76 ARG QG 4.47
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1205,1206,
&end
#
# 73 LYS HA 76 ARG HD3 5.79
&rst
ixpk= 0, nxpk= 0, iat=1151,1209, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 41 VAL QG1 42 PHE HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 647, 648, 649,
&end
#
# 41 VAL HA 41 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 647, 648, 649,
&end
#
# 73 LYS HA 76 ARG H 5.63
&rst
ixpk= 0, nxpk= 0, iat=1151,1198, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 73 LYS HA 74 SER HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=1151,1173, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 79 LEU H 79 LEU QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1261,1262,1263,
&end
#
# 79 LEU QD1 80 GLN H 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1261,1262,1263,
&end
#
# 79 LEU HA 79 LEU QD1 4.9
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1261,1262,1263,
&end
#
# 76 ARG HA 79 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1261,1262,1263,
&end
#
# 161 VAL H 179 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=2519, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2804,2805,2806,
&end
#
# 162 TYR H 179 VAL QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2804,2805,2806,
&end
#
# 160 VAL HA 179 VAL QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat=2505, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2804,2805,2806,
&end
#
# 179 VAL QG2 181 PHE HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2829, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2804,2805,2806,
&end
#
# 163 ALA QB 179 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=2560,2561,2562,
igr2=2804,2805,2806,
&end
#
# 135 VAL QG2 179 VAL QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2160,2161,2162,
igr2=2804,2805,2806,
&end
#
# 26 VAL QG2 64 TYR HA 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 989, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr1= 413, 414, 415,
&end
#
# 26 VAL H 26 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 413, 414, 415,
&end
#
# 79 LEU QD1 80 GLN QB 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1=1261,1262,1263,
igr2=1275,1276,
&end
#
# 78 LEU QD1 79 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1242,1243,1244,
igr2=1261,1262,1263,
&end
#
# 148 ALA QB 149 LEU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2341,2342,2343,
&end
#
# 148 ALA QB 152 ILE QD1 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.73, r4= 8.23,
igr1=2341,2342,2343,
igr2=2399,2400,2401,
&end
#
# 67 LEU H 68 VAL QG2 5.73
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=1074,1075,1076,
&end
#
# 47 VAL HA 68 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1074,1075,1076,
&end
#
# 48 GLU QG 68 VAL QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 748, 749,
igr2=1074,1075,1076,
&end
#
# 46 SER HA 68 VAL QG2 5.3
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1074,1075,1076,
&end
#
# 47 VAL QG2 68 VAL QG2 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr1= 735, 736, 737,
igr2=1074,1075,1076,
&end
#
# 45 LEU QD2 68 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 708, 709, 710,
igr2=1074,1075,1076,
&end
#
# 40 ARG HG3 41 VAL QG2 5.88
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2= 651, 652, 653,
&end
#
# 79 LEU HA 79 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1265,1266,1267,
&end
#
# 189 LYS HG2 193 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat=2971, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=3027,3028,3029,
&end
#
# 116 LEU QB 117 ALA QB 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1857,1858,
igr2=1876,1877,1878,
&end
#
# 135 VAL H 135 VAL QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2160,2161,2162,
&end
#
# 41 VAL H 41 VAL QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 651, 652, 653,
&end
#
# 41 VAL HA 41 VAL QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 651, 652, 653,
&end
#
# 36 VAL QG1 41 VAL QG2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.52, r4= 9.02,
igr1= 559, 560, 561,
igr2= 651, 652, 653,
&end
#
# 153 LEU H 154 ASN HA 5.67
&rst
ixpk= 0, nxpk= 0, iat=2405,2426, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 193 ALA H 194 ALA HA 5.7
&rst
ixpk= 0, nxpk= 0, iat=3023,3035, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 194 ALA QB 195 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,3043, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=3037,3038,3039,
&end
#
# 194 ALA QB 195 PHE QD 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=3037,3038,3039,
igr2=3051,3059,
&end
#
# 194 ALA QB 208 GLN HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3287, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3037,3038,3039,
&end
#
# 194 ALA QB 209 ILE HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,3300, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=3037,3038,3039,
&end
#
# 117 ALA QB 118 ASP H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1876,1877,1878,
&end
#
# 135 VAL QG2 179 VAL H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2160,2161,2162,
&end
#
# 135 VAL QG2 181 PHE HZ 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2836, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2160,2161,2162,
&end
#
# 207 VAL H 207 VAL QG1 4.71
&rst
ixpk= 0, nxpk= 0, iat=3263, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=3269,3270,3271,
&end
#
# 30 ILE QG2 104 MET QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 475, 476, 477,
igr2=1653,1654,1655,
&end
#
# 30 ILE QG2 30 ILE QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 475, 476, 477,
igr2= 482, 483, 484,
&end
#
# 55 LYS HA 55 LYS QG 4.4
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 849, 850,
&end
#
# 123 ARG HA 124 SER QB 5.79
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1983,1984,
&end
#
# 195 PHE HA 207 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=3045, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3269,3270,3271,
&end
#
# 206 LYS HA 207 VAL QG1 5.77
&rst
ixpk= 0, nxpk= 0, iat=3243, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=3269,3270,3271,
&end
#
# 29 ASP QB 30 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 461, 462,
igr2= 475, 476, 477,
&end
#
# 190 ALA QB 191 VAL H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2996, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2990,2991,2992,
&end
#
# 189 LYS HB3 190 ALA QB 5.53
&rst
ixpk= 0, nxpk= 0, iat=2969, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2990,2991,2992,
&end
#
# 190 ALA QB 193 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1=2990,2991,2992,
igr2=3027,3028,3029,
&end
#
# 190 ALA QB 209 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2990,2991,2992,
igr2=3309,3310,3311,
&end
#
# 190 ALA QB 191 VAL QG2 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2990,2991,2992,
igr2=3006,3007,3008,
&end
#
# 78 LEU HA 78 LEU QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1242,1243,1244,
&end
#
# 147 GLU HA 150 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2370,2371,2372,
&end
#
# 150 ALA QB 151 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2370,2371,2372,
&end
#
# 154 ASN HD21 155 ASP HA 6
&rst
ixpk= 0, nxpk= 0, iat=2434,2440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 PHE QB 78 LEU HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 601, 602,
&end
#
# 188 LEU HA 188 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat=2947, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2958,2959,2960,
&end
#
# 32 GLU H 33 ALA QB 5.63
&rst
ixpk= 0, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 521, 522, 523,
&end
#
# 174 ILE H 174 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2732,2733,2734,
&end
#
# 174 ILE QG2 176 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2752, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2732,2733,2734,
&end
#
# 136 PHE H 209 ILE QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=3302,3303,3304,
&end
#
# 209 ILE QG2 210 ASP H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,3315, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=3302,3303,3304,
&end
#
# 135 VAL HA 209 ILE QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=3302,3303,3304,
&end
#
# 191 VAL HA 209 ILE QG2 5.11
&rst
ixpk= 0, nxpk= 0, iat=2998, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=3302,3303,3304,
&end
#
# 194 ALA QB 209 ILE QG2 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
igr1=3037,3038,3039,
igr2=3302,3303,3304,
&end
#
# 135 VAL QG1 209 ILE QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2156,2157,2158,
igr2=3302,3303,3304,
&end
#
# 191 VAL H 209 ILE QG2 5.51
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=3302,3303,3304,
&end
#
# 155 ASP H 156 LEU HA 5.92
&rst
ixpk= 0, nxpk= 0, iat=2438,2452, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 126 SER H 127 GLN HA 5.54
&rst
ixpk= 0, nxpk= 0, iat=2004,2017, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 33 ALA QB 34 GLY H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 521, 522, 523,
&end
#
# 32 GLU QB 33 ALA QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 506, 507,
igr2= 521, 522, 523,
&end
#
# 151 ALA QB 152 ILE HB 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2390, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2380,2381,2382,
&end
#
# 194 ALA HA 209 ILE QG2 5.32
&rst
ixpk= 0, nxpk= 0, iat=3035, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=3302,3303,3304,
&end
#
# 188 LEU HA 192 SER H 5.8
&rst
ixpk= 0, nxpk= 0, iat=2947,3012, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 148 ALA QB 151 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=2341,2342,2343,
igr2=2380,2381,2382,
&end
#
# 147 GLU HA 151 ALA QB 5.83
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=2380,2381,2382,
&end
#
# 145 ASN QB 146 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2302,2303,
igr2=2316,2317,2318,
&end
#
# 3 TRP HZ3 198 ILE QG2 5
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3100,3101,3102,
&end
#
# 2 THR QG2 198 ILE QG2 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 27, 28, 29,
igr2=3100,3101,3102,
&end
#
# 198 ILE QG2 198 ILE QD1 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=3100,3101,3102,
igr2=3107,3108,3109,
&end
#
# 3 TRP HE3 198 ILE QG2 5.92
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=3100,3101,3102,
&end
#
# 156 LEU HA 157 PHE HA 5.86
&rst
ixpk= 0, nxpk= 0, iat=2452,2471, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 1 MET HG2 1 MET QE 4.49
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 15, 16, 17,
&end
#
# 1 MET QE 189 LYS HG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2971, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 189 LYS HG3 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2972, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 157 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2469, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 15, 16, 17,
&end
#
# 151 ALA H 151 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat=2376, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2380,2381,2382,
&end
#
# 148 ALA HA 151 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2380,2381,2382,
&end
#
# 110 GLN HE22 112 ILE QG2 5.97
&rst
ixpk= 0, nxpk= 0, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1786,1787,1788,
&end
#
# 146 ALA QB 147 GLU HA 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2324, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2316,2317,2318,
&end
#
# 16 ILE QG2 17 TYR H 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 256, 257, 258,
&end
#
# 16 ILE HA 16 ILE QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 256, 257, 258,
&end
#
# 39 PHE QE 99 MET QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 607, 611,
igr2=1566,1567,1568,
&end
#
# 26 VAL HA 99 MET QE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1566,1567,1568,
&end
#
# 99 MET HG2 99 MET QE 4.01
&rst
ixpk= 0, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1566,1567,1568,
&end
#
# 99 MET HG3 99 MET QE 3.94
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1566,1567,1568,
&end
#
# 104 MET QB 104 MET QE 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1646,1647,
igr2=1653,1654,1655,
&end
#
# 30 ILE QD1 104 MET QE 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 482, 483, 484,
igr2=1653,1654,1655,
&end
#
# 26 VAL QG2 99 MET QE 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 413, 414, 415,
igr2=1566,1567,1568,
&end
#
# 165 ILE H 165 ILE QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2579,2580,2581,
&end
#
# 165 ILE QG2 165 ILE QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=2579,2580,2581,
igr2=2586,2587,2588,
&end
#
# 37 ASN HA 40 ARG HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 571, 621, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 36 VAL QG1 37 ASN HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 559, 560, 561,
&end
#
# 139 ALA QB 195 PHE QE 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
igr1=2213,2214,2215,
igr2=3053,3057,
&end
#
# 139 ALA H 139 ALA QB 4.39
&rst
ixpk= 0, nxpk= 0, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2213,2214,2215,
&end
#
# 139 ALA QB 208 GLN H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,3279, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=2213,2214,2215,
&end
#
# 138 GLY QA 139 ALA QB 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=2204,2205,
igr2=2213,2214,2215,
&end
#
# 139 ALA QB 175 GLY QA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2213,2214,2215,
igr2=2747,2748,
&end
#
# 201 THR QG2 202 LYS HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3165, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3155,3156,3157,
&end
#
# 140 LEU HA 140 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat=2221, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2228,2229,2230,
&end
#
# 151 ALA HA 154 ASN H 5.57
&rst
ixpk= 0, nxpk= 0, iat=2378,2424, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 150 ALA HA 151 ALA HA 5.94
&rst
ixpk= 0, nxpk= 0, iat=2368,2378, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 87 LEU HA 88 SER HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1365,1386, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 86 PRO QD 87 LEU HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1350,1351,
&end
#
# 86 PRO HG2 87 LEU HA 5
&rst
ixpk= 0, nxpk= 0, iat=1353,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 LEU HA 87 LEU HB3 3.33
&rst
ixpk= 0, nxpk= 0, iat=1365,1368, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 192 SER HB3 193 ALA HA 5.96
&rst
ixpk= 0, nxpk= 0, iat=3017,3025, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 32 GLU QB 33 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 506, 507,
&end
#
# 48 GLU HA 68 VAL QG2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1074,1075,1076,
&end
#
# 193 ALA HA 209 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=3025, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3309,3310,3311,
&end
#
# 33 ALA HA 36 VAL HB 4.93
&rst
ixpk= 0, nxpk= 0, iat= 519, 557, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 33 ALA HA 36 VAL H 5.88
&rst
ixpk= 0, nxpk= 0, iat= 519, 553, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 92 LEU HA 92 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1435,1436,1437,
&end
#
# 133 ARG HA 212 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3351,3356,
&end
#
# 106 CYS QB 107 LYS HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1696, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1687,1688,
&end
#
# 190 ALA HA 194 ALA H 5.4
&rst
ixpk= 0, nxpk= 0, iat=2988,3033, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 190 ALA HA 193 ALA QB 5.28
&rst
ixpk= 0, nxpk= 0, iat=2988, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=3027,3028,3029,
&end
#
# 198 ILE QD1 203 PHE HE1 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,3195, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=3107,3108,3109,
&end
#
# 90 ASP HA 91 GLY H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1409,1419, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 129 LEU HA 162 TYR QE 5.84
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2545,2550,
&end
#
# 198 ILE H 198 ILE QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=3107,3108,3109,
&end
#
# 152 ILE QG1 198 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2396,2397,
igr2=3107,3108,3109,
&end
#
# 152 ILE HA 152 ILE QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat=2388, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2396,2397,
&end
#
# 152 ILE QG1 207 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2396,2397,
igr2=3269,3270,3271,
&end
#
# 148 ALA HA 152 ILE QG1 5.92
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=2396,2397,
&end
#
# 129 LEU HA 130 ASP HB3 5.51
&rst
ixpk= 0, nxpk= 0, iat=2058,2080, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 152 ILE QD1 153 LEU H 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=2399,2400,2401,
&end
#
# 6 GLN HA 7 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 103, 104, 105,
&end
#
# 149 LEU HA 152 ILE QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2399,2400,2401,
&end
#
# 152 ILE H 152 ILE QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2399,2400,2401,
&end
#
# 152 ILE HA 152 ILE QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat=2388, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2399,2400,2401,
&end
#
# 152 ILE QD1 207 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2399,2400,2401,
igr2=3269,3270,3271,
&end
#
# 30 ILE QD1 35 LEU H 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 482, 483, 484,
&end
#
# 30 ILE QD1 34 GLY H 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1= 482, 483, 484,
&end
#
# 30 ILE HA 30 ILE QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 482, 483, 484,
&end
#
# 28 TRP HB2 30 ILE QD1 5.57
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2= 482, 483, 484,
&end
#
# 145 ASN QB 174 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2302,2303,
igr2=2739,2740,2741,
&end
#
# 209 ILE HB 209 ILE QD1 4.21
&rst
ixpk= 0, nxpk= 0, iat=3300, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=3309,3310,3311,
&end
#
# 138 GLY QA 139 ALA HA 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2211, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=2204,2205,
&end
#
# 139 ALA HA 140 LEU QD2 5.92
&rst
ixpk= 0, nxpk= 0, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=2232,2233,2234,
&end
#
# 112 ILE HA 112 ILE QD1 5.94
&rst
ixpk= 0, nxpk= 0, iat=1782, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1793,1794,1795,
&end
#
# 112 ILE QG2 112 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1=1786,1787,1788,
igr2=1793,1794,1795,
&end
#
# 16 ILE QD1 17 TYR H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 263, 264, 265,
&end
#
# 16 ILE QG2 16 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= 256, 257, 258,
igr2= 263, 264, 265,
&end
#
# 16 ILE HA 16 ILE QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 263, 264, 265,
&end
#
# 86 PRO QD 87 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=1350,1351,
igr2=1372,1373,1374,
&end
#
# 165 ILE QD1 166 ASP H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2586,2587,2588,
&end
#
# 114 TRP HD1 115 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1821,1837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 115 VAL H 115 VAL HB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1837,1841, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 115 VAL H 115 VAL QG1 5.19
&rst
ixpk= 0, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1843,1844,1845,
&end
#
# 198 ILE H 203 PHE HE1 6
&rst
ixpk= 0, nxpk= 0, iat=3094,3195, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 TRP HE1 116 LEU QB 5.75
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1857,1858,
&end
#
# 114 TRP HE1 119 SER QB 5.06
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1898,1899,
&end
#
# 114 TRP QB 114 TRP HE1 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1817,1818,
&end
#
# 28 TRP HE1 104 MET QG 5.15
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1649,1650,
&end
#
# 28 TRP HE1 104 MET QE 5.29
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1653,1654,1655,
&end
#
# 28 TRP H 28 TRP HE1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 198 ILE H 198 ILE QG2 5.75
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=3100,3101,3102,
&end
#
# 26 VAL HB 28 TRP HE1 6
&rst
ixpk= 0, nxpk= 0, iat= 407, 443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 SER QB 199 LYS H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,3113, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 63, 64,
&end
#
# 199 LYS H 200 THR H 5.46
&rst
ixpk= 0, nxpk= 0, iat=3113,3135, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 198 ILE QD1 199 LYS H 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,3113, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=3107,3108,3109,
&end
#
# 166 ASP H 178 ARG H 5.52
&rst
ixpk= 0, nxpk= 0, iat=2592,2770, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 166 ASP H 177 GLY QA 5.61
&rst
ixpk= 0, nxpk= 0, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2765,2766,
&end
#
# 198 ILE HB 199 LYS H 5.79
&rst
ixpk= 0, nxpk= 0, iat=3098,3113, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 163 ALA H 164 GLY H 5.23
&rst
ixpk= 0, nxpk= 0, iat=2556,2566, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 162 TYR QD 163 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2543,2552,
&end
#
# 122 VAL HA 163 ALA H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1941,2556, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 163 ALA H 164 GLY QA 5.89
&rst
ixpk= 0, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2568,2569,
&end
#
# 163 ALA H 179 VAL QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat=2556, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2804,2805,2806,
&end
#
# 162 TYR QB 163 ALA H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=2539,2540,
&end
#
# 22 PHE H 23 LEU H 5.72
&rst
ixpk= 0, nxpk= 0, iat= 350, 370, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 23 LEU H 24 GLY H 5.64
&rst
ixpk= 0, nxpk= 0, iat= 370, 389, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 22 PHE QD 23 LEU H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 358, 366,
&end
#
# 23 LEU H 23 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 379, 380, 381,
&end
#
# 23 LEU H 110 GLN HE22 5.91
&rst
ixpk= 0, nxpk= 0, iat= 370,1759, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 196 VAL HB 197 GLU H 5.1
&rst
ixpk= 0, nxpk= 0, iat=3067,3079, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 69 PHE H 71 LEU QQD 5.73
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 96 TYR QD 111 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1500,1509,
&end
#
# 95 TYR QB 111 VAL H 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1475,1476,
&end
#
# 2 THR QG2 197 GLU H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,3079, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 27, 28, 29,
&end
#
# 68 VAL HB 69 PHE H 5.73
&rst
ixpk= 0, nxpk= 0, iat=1068,1080, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 111 VAL H 112 ILE H 5.62
&rst
ixpk= 0, nxpk= 0, iat=1764,1780, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 110 GLN QG 111 VAL H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1754,1755,
&end
#
# 111 VAL H 112 ILE QG2 5.93
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2=1786,1787,1788,
&end
#
# 111 VAL H 111 VAL QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1774,1775,1776,
&end
#
# 111 VAL H 111 VAL QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1770,1771,1772,
&end
#
# 16 ILE HG12 17 TYR H 5.73
&rst
ixpk= 0, nxpk= 0, iat= 260, 269, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 17 TYR H 17 TYR QD 5.02
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 277, 286,
&end
#
# 17 TYR H 116 LEU QD1 5.62
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1862,1863,1864,
&end
#
# 2 THR HB 3 TRP H 4.99
&rst
ixpk= 0, nxpk= 0, iat= 25, 35, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 3 TRP H 196 VAL HB 5.4
&rst
ixpk= 0, nxpk= 0, iat= 35,3067, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 2 THR QG2 3 TRP H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 27, 28, 29,
&end
#
# 97 PHE QE 98 LYS H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1533, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1523,1527,
&end
#
# 98 LYS H 98 LYS HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat=1533,1537, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 98 LYS H 98 LYS HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat=1533,1538, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 98 LYS H 99 MET H 5.22
&rst
ixpk= 0, nxpk= 0, iat=1533,1555, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 209 ILE HB 210 ASP H 5.17
&rst
ixpk= 0, nxpk= 0, iat=3300,3315, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 122 VAL H 122 VAL QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1949,1950,1951,
&end
#
# 98 LYS H 98 LYS QG 4.79
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1540,1541,
&end
#
# 97 PHE H 98 LYS H 5.65
&rst
ixpk= 0, nxpk= 0, iat=1513,1533, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 22 PHE H 112 ILE H 5.2
&rst
ixpk= 0, nxpk= 0, iat= 350,1780, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 22 PHE H 111 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1770,1771,1772,
&end
#
# 112 ILE H 112 ILE QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1786,1787,1788,
&end
#
# 111 VAL QG1 112 ILE H 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1770,1771,1772,
&end
#
# 200 THR H 205 LYS H 5.83
&rst
ixpk= 0, nxpk= 0, iat=3135,3219, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 198 ILE QG2 205 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3100,3101,3102,
&end
#
# 198 ILE QD1 205 LYS H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=3107,3108,3109,
&end
#
# 199 LYS QE 205 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3126,3127,
&end
#
# 21 VAL QG2 22 PHE H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 344, 345, 346,
&end
#
# 22 PHE H 22 PHE QD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 358, 366,
&end
#
# 123 ARG H 124 SER HA 5.97
&rst
ixpk= 0, nxpk= 0, iat=1955,1981, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 24 GLY QA 110 GLN H 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 391, 392,
&end
#
# 110 GLN H 111 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1774,1775,1776,
&end
#
# 122 VAL QG1 123 ARG H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1945,1946,1947,
&end
#
# 109 VAL HB 110 GLN H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1735,1747, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 110 GLN H 110 GLN QG 5.48
&rst
ixpk= 0, nxpk= 0, iat=1747, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1754,1755,
&end
#
# 109 VAL QG2 110 GLN H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1741,1742,1743,
&end
#
# 109 VAL QG1 110 GLN H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1737,1738,1739,
&end
#
# 136 PHE QD 137 VAL H 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=2174,2182,
&end
#
# 137 VAL H 178 ARG HA 5.22
&rst
ixpk= 0, nxpk= 0, iat=2186,2772, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 136 PHE QB 137 VAL H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2186, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2170,2171,
&end
#
# 137 VAL H 137 VAL QG1 4.73
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2192,2193,2194,
&end
#
# 99 MET QE 108 GLU H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1566,1567,1568,
&end
#
# 137 VAL H 138 GLY QA 6
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2204,2205,
&end
#
# 106 CYS QB 107 LYS H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1687,1688,
&end
#
# 107 LYS H 107 LYS QG 5
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1701,1702,
&end
#
# 106 CYS QB 108 GLU H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1687,1688,
&end
#
# 72 GLU H 72 GLU HG2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1134,1141, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 129 LEU H 129 LEU QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2065,2066,2067,
&end
#
# 129 LEU H 129 LEU QD2 5.05
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=2069,2070,2071,
&end
#
# 72 GLU H 72 GLU HB3 4.28
&rst
ixpk= 0, nxpk= 0, iat=1134,1139, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 71 LEU HB3 72 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1120,1134, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 71 LEU QQD 72 GLU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1124,1125,1126,1128,1129,1130,
&end
#
# 116 LEU H 116 LEU QD1 5.1
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1862,1863,1864,
&end
#
# 115 VAL QG2 116 LEU H 5.7
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=1847,1848,1849,
&end
#
# 116 LEU H 116 LEU QD2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1866,1867,1868,
&end
#
# 6 GLN HB3 7 LEU H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 82, 94, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 7 LEU H 7 LEU QD1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 103, 104, 105,
&end
#
# 159 GLY H 185 ARG QG 6
&rst
ixpk= 0, nxpk= 0, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2896,2897,
&end
#
# 6 GLN HA 7 LEU H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 79, 94, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 159 GLY H 185 ARG QD 5.94
&rst
ixpk= 0, nxpk= 0, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=2899,2900,
&end
#
# 159 GLY H 160 VAL QG1 5.4
&rst
ixpk= 0, nxpk= 0, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2509,2510,2511,
&end
#
# 195 PHE HA 209 ILE H 5.89
&rst
ixpk= 0, nxpk= 0, iat=3045,3296, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 208 GLN HG3 209 ILE H 5.42
&rst
ixpk= 0, nxpk= 0, iat=3287,3296, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 209 ILE H 209 ILE QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat=3296, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=3309,3310,3311,
&end
#
# 78 LEU H 79 LEU H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1233,1252, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 78 LEU H 81 ALA QB 5.88
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr2=1292,1293,1294,
&end
#
# 78 LEU H 78 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1246,1247,1248,
&end
#
# 97 PHE H 111 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1513,1764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 78 LEU H 79 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1261,1262,1263,
&end
#
# 78 LEU H 78 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1242,1243,1244,
&end
#
# 76 ARG HA 78 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1200,1233, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 PHE H 98 LYS HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1513,1535, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 97 PHE H 111 VAL QG2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1774,1775,1776,
&end
#
# 83 SER QB 97 PHE H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1313,1314,
&end
#
# 85 ASP H 96 TYR QD 5.84
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1500,1509,
&end
#
# 85 ASP H 85 ASP HB3 4.5
&rst
ixpk= 0, nxpk= 0, iat=1337,1342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 LYS H 53 ASP HB3 6
&rst
ixpk= 0, nxpk= 0, iat= 801, 828, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 75 VAL QG2 78 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1192,1193,1194,
&end
#
# 85 ASP H 86 PRO QD 5.88
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1350,1351,
&end
#
# 84 HIS HB2 85 ASP H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1324,1337, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 84 HIS HB3 85 ASP H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1325,1337, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 85 ASP H 85 ASP HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1337,1341, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 129 LEU QD1 130 ASP H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=2065,2066,2067,
&end
#
# 129 LEU QD2 130 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2069,2070,2071,
&end
#
# 19 CYS H 20 LYS H 5.1
&rst
ixpk= 0, nxpk= 0, iat= 301, 312, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 31 THR HB 35 LEU H 5.61
&rst
ixpk= 0, nxpk= 0, iat= 492, 534, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 35 LEU H 36 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 563, 564, 565,
&end
#
# 35 LEU H 35 LEU QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 543, 544, 545,
&end
#
# 33 ALA QB 35 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 521, 522, 523,
&end
#
# 180 THR H 180 THR QG2 5.78
&rst
ixpk= 0, nxpk= 0, iat=2810, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=2816,2817,2818,
&end
#
# 136 PHE H 212 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3351,3356,
&end
#
# 136 PHE H 210 ASP H 5.2
&rst
ixpk= 0, nxpk= 0, iat=2166,3315, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 136 PHE H 136 PHE QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2174,2182,
&end
#
# 135 VAL QG1 136 PHE H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2156,2157,2158,
&end
#
# 108 GLU H 109 VAL H 5.55
&rst
ixpk= 0, nxpk= 0, iat=1716,1731, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 109 VAL H 109 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1741,1742,1743,
&end
#
# 99 MET HG2 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1562,1731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 109 VAL H 111 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1774,1775,1776,
&end
#
# 47 VAL QG1 48 GLU H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 731, 732, 733,
&end
#
# 192 SER HB3 193 ALA H 4.6
&rst
ixpk= 0, nxpk= 0, iat=3017,3023, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 193 ALA H 193 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=3027,3028,3029,
&end
#
# 191 VAL QG1 193 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3023, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3002,3003,3004,
&end
#
# 191 VAL HA 193 ALA H 5.75
&rst
ixpk= 0, nxpk= 0, iat=2998,3023, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 190 ALA HA 193 ALA H 5.94
&rst
ixpk= 0, nxpk= 0, iat=2988,3023, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 189 LYS HB3 193 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2969,3023, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 GLY H 45 LEU H 5.82
&rst
ixpk= 0, nxpk= 0, iat= 677, 695, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 45 LEU H 46 SER QB 5.59
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 718, 719,
&end
#
# 44 SER H 45 LEU H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 684, 695, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 44 SER HA 45 LEU H 4
&rst
ixpk= 0, nxpk= 0, iat= 686, 695, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 45 LEU H 45 LEU QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2= 708, 709, 710,
&end
#
# 188 LEU QD1 190 ALA H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2986, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2954,2955,2956,
&end
#
# 190 ALA H 190 ALA QB 4.41
&rst
ixpk= 0, nxpk= 0, iat=2986, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2990,2991,2992,
&end
#
# 44 SER HB2 45 LEU H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 196 VAL H 208 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat=3063,3279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 195 PHE QD 208 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3051,3059,
&end
#
# 140 LEU QD2 208 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3279, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2232,2233,2234,
&end
#
# 207 VAL H 208 GLN H 5.11
&rst
ixpk= 0, nxpk= 0, iat=3263,3279, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 207 VAL HB 208 GLN H 5.31
&rst
ixpk= 0, nxpk= 0, iat=3267,3279, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 207 VAL QG1 208 GLN H 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1,3279, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=3269,3270,3271,
&end
#
# 162 TYR H 163 ALA H 5.42
&rst
ixpk= 0, nxpk= 0, iat=2535,2556, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 122 VAL HA 162 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat=1941,2535, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 TYR H 180 THR HB 5.4
&rst
ixpk= 0, nxpk= 0, iat=2535,2814, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 161 VAL QG2 162 TYR H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2529,2530,2531,
&end
#
# 120 ASN QB 165 ILE H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2573, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1909,1910,
&end
#
# 120 ASN HA 165 ILE H 5.51
&rst
ixpk= 0, nxpk= 0, iat=1907,2573, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 93 SER HB3 94 GLU H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1450,1456, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 93 SER HA 94 GLU H 3.72
&rst
ixpk= 0, nxpk= 0, iat=1447,1456, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 93 SER HB2 94 GLU H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1449,1456, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 29 ASP QB 32 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 461, 462,
&end
#
# 94 GLU HB2 95 TYR H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1460,1471, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 20 LYS H 114 TRP QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1817,1818,
&end
#
# 2 THR QG2 4 SER H 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 27, 28, 29,
&end
#
# 30 ILE H 104 MET QG 5.81
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1649,1650,
&end
#
# 98 LYS QG 99 MET H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1540,1541,
&end
#
# 30 ILE H 30 ILE QG1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 479, 480,
&end
#
# 30 ILE H 30 ILE QD1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 482, 483, 484,
&end
#
# 30 ILE QD1 32 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 482, 483, 484,
&end
#
# 98 LYS HB2 99 MET H 5.3
&rst
ixpk= 0, nxpk= 0, iat=1537,1555, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 98 LYS HB3 99 MET H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1538,1555, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 99 MET H 109 VAL H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1555,1731, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 99 MET H 99 MET QE 4.87
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1566,1567,1568,
&end
#
# 128 ARG H 129 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2065,2066,2067,
&end
#
# 26 VAL HB 28 TRP H 5.81
&rst
ixpk= 0, nxpk= 0, iat= 407, 433, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 67 LEU H 68 VAL H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1045,1064, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 45 LEU QD2 68 VAL H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 708, 709, 710,
&end
#
# 155 ASP H 155 ASP HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat=2438,2443, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 10 ARG H 11 ASN H 4.85
&rst
ixpk= 0, nxpk= 0, iat= 141, 165, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 128 ARG H 128 ARG QB 4.03
&rst
ixpk= 0, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2036,2037,
&end
#
# 128 ARG H 128 ARG QD 5.18
&rst
ixpk= 0, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2042,2043,
&end
#
# 10 ARG HA 11 ASN H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 143, 165, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 10 ARG HB3 11 ASN H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 146, 165, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 171 LYS HB2 172 TYR H 5.38
&rst
ixpk= 0, nxpk= 0, iat=2673,2691, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 47 VAL QG2 68 VAL H 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 735, 736, 737,
&end
#
# 47 VAL QG1 68 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 731, 732, 733,
&end
#
# 67 LEU QD2 68 VAL H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1058,1059,1060,
&end
#
# 68 VAL H 68 VAL QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1074,1075,1076,
&end
#
# 67 LEU QD1 68 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1054,1055,1056,
&end
#
# 155 ASP H 157 PHE H 5.77
&rst
ixpk= 0, nxpk= 0, iat=2438,2469, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 9 PRO HA 10 ARG H 4.06
&rst
ixpk= 0, nxpk= 0, iat= 137, 141, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 9 PRO QB 10 ARG H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 134, 135,
&end
#
# 10 ARG H 10 ARG HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 121 PHE H 122 VAL HA 5.96
&rst
ixpk= 0, nxpk= 0, iat=1919,1941, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 47 VAL HA 68 VAL H 5.1
&rst
ixpk= 0, nxpk= 0, iat= 727,1064, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 152 ILE HA 155 ASP H 5.75
&rst
ixpk= 0, nxpk= 0, iat=2388,2438, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 167 THR QG2 172 TYR H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2691, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2610,2611,2612,
&end
#
# 168 ASP H 172 TYR H 5.47
&rst
ixpk= 0, nxpk= 0, iat=2618,2691, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 46 SER QB 68 VAL H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 718, 719,
&end
#
# 21 VAL H 67 LEU H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 334,1045, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 184 GLN QG 185 ARG H 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2889, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2879,2880,
&end
#
# 16 ILE H 16 ILE HG13 5.26
&rst
ixpk= 0, nxpk= 0, iat= 250, 261, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 16 ILE H 16 ILE HG12 4.61
&rst
ixpk= 0, nxpk= 0, iat= 250, 260, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 16 ILE H 16 ILE QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 256, 257, 258,
&end
#
# 16 ILE H 16 ILE QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 263, 264, 265,
&end
#
# 21 VAL H 113 PRO HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= 334,1809, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 21 VAL H 22 PHE H 5.68
&rst
ixpk= 0, nxpk= 0, iat= 334, 350, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 185 ARG H 185 ARG QB 3.71
&rst
ixpk= 0, nxpk= 0, iat=2889, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2893,2894,
&end
#
# 185 ARG H 185 ARG QG 4.53
&rst
ixpk= 0, nxpk= 0, iat=2889, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2896,2897,
&end
#
# 183 ASN HA 185 ARG H 5.27
&rst
ixpk= 0, nxpk= 0, iat=2860,2889, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 186 SER H 189 LYS H 5.96
&rst
ixpk= 0, nxpk= 0, iat=2913,2964, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 21 VAL H 21 VAL QG1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 340, 341, 342,
&end
#
# 154 ASN H 156 LEU H 5.53
&rst
ixpk= 0, nxpk= 0, iat=2424,2450, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 154 ASN H 160 VAL QG1 5.11
&rst
ixpk= 0, nxpk= 0, iat=2424, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2509,2510,2511,
&end
#
# 183 ASN H 185 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2858,2889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 10 ARG HA 12 TYR H 5.79
&rst
ixpk= 0, nxpk= 0, iat= 143, 179, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 12 TYR H 12 TYR HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat= 179, 184, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 81 ALA H 83 SER H 5.86
&rst
ixpk= 0, nxpk= 0, iat=1288,1309, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 207 VAL H 208 GLN HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=3263,3281, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 206 LYS HB3 207 VAL H 4.87
&rst
ixpk= 0, nxpk= 0, iat=3246,3263, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 206 LYS QG 207 VAL H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,3263, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=3248,3249,
&end
#
# 120 ASN QB 121 PHE H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1909,1910,
&end
#
# 167 THR QG2 168 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2618, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2610,2611,2612,
&end
#
# 188 LEU QD1 189 LYS H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2964, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2954,2955,2956,
&end
#
# 189 LYS H 190 ALA QB 5.45
&rst
ixpk= 0, nxpk= 0, iat=2964, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2990,2991,2992,
&end
#
# 81 ALA H 82 CYS HA 5.77
&rst
ixpk= 0, nxpk= 0, iat=1288,1300, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 79 LEU QD1 81 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1261,1262,1263,
&end
#
# 195 PHE HA 207 VAL H 5.8
&rst
ixpk= 0, nxpk= 0, iat=3045,3263, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 40 ARG H 41 VAL HA 5.76
&rst
ixpk= 0, nxpk= 0, iat= 617, 643, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 40 ARG H 40 ARG HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= 617, 625, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 40 ARG H 45 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 704, 705, 706,
&end
#
# 37 ASN HA 40 ARG H 5.52
&rst
ixpk= 0, nxpk= 0, iat= 571, 617, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 39 PHE QB 40 ARG H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 601, 602,
&end
#
# 168 ASP H 173 PRO QB 6
&rst
ixpk= 0, nxpk= 0, iat=2618, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2719,2720,
&end
#
# 92 LEU H 92 LEU QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1435,1436,1437,
&end
#
# 80 GLN QB 81 ALA H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1275,1276,
&end
#
# 78 LEU QD2 81 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1246,1247,1248,
&end
#
# 36 VAL H 37 ASN HB2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 553, 573, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 35 LEU QD1 36 VAL H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 543, 544, 545,
&end
#
# 1 MET Q 197 GLU H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,3079, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 2, 3, 4,
&end
#
# 1 MET Q 1 MET HG2 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 11, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 2, 3, 4,
&end
#
# 1 MET Q 1 MET QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 2, 3, 4,
igr2= 8, 9,
&end
#
# 1 MET Q 193 ALA QB 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 2, 3, 4,
igr2=3027,3028,3029,
&end
#
# 1 MET Q 196 VAL QG1 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr1= 2, 3, 4,
igr2=3069,3070,3071,
&end
#
# 1 MET Q 196 VAL QG2 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
igr1= 2, 3, 4,
igr2=3073,3074,3075,
&end
#
# 168 ASP H 173 PRO HG2 5.84
&rst
ixpk= 0, nxpk= 0, iat=2618,2716, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 151 ALA H 152 ILE QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat=2376, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2396,2397,
&end
#
# 86 PRO QD 87 LEU H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1350,1351,
&end
#
# 87 LEU H 87 LEU QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1372,1373,1374,
&end
#
# 148 ALA H 149 LEU H 4.91
&rst
ixpk= 0, nxpk= 0, iat=2337,2347, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 148 ALA H 148 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2341,2342,2343,
&end
#
# 148 ALA H 150 ALA QB 5.97
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=2370,2371,2372,
&end
#
# 83 SER H 84 HIS H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1309,1320, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 84 HIS H 84 HIS HB2 4.7
&rst
ixpk= 0, nxpk= 0, iat=1320,1324, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 85 ASP HB2 87 LEU H 5.56
&rst
ixpk= 0, nxpk= 0, iat=1341,1363, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 148 ALA H 152 ILE QD1 5.98
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=2399,2400,2401,
&end
#
# 84 HIS H 85 ASP HA 6
&rst
ixpk= 0, nxpk= 0, iat=1320,1339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 83 SER QB 84 HIS H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1313,1314,
&end
#
# 114 TRP H 115 VAL H 5.72
&rst
ixpk= 0, nxpk= 0, iat=1813,1837, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 160 VAL H 160 VAL QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat=2503, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2509,2510,2511,
&end
#
# 160 VAL H 161 VAL H 5.44
&rst
ixpk= 0, nxpk= 0, iat=2503,2519, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 116 LEU QD1 117 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1862,1863,1864,
&end
#
# 115 VAL QG1 117 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1843,1844,1845,
&end
#
# 46 SER QB 47 VAL H 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 718, 719,
&end
#
# 47 VAL H 47 VAL HB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 115 VAL HA 117 ALA H 5.99
&rst
ixpk= 0, nxpk= 0, iat=1839,1872, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 47 VAL H 47 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 731, 732, 733,
&end
#
# 47 VAL H 48 GLU QG 5.93
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2= 748, 749,
&end
#
# 44 SER HA 70 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= 686,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU QD2 47 VAL H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 708, 709, 710,
&end
#
# 47 VAL H 47 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 735, 736, 737,
&end
#
# 21 VAL HB 67 LEU H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 338,1045, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 47 VAL QG2 67 LEU H 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 735, 736, 737,
&end
#
# 69 PHE H 70 GLU H 5.97
&rst
ixpk= 0, nxpk= 0, iat=1080,1100, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 45 LEU QD2 70 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 708, 709, 710,
&end
#
# 66 TYR QD 67 LEU H 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1032,1041,
&end
#
# 44 SER H 70 GLU H 5.69
&rst
ixpk= 0, nxpk= 0, iat= 684,1100, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 47 VAL HA 67 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= 727,1045, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 6 GLN H 7 LEU H 4.91
&rst
ixpk= 0, nxpk= 0, iat= 77, 94, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 3 TRP HZ3 6 GLN H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 52, 77, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 5 GLY QA 6 GLN H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 72, 73,
&end
#
# 6 GLN H 6 GLN HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= 77, 81, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 6 GLN H 6 GLN HB3 4
&rst
ixpk= 0, nxpk= 0, iat= 77, 82, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 GLN H 198 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3100,3101,3102,
&end
#
# 137 VAL QG1 178 ARG H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2770, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2192,2193,2194,
&end
#
# 33 ALA H 36 VAL HB 4.89
&rst
ixpk= 0, nxpk= 0, iat= 517, 557, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 32 GLU QB 33 ALA H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 506, 507,
&end
#
# 31 THR QG2 33 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 494, 495, 496,
&end
#
# 4 SER HA 6 GLN H 5.64
&rst
ixpk= 0, nxpk= 0, iat= 61, 77, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 3 TRP HE3 6 GLN H 5.84
&rst
ixpk= 0, nxpk= 0, iat= 54, 77, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 133 ARG H 134 THR HB 6
&rst
ixpk= 0, nxpk= 0, iat=2112,2140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 178 ARG H 179 VAL H 5.66
&rst
ixpk= 0, nxpk= 0, iat=2770,2794, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 179 VAL H 179 VAL QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat=2794, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2804,2805,2806,
&end
#
# 179 VAL H 179 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2794, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2800,2801,2802,
&end
#
# 100 SER HB2 106 CYS H 5.84
&rst
ixpk= 0, nxpk= 0, iat=1576,1683, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 134 THR HB 179 VAL H 4.76
&rst
ixpk= 0, nxpk= 0, iat=2140,2794, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 178 ARG QB 179 VAL H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2774,2775,
&end
#
# 179 VAL H 181 PHE QD 5.8
&rst
ixpk= 0, nxpk= 0, iat=2794, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2832,2840,
&end
#
# 167 THR QG2 171 LYS H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2610,2611,2612,
&end
#
# 106 CYS H 106 CYS QB 4.51
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1687,1688,
&end
#
# 106 CYS H 107 LYS HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat=1683,1699, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 104 MET QG 106 CYS H 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1649,1650,
&end
#
# 42 PHE H 42 PHE QE 6
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 667, 671,
&end
#
# 41 VAL QG1 42 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 647, 648, 649,
&end
#
# 41 VAL QG2 42 PHE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 651, 652, 653,
&end
#
# 42 PHE H 45 LEU QD1 5.72
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 704, 705, 706,
&end
#
# 195 PHE H 209 ILE QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat=3043, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=3309,3310,3311,
&end
#
# 101 SER H 104 MET QG 5.83
&rst
ixpk= 0, nxpk= 0, iat=1583, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=1649,1650,
&end
#
# 170 HIS H 170 HIS HD2 5.32
&rst
ixpk= 0, nxpk= 0, iat=2652,2665, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 170 HIS H 171 LYS HB3 5.92
&rst
ixpk= 0, nxpk= 0, iat=2652,2674, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 195 PHE H 196 VAL QG1 5.64
&rst
ixpk= 0, nxpk= 0, iat=3043, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=3069,3070,3071,
&end
#
# 195 PHE H 196 VAL H 5.03
&rst
ixpk= 0, nxpk= 0, iat=3043,3063, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 195 PHE H 195 PHE QD 5.03
&rst
ixpk= 0, nxpk= 0, iat=3043, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=3051,3059,
&end
#
# 100 SER HB2 101 SER H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1576,1583, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 146 ALA QB 147 GLU H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2316,2317,2318,
&end
#
# 104 MET H 104 MET QG 4.52
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1649,1650,
&end
#
# 103 ARG QG 104 MET H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1625,1626,
&end
#
# 58 ARG H 58 ARG HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= 895, 900, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 58 ARG H 58 ARG QG 4.74
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 902, 903,
&end
#
# 56 HIS HA 58 ARG H 5.73
&rst
ixpk= 0, nxpk= 0, iat= 866, 895, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 104 MET H 105 ARG H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1642,1659, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 84 HIS HA 96 TYR H 5.88
&rst
ixpk= 0, nxpk= 0, iat=1322,1492, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 96 TYR H 97 PHE HA 5.9
&rst
ixpk= 0, nxpk= 0, iat=1492,1515, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 187 TYR H 188 LEU QD1 5.81
&rst
ixpk= 0, nxpk= 0, iat=2924, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=2954,2955,2956,
&end
#
# 185 ARG HA 187 TYR H 5.18
&rst
ixpk= 0, nxpk= 0, iat=2891,2924, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 184 GLN HE21 187 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat=2885,2924, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 185 ARG QB 186 SER H 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2893,2894,
&end
#
# 84 HIS HB2 96 TYR H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1324,1492, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 184 GLN HE21 188 LEU H 5.36
&rst
ixpk= 0, nxpk= 0, iat=2885,2945, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 151 ALA QB 152 ILE H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2380,2381,2382,
&end
#
# 149 LEU HA 152 ILE H 5.84
&rst
ixpk= 0, nxpk= 0, iat=2349,2386, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 152 ILE H 152 ILE QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2396,2397,
&end
#
# 186 SER H 188 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2913, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2954,2955,2956,
&end
#
# 2 THR H 196 VAL QG2 5.85
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=3073,3074,3075,
&end
#
# 1 MET HG2 2 THR H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 11, 21, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 1 MET QB 2 THR H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 8, 9,
&end
#
# 2 THR H 2 THR QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 27, 28, 29,
&end
#
# 2 THR H 196 VAL QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=3069,3070,3071,
&end
#
# 188 LEU H 188 LEU QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat=2945, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2954,2955,2956,
&end
#
# 143 MET HG2 144 LEU H 5.72
&rst
ixpk= 0, nxpk= 0, iat=2269,2279, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 188 LEU H 191 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2945, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3002,3003,3004,
&end
#
# 134 THR H 212 TYR QD 5.47
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=3349,3358,
&end
#
# 132 SER HA 134 THR H 5.29
&rst
ixpk= 0, nxpk= 0, iat=2103,2136, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 134 THR H 134 THR HB 4.69
&rst
ixpk= 0, nxpk= 0, iat=2136,2140, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 134 THR H 134 THR QG2 4.97
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2142,2143,2144,
&end
#
# 134 THR H 212 TYR QB 5.58
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=3345,3346,
&end
#
# 79 LEU H 80 GLN QB 5.56
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1275,1276,
&end
#
# 58 ARG HB3 59 CYS H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 900, 919, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 196 VAL H 206 LYS HA 5.9
&rst
ixpk= 0, nxpk= 0, iat=3063,3243, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 195 PHE QE 196 VAL H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,3063, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=3053,3057,
&end
#
# 195 PHE HB2 196 VAL H 5.06
&rst
ixpk= 0, nxpk= 0, iat=3047,3063, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 195 PHE HB3 196 VAL H 5.04
&rst
ixpk= 0, nxpk= 0, iat=3048,3063, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 79 LEU H 81 ALA H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1252,1288, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 75 VAL HA 79 LEU H 5.67
&rst
ixpk= 0, nxpk= 0, iat=1184,1252, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 79 LEU H 79 LEU HG 5.51
&rst
ixpk= 0, nxpk= 0, iat=1252,1259, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 78 LEU QD2 79 LEU H 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1246,1247,1248,
&end
#
# 78 LEU QD1 79 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1242,1243,1244,
&end
#
# 79 LEU H 79 LEU QD2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1265,1266,1267,
&end
#
# 135 VAL H 178 ARG HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=2150,2772, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 196 VAL H 206 LYS QG 5.37
&rst
ixpk= 0, nxpk= 0, iat=3063, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=3248,3249,
&end
#
# 196 VAL H 207 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=3063, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=3273,3274,3275,
&end
#
# 196 VAL H 196 VAL QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat=3063, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=3073,3074,3075,
&end
#
# 120 ASN H 120 ASN HD21 5.47
&rst
ixpk= 0, nxpk= 0, iat=1905,1915, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 120 ASN HA 120 ASN HD21 6
&rst
ixpk= 0, nxpk= 0, iat=1907,1915, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 GLN H 81 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat=1271,1290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 ARG HA 80 GLN H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1200,1271, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 79 LEU QD2 80 GLN H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1265,1266,1267,
&end
#
# 120 ASN QB 120 ASN HD22 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1909,1910,
&end
#
# 64 TYR QB 66 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 991, 992,
&end
#
# 72 GLU HG2 73 LYS H 5.78
&rst
ixpk= 0, nxpk= 0, iat=1141,1149, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 72 GLU HG3 73 LYS H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1142,1149, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 72 GLU HB3 73 LYS H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1139,1149, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 73 LYS H 73 LYS HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1149,1153, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 73 LYS H 73 LYS HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=1149,1154, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 73 LYS H 73 LYS HG3 4.79
&rst
ixpk= 0, nxpk= 0, iat=1149,1157, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 73 LYS H 73 LYS HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat=1149,1156, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 149 LEU QD1 150 ALA H 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=2356,2357,2358,
&end
#
# 149 LEU H 150 ALA H 4.62
&rst
ixpk= 0, nxpk= 0, iat=2347,2366, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 150 ALA H 151 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2380,2381,2382,
&end
#
# 150 ALA H 150 ALA QB 4.34
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2370,2371,2372,
&end
#
# 120 ASN QB 120 ASN HD21 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1915, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1909,1910,
&end
#
# 149 LEU H 150 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2370,2371,2372,
&end
#
# 149 LEU H 149 LEU QD1 5.29
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=2356,2357,2358,
&end
#
# 80 GLN H 80 GLN QB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1275,1276,
&end
#
# 80 GLN H 81 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1292,1293,1294,
&end
#
# 82 CYS H 83 SER H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1298,1309, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 80 GLN HA 82 CYS H 5.45
&rst
ixpk= 0, nxpk= 0, iat=1273,1298, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 78 LEU HA 82 CYS H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1235,1298, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 79 LEU HA 82 CYS H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1254,1298, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 120 ASN HA 120 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat=1907,1914, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 147 GLU HA 150 ALA H 5.5
&rst
ixpk= 0, nxpk= 0, iat=2324,2366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 148 ALA QB 150 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2341,2342,2343,
&end
#
# 149 LEU H 152 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2399,2400,2401,
&end
#
# 81 ALA QB 82 CYS H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1292,1293,1294,
&end
#
# 145 ASN H 148 ALA HA 5.81
&rst
ixpk= 0, nxpk= 0, iat=2298,2339, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 89 PRO HD2 90 ASP H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1394,1407, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 89 PRO HA 90 ASP H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1403,1407, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 90 ASP H 90 ASP QB 3.97
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1411,1412,
&end
#
# 89 PRO QB 90 ASP H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1407, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1400,1401,
&end
#
# 202 LYS H 202 LYS QG 4.62
&rst
ixpk= 0, nxpk= 0, iat=3163, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=3170,3171,
&end
#
# 200 THR QG2 202 LYS H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,3163, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=3141,3142,3143,
&end
#
# 75 VAL QG2 76 ARG H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1192,1193,1194,
&end
#
# 76 ARG H 79 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1265,1266,1267,
&end
#
# 204 THR H 205 LYS HB2 5.84
&rst
ixpk= 0, nxpk= 0, iat=3205,3223, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 55 LYS HG3 56 HIS H 5.8
&rst
ixpk= 0, nxpk= 0, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 85 ASP HB2 88 SER H 5.2
&rst
ixpk= 0, nxpk= 0, iat=1341,1382, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 120 ASN H 120 ASN HD22 5.16
&rst
ixpk= 0, nxpk= 0, iat=1905,1914, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 120 ASN H 120 ASN QB 4.08
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1909,1910,
&end
#
# 120 ASN H 146 ALA QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=2316,2317,2318,
&end
#
# 75 VAL QG1 76 ARG H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1188,1189,1190,
&end
#
# 203 PHE QB 204 THR H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,3205, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=3189,3190,
&end
#
# 204 THR H 204 THR QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=3205, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=3211,3212,3213,
&end
#
# 71 LEU H 71 LEU HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat=1115,1120, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 71 LEU H 71 LEU QQD 4.34
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 92 LEU HA 93 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1428,1445, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 93 SER H 93 SER HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1445,1450, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 92 LEU QD1 93 SER H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1435,1436,1437,
&end
#
# 87 LEU HA 88 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1365,1382, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 88 SER H 88 SER HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1382,1386, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 88 SER H 89 PRO HD2 3.9
&rst
ixpk= 0, nxpk= 0, iat=1382,1394, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 86 PRO QB 88 SER H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1356,1357,
&end
#
# 160 VAL HA 182 ASN H 5.53
&rst
ixpk= 0, nxpk= 0, iat=2505,2844, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 55 LYS HG2 56 HIS H 6
&rst
ixpk= 0, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 181 PHE QE 182 ASN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2844, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2834,2838,
&end
#
# 71 LEU H 72 GLU HA 6
&rst
ixpk= 0, nxpk= 0, iat=1115,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 LEU H 74 SER H 5.68
&rst
ixpk= 0, nxpk= 0, iat=1115,1171, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 73 LYS HB3 74 SER H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1154,1171, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 73 LYS HG3 74 SER H 5.62
&rst
ixpk= 0, nxpk= 0, iat=1157,1171, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 74 SER H 75 VAL QG1 5.94
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=1188,1189,1190,
&end
#
# 182 ASN H 183 ASN HA 5.7
&rst
ixpk= 0, nxpk= 0, iat=2844,2860, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 29 ASP H 30 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 482, 483, 484,
&end
#
# 74 SER H 77 SER H 5.78
&rst
ixpk= 0, nxpk= 0, iat=1171,1222, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 40 ARG QD 41 VAL H 5.9
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 627, 628,
&end
#
# 37 ASN H 40 ARG HG2 6
&rst
ixpk= 0, nxpk= 0, iat= 569, 624, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASP H 53 ASP HB3 4.44
&rst
ixpk= 0, nxpk= 0, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 28 TRP H 29 ASP H 4.96
&rst
ixpk= 0, nxpk= 0, iat= 433, 457, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 28 TRP HB2 29 ASP H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 437, 457, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 29 ASP H 30 ILE QG2 5.79
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2= 475, 476, 477,
&end
#
# 28 TRP HB3 29 ASP H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 438, 457, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 64 TYR H 65 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat= 987,1008, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 62 LYS QB 64 TYR H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 962, 963,
&end
#
# 26 VAL QG2 64 TYR H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 413, 414, 415,
&end
#
# 103 ARG H 104 MET QG 5.8
&rst
ixpk= 0, nxpk= 0, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1649,1650,
&end
#
# 29 ASP H 104 MET QE 6
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1653,1654,1655,
&end
#
# 41 VAL H 45 LEU QD1 5.4
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 704, 705, 706,
&end
#
# 41 VAL H 41 VAL QG1 5.1
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 647, 648, 649,
&end
#
# 103 ARG H 103 ARG QG 4.63
&rst
ixpk= 0, nxpk= 0, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1625,1626,
&end
#
# 103 ARG H 103 ARG QB 4.69
&rst
ixpk= 0, nxpk= 0, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1622,1623,
&end
#
# 33 ALA QB 37 ASN H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 521, 522, 523,
&end
#
# 33 ALA HA 37 ASN H 5.4
&rst
ixpk= 0, nxpk= 0, iat= 519, 569, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 37 ASN H 37 ASN HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 37 ASN H 37 ASN HB3 4.2
&rst
ixpk= 0, nxpk= 0, iat= 569, 574, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 36 VAL HB 37 ASN H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 36 VAL QG1 37 ASN H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 559, 560, 561,
&end
#
# 115 VAL QG1 118 ASP H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1843,1844,1845,
&end
#
# 118 ASP H 145 ASN QB 5.12
&rst
ixpk= 0, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2302,2303,
&end
#
# 26 VAL H 64 TYR H 5.81
&rst
ixpk= 0, nxpk= 0, iat= 403, 987, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 41 VAL H 42 PHE QE 6
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 667, 671,
&end
#
# 101 SER H 103 ARG H 5.94
&rst
ixpk= 0, nxpk= 0, iat=1583,1618, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 100 SER H 100 SER HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1572,1576, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 38 THR QG2 100 SER H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 589, 590, 591,
&end
#
# 98 LYS QG 100 SER H 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1540,1541,
&end
#
# 153 LEU H 154 ASN H 5.11
&rst
ixpk= 0, nxpk= 0, iat=2405,2424, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 149 LEU HA 153 LEU H 5.49
&rst
ixpk= 0, nxpk= 0, iat=2349,2405, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 153 LEU H 153 LEU QD2 4.85
&rst
ixpk= 0, nxpk= 0, iat=2405, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2418,2419,2420,
&end
#
# 151 ALA QB 153 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2380,2381,2382,
&end
#
# 152 ILE H 153 LEU H 5.53
&rst
ixpk= 0, nxpk= 0, iat=2386,2405, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 152 ILE QG1 153 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2396,2397,
&end
#
# 155 ASP HB3 156 LEU H 5.09
&rst
ixpk= 0, nxpk= 0, iat=2443,2450, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 156 LEU H 156 LEU QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2459,2460,2461,
&end
#
# 77 SER H 78 LEU H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1222,1233, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 76 ARG HB2 77 SER H 5.88
&rst
ixpk= 0, nxpk= 0, iat=1202,1222, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 76 ARG HB3 77 SER H 5.66
&rst
ixpk= 0, nxpk= 0, iat=1203,1222, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 73 LYS HA 77 SER H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1151,1222, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 76 ARG HD3 77 SER H 5.86
&rst
ixpk= 0, nxpk= 0, iat=1209,1222, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 156 LEU H 157 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat=2450,2469, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 155 ASP HB2 156 LEU H 5.49
&rst
ixpk= 0, nxpk= 0, iat=2442,2450, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 1 MET QE 156 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2450, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 15, 16, 17,
&end
#
# 75 VAL HA 77 SER H 5.56
&rst
ixpk= 0, nxpk= 0, iat=1184,1222, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 76 ARG QG 77 SER H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1205,1206,
&end
#
# 77 SER H 78 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1246,1247,1248,
&end
#
# 77 SER H 79 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1261,1262,1263,
&end
#
# 77 SER H 80 GLN QB 5.18
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1275,1276,
&end
#
# 75 VAL QG2 77 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1192,1193,1194,
&end
#
# 154 ASN HD22 155 ASP HB3 5.63
&rst
ixpk= 0, nxpk= 0, iat=2433,2443, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 151 ALA HA 154 ASN HD21 3.83
&rst
ixpk= 0, nxpk= 0, iat=2378,2434, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 35 LEU QB 38 THR H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 538, 539,
&end
#
# 157 PHE H 158 GLY QA 5.27
&rst
ixpk= 0, nxpk= 0, iat=2469, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=2491,2492,
&end
#
# 156 LEU QD2 157 PHE H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2469, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2463,2464,2465,
&end
#
# 36 VAL H 38 THR H 5.77
&rst
ixpk= 0, nxpk= 0, iat= 553, 583, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 36 VAL HB 38 THR H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 557, 583, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 36 VAL QG2 38 THR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 563, 564, 565,
&end
#
# 37 ASN HB2 38 THR H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 38 THR H 38 THR QG2 5.2
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 589, 590, 591,
&end
#
# 37 ASN HB3 38 THR H 4.92
&rst
ixpk= 0, nxpk= 0, iat= 574, 583, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 38 THR H 40 ARG H 5.54
&rst
ixpk= 0, nxpk= 0, iat= 583, 617, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 38 THR H 39 PHE H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 583, 597, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 38 THR HB 39 PHE H 5.5
&rst
ixpk= 0, nxpk= 0, iat= 587, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 PHE H 40 ARG HA 5.2
&rst
ixpk= 0, nxpk= 0, iat= 597, 619, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 38 THR QG2 39 PHE H 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 589, 590, 591,
&end
#
# 200 THR H 201 THR H 5.6
&rst
ixpk= 0, nxpk= 0, iat=3135,3149, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 200 THR H 204 THR HA 4.93
&rst
ixpk= 0, nxpk= 0, iat=3135,3207, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 4 SER QB 200 THR H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,3135, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 63, 64,
&end
#
# 199 LYS HB2 200 THR H 5.49
&rst
ixpk= 0, nxpk= 0, iat=3117,3135, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 39 PHE H 40 ARG HB2 5.8
&rst
ixpk= 0, nxpk= 0, iat= 597, 621, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 26 VAL H 109 VAL HA 5.9
&rst
ixpk= 0, nxpk= 0, iat= 403,1733, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 201 THR HA 203 PHE H 5.48
&rst
ixpk= 0, nxpk= 0, iat=3151,3185, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 192 SER H 192 SER HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=3012,3017, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 191 VAL QG1 192 SER H 5
&rst
ixpk= 0, nxpk= 0, iat= -1,3012, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=3002,3003,3004,
&end
#
# 191 VAL QG2 192 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,3012, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=3006,3007,3008,
&end
#
# 191 VAL HA 194 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2998,3033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 203 PHE H 204 THR H 4.78
&rst
ixpk= 0, nxpk= 0, iat=3185,3205, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 201 THR QG2 203 PHE H 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=3155,3156,3157,
&end
#
# 194 ALA H 196 VAL QG1 5.98
&rst
ixpk= 0, nxpk= 0, iat=3033, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=3069,3070,3071,
&end
#
# 198 ILE QG2 203 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3100,3101,3102,
&end
#
# 202 LYS QB 203 PHE H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=3167,3168,
&end
#
# 202 LYS QG 203 PHE H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=3170,3171,
&end
#
# 200 THR QG2 203 PHE H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=3141,3142,3143,
&end
#
# 194 ALA H 209 ILE HB 5.34
&rst
ixpk= 0, nxpk= 0, iat=3033,3300, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 140 LEU H 140 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2232,2233,2234,
&end
#
# 46 SER H 68 VAL H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 714,1064, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 45 LEU QD1 46 SER H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 704, 705, 706,
&end
#
# 45 LEU QD2 46 SER H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 708, 709, 710,
&end
#
# 126 SER H 127 GLN H 5.95
&rst
ixpk= 0, nxpk= 0, iat=2004,2015, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 45 LEU H 46 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= 695, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 191 VAL H 191 VAL HB 4.44
&rst
ixpk= 0, nxpk= 0, iat=2996,3000, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 188 LEU QD1 191 VAL H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2996, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2954,2955,2956,
&end
#
# 191 VAL H 191 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=3002,3003,3004,
&end
#
# 191 VAL H 191 VAL QG2 4.5
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=3006,3007,3008,
&end
#
# 195 PHE QE 208 GLN HE22 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,3291, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=3053,3057,
&end
#
# 208 GLN QB 208 GLN HE22 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3291, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3283,3284,
&end
#
# 208 GLN QB 208 GLN HE21 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3283,3284,
&end
#
# 195 PHE QE 208 GLN HE21 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1,3292, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=3053,3057,
&end
#
# 119 SER H 120 ASN HA 5.76
&rst
ixpk= 0, nxpk= 0, iat=1894,1907, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 119 SER H 119 SER QB 4.35
&rst
ixpk= 0, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1898,1899,
&end
#
# 114 TRP HE1 119 SER H 5.54
&rst
ixpk= 0, nxpk= 0, iat=1823,1894, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 119 SER H 146 ALA QB 5.65
&rst
ixpk= 0, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=2316,2317,2318,
&end
#
# 12 TYR QD 14 ASN HD21 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 187, 196,
&end
#
# 14 ASN HB2 14 ASN HD21 4.28
&rst
ixpk= 0, nxpk= 0, iat= 226, 232, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 14 ASN HB3 14 ASN HD21 4.09
&rst
ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 14 ASN HB2 14 ASN HD22 4.43
&rst
ixpk= 0, nxpk= 0, iat= 226, 231, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 14 ASN HB3 14 ASN HD22 4.3
&rst
ixpk= 0, nxpk= 0, iat= 227, 231, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 130 ASP HA 132 SER H 5.02
&rst
ixpk= 0, nxpk= 0, iat=2077,2101, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 131 PRO QG 132 SER H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2091,2092,
&end
#
# 173 PRO QB 174 ILE H 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2726, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2719,2720,
&end
#
# 12 TYR QD 14 ASN HD22 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 231, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 187, 196,
&end
#
# 65 VAL H 66 TYR H 5.72
&rst
ixpk= 0, nxpk= 0, iat=1008,1024, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 11 ASN H 11 ASN HD21 5.78
&rst
ixpk= 0, nxpk= 0, iat= 165, 175, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 36 VAL QG1 37 ASN HD22 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 559, 560, 561,
&end
#
# 137 VAL QG1 138 GLY H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2192,2193,2194,
&end
#
# 138 GLY H 209 ILE QG2 5.74
&rst
ixpk= 0, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=3302,3303,3304,
&end
#
# 65 VAL H 65 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1014,1015,1016,
&end
#
# 6 GLN HA 6 GLN HE21 5.6
&rst
ixpk= 0, nxpk= 0, iat= 79, 90, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 6 GLN QG 6 GLN HE21 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 84, 85,
&end
#
# 33 ALA QB 37 ASN HD22 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 521, 522, 523,
&end
#
# 6 GLN QG 6 GLN HE22 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 84, 85,
&end
#
# 138 GLY H 209 ILE H 5.99
&rst
ixpk= 0, nxpk= 0, iat=2202,3296, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 43 GLY H 44 SER H 4.63
&rst
ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 GLY QA 44 SER H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 679, 680,
&end
#
# 44 SER H 70 GLU HB3 5.2
&rst
ixpk= 0, nxpk= 0, iat= 684,1105, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 44 SER H 45 LEU QD1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 704, 705, 706,
&end
#
# 44 SER H 70 GLU QG 6
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1107,1108,
&end
#
# 5 GLY QA 6 GLN HE21 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 72, 73,
&end
#
# 37 ASN H 37 ASN HD21 5.16
&rst
ixpk= 0, nxpk= 0, iat= 569, 579, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 33 ALA QB 37 ASN HD21 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 521, 522, 523,
&end
#
# 37 ASN H 37 ASN HD22 4.97
&rst
ixpk= 0, nxpk= 0, iat= 569, 578, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 25 GLY H 64 TYR QD 5.03
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 995,1004,
&end
#
# 25 GLY H 109 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1737,1738,1739,
&end
#
# 30 ILE QD1 31 THR H 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 482, 483, 484,
&end
#
# 200 THR QG2 201 THR H 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,3149, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=3141,3142,3143,
&end
#
# 181 PHE HA 183 ASN H 5.48
&rst
ixpk= 0, nxpk= 0, iat=2826,2858, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 166 ASP H 167 THR H 5.43
&rst
ixpk= 0, nxpk= 0, iat=2592,2604, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 123 ARG H 124 SER H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1955,1979, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 122 VAL QG2 124 SER H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1949,1950,1951,
&end
#
# 181 PHE QD 183 ASN H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2858, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=2832,2840,
&end
#
# 166 ASP QB 167 THR H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2604, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2596,2597,
&end
#
# 167 THR H 167 THR QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat=2604, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2610,2611,2612,
&end
#
# 122 VAL HA 124 SER H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1941,1979, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 123 ARG HB3 124 SER H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1960,1979, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 183 ASN H 183 ASN HD21 4.41
&rst
ixpk= 0, nxpk= 0, iat=2858,2868, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 183 ASN H 183 ASN HD22 4.49
&rst
ixpk= 0, nxpk= 0, iat=2858,2867, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 167 THR H 173 PRO HG2 5.82
&rst
ixpk= 0, nxpk= 0, iat=2604,2716, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 145 ASN H 145 ASN HD21 5.08
&rst
ixpk= 0, nxpk= 0, iat=2298,2308, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 18 SER H 116 LEU QB 5.95
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1857,1858,
&end
#
# 176 SER H 177 GLY H 5.21
&rst
ixpk= 0, nxpk= 0, iat=2752,2763, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 174 ILE H 176 SER H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2726,2752, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 173 PRO QB 176 SER H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2752, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2719,2720,
&end
#
# 17 TYR QD 18 SER H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 277, 286,
&end
#
# 18 SER H 114 TRP HD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 290,1821, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 18 SER H 114 TRP QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1817,1818,
&end
#
# 184 GLN HE21 188 LEU HB3 6
&rst
ixpk= 0, nxpk= 0, iat=2885,2950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 184 GLN HE21 185 ARG HA 5.66
&rst
ixpk= 0, nxpk= 0, iat=2885,2891, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 158 GLY H 159 GLY H 5.3
&rst
ixpk= 0, nxpk= 0, iat=2489,2496, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 158 GLY H 160 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2489, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2509,2510,2511,
&end
#
# 184 GLN HE21 188 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=2885, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2954,2955,2956,
&end
#
# 184 GLN QG 184 GLN HE21 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,2885, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2879,2880,
&end
#
# 184 GLN QG 184 GLN HE22 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2884, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2879,2880,
&end
#
# 184 GLN HE22 188 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat=2884, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2954,2955,2956,
&end
#
# 184 GLN HE22 188 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=2884,2945, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 157 PHE QD 158 GLY H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2477,2485,
&end
#
# 22 PHE QD 110 GLN HE22 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1759, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 358, 366,
&end
#
# 110 GLN HE22 111 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1759,1764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 110 GLN QB 110 GLN HE21 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1751,1752,
&end
#
# 109 VAL QG2 110 GLN HE21 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1741,1742,1743,
&end
#
# 110 GLN HE21 112 ILE QD1 5.7
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1793,1794,1795,
&end
#
# 110 GLN HE22 112 ILE QD1 5.67
&rst
ixpk= 0, nxpk= 0, iat=1759, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1793,1794,1795,
&end
#
# 165 ILE QD1 175 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2586,2587,2588,
&end
#
# 174 ILE QG1 175 GLY H 4.9
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2736,2737,
&end
#
# 174 ILE QD1 175 GLY H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2739,2740,2741,
&end
#
# 110 GLN HE21 111 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1774,1775,1776,
&end
#
# 5 GLY H 6 GLN HA 5.78
&rst
ixpk= 0, nxpk= 0, iat= 70, 79, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 159 GLY H 183 ASN HD21 6
&rst
ixpk= 0, nxpk= 0, iat=2496,2868, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 182 ASN H 183 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat=2844,2867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 182 ASN HB3 183 ASN HD22 5.94
&rst
ixpk= 0, nxpk= 0, iat=2849,2867, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 160 VAL QG1 183 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2867, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2509,2510,2511,
&end
#
# 5 GLY H 6 GLN H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 70, 77, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 5 GLY H 200 THR QG2 5.71
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=3141,3142,3143,
&end
#
# 3 TRP HZ3 5 GLY H 5.77
&rst
ixpk= 0, nxpk= 0, iat= 52, 70, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 43 GLY H 44 SER HA 6
&rst
ixpk= 0, nxpk= 0, iat= 677, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 43 GLY H 45 LEU QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 704, 705, 706,
&end
#
# 42 PHE QB 43 GLY H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 661, 662,
&end
#
# 160 VAL QG1 183 ASN HD21 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2868, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=2509,2510,2511,
&end
#
# 182 ASN HB3 183 ASN HD21 5.73
&rst
ixpk= 0, nxpk= 0, iat=2849,2868, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 41 VAL QG1 43 GLY H 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1= 647, 648, 649,
&end
#
# 166 ASP H 177 GLY H 5.92
&rst
ixpk= 0, nxpk= 0, iat=2592,2763, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 136 PHE HA 177 GLY H 5.83
&rst
ixpk= 0, nxpk= 0, iat=2168,2763, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 137 VAL QG1 177 GLY H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2192,2193,2194,
&end
#
# 165 ILE QD1 177 GLY H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2586,2587,2588,
&end
#
# 53 ASP HB3 54 GLY H 5.96
&rst
ixpk= 0, nxpk= 0, iat= 828, 835, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 24 GLY H 110 GLN HE22 6
&rst
ixpk= 0, nxpk= 0, iat= 389,1759, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 91 GLY H 92 LEU QD1 5.59
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1435,1436,1437,
&end
#
# 90 ASP QB 91 GLY H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1411,1412,
&end
#
# 149 LEU QD1 164 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2356,2357,2358,
&end
#
# 164 GLY H 179 VAL HB 5.67
&rst
ixpk= 0, nxpk= 0, iat=2566,2798, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, &end
#
# 164 GLY H 179 VAL QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2804,2805,2806,
&end
#
# 162 TYR QE 164 GLY H 5.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2545,2550,
&end
#
# 34 GLY H 36 VAL HB 5.88
&rst
ixpk= 0, nxpk= 0, iat= 527, 557, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 62 LYS QB 63 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 962, 963,
&end
#
# 31 THR QG2 34 GLY H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 494, 495, 496,
&end
#
# 34 GLY H 37 ASN HB2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 527, 573, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 31 THR HB 34 GLY HA2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 492, 529, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 54 GLY QA 55 LYS QB 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 837, 838,
igr2= 846, 847,
&end
#
# 90 ASP HA 91 GLY QA 5.88
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=1421,1422,
&end
#
# 90 ASP H 91 GLY QA 4.84
&rst
ixpk= 0, nxpk= 0, iat=1407, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1421,1422,
&end
#
# 177 GLY QA 178 ARG HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2772, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2765,2766,
&end
#
# 24 GLY QA 64 TYR H 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 391, 392,
&end
#
# 23 LEU QD1 24 GLY QA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 379, 380, 381,
igr2= 391, 392,
&end
#
# 40 ARG QD 45 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 627, 628,
igr2= 708, 709, 710,
&end
#
# 40 ARG H 40 ARG QD 5.26
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 627, 628,
&end
#
# 36 VAL QG1 40 ARG QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 559, 560, 561,
igr2= 627, 628,
&end
#
# 160 VAL HA 181 PHE HB2 5.39
&rst
ixpk= 0, nxpk= 0, iat=2505,2828, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 133 ARG H 133 ARG QD 4.86
&rst
ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2122,2123,
&end
#
# 133 ARG HA 133 ARG QD 5.09
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=2122,2123,
&end
#
# 76 ARG H 76 ARG HD3 5.08
&rst
ixpk= 0, nxpk= 0, iat=1198,1209, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 58 ARG H 58 ARG QD 5.24
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 905, 906,
&end
#
# 58 ARG QD 59 CYS H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 905, 906,
&end
#
# 185 ARG QB 185 ARG QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2893,2894,
igr2=2899,2900,
&end
#
# 58 ARG QG 58 ARG QD 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 902, 903,
igr2= 905, 906,
&end
#
# 185 ARG H 185 ARG QD 4.57
&rst
ixpk= 0, nxpk= 0, iat=2889, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2899,2900,
&end
#
# 185 ARG HA 185 ARG QD 4.47
&rst
ixpk= 0, nxpk= 0, iat=2891, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2899,2900,
&end
#
# 40 ARG HG3 40 ARG QD 3.35
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 627, 628,
&end
#
# 92 LEU HB3 92 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1435,1436,1437,
&end
#
# 92 LEU HB2 92 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1430, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1435,1436,1437,
&end
#
# 135 VAL QG1 136 PHE QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=2156,2157,2158,
igr2=2170,2171,
&end
#
# 73 LYS QE 74 SER H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1162,1163,
&end
#
# 70 GLU QG 73 LYS QE 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1107,1108,
igr2=1162,1163,
&end
#
# 73 LYS HG3 73 LYS QE 4.06
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1162,1163,
&end
#
# 136 PHE QB 212 TYR QE 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2170,2171,
igr2=3351,3356,
&end
#
# 73 LYS QD 73 LYS QE 2.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1159,1160,
igr2=1162,1163,
&end
#
# 140 LEU QB 207 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2223,2224,
igr2=3269,3270,3271,
&end
#
# 73 LYS H 73 LYS QE 5.02
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1162,1163,
&end
#
# 98 LYS QE 108 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1546,1547,
&end
#
# 98 LYS H 98 LYS QE 4.98
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1546,1547,
&end
#
# 98 LYS HB2 98 LYS QE 3.28
&rst
ixpk= 0, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1546,1547,
&end
#
# 98 LYS QG 98 LYS QE 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1540,1541,
igr2=1546,1547,
&end
#
# 47 VAL QG2 67 LEU HB3 5.8
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 735, 736, 737,
&end
#
# 199 LYS H 199 LYS QE 5.88
&rst
ixpk= 0, nxpk= 0, iat=3113, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr2=3126,3127,
&end
#
# 21 VAL QG1 67 LEU HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 340, 341, 342,
&end
#
# 185 ARG HA 188 LEU HB3 5.55
&rst
ixpk= 0, nxpk= 0, iat=2891,2950, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 79 LEU HB3 95 TYR QB 5.18
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1475,1476,
&end
#
# 89 PRO HD2 90 ASP QB 5.76
&rst
ixpk= 0, nxpk= 0, iat=1394, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1411,1412,
&end
#
# 115 VAL QG1 116 LEU QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1843,1844,1845,
igr2=1857,1858,
&end
#
# 129 LEU HB3 130 ASP H 5.79
&rst
ixpk= 0, nxpk= 0, iat=2061,2075, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 202 LYS H 203 PHE QB 5.83
&rst
ixpk= 0, nxpk= 0, iat=3163, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2=3189,3190,
&end
#
# 155 ASP HB2 156 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2442, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2459,2460,2461,
&end
#
# 198 ILE HB 205 LYS QG 5.74
&rst
ixpk= 0, nxpk= 0, iat=3098, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=3226,3227,
&end
#
# 198 ILE HB 206 LYS H 5.73
&rst
ixpk= 0, nxpk= 0, iat=3098,3241, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 33 ALA QB 37 ASN HB3 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 574, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 521, 522, 523,
&end
#
# 33 ALA QB 37 ASN HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 521, 522, 523,
&end
#
# 36 VAL QG1 37 ASN HB2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 559, 560, 561,
&end
#
# 3 TRP HH2 152 ILE HB 6
&rst
ixpk= 0, nxpk= 0, iat= 50,2390, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 THR H 32 GLU QG 6
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 509, 510,
&end
#
# 205 LYS HB3 206 LYS HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=3224,3243, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 97 PHE H 108 GLU HG3 5.82
&rst
ixpk= 0, nxpk= 0, iat=1513,1724, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 38 THR QG2 99 MET HB2 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1559, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 589, 590, 591,
&end
#
# 71 LEU QD1 72 GLU HG2 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1124,1125,1126,
&end
#
# 35 LEU HA 99 MET HB2 4.26
&rst
ixpk= 0, nxpk= 0, iat= 536,1559, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 21 VAL HB 75 VAL QG1 5.56
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1188,1189,1190,
&end
#
# 21 VAL HB 22 PHE H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 338, 350, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 72 GLU H 72 GLU HG3 5.65
&rst
ixpk= 0, nxpk= 0, iat=1134,1142, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 70 GLU HA 72 GLU HG3 6
&rst
ixpk= 0, nxpk= 0, iat=1102,1142, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 MET QB 156 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 8, 9,
igr2=2463,2464,2465,
&end
#
# 47 VAL HB 67 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1058,1059,1060,
&end
#
# 46 SER HA 47 VAL HB 5.79
&rst
ixpk= 0, nxpk= 0, iat= 716, 729, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 47 VAL HB 48 GLU H 5.78
&rst
ixpk= 0, nxpk= 0, iat= 729, 741, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 199 LYS HB2 199 LYS QE 5.44
&rst
ixpk= 0, nxpk= 0, iat=3117, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=3126,3127,
&end
#
# 48 GLU HB3 49 TRP H 5.76
&rst
ixpk= 0, nxpk= 0, iat= 746, 756, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 4 SER QB 199 LYS HB3 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,3118, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 63, 64,
&end
#
# 161 VAL HB 181 PHE HA 5.6
&rst
ixpk= 0, nxpk= 0, iat=2523,2826, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 195 PHE H 208 GLN HG3 5.93
&rst
ixpk= 0, nxpk= 0, iat=3043,3287, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 48 GLU HB3 68 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1070,1071,1072,
&end
#
# 6 GLN QG 7 LEU H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 84, 85,
&end
#
# 6 GLN H 6 GLN QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 84, 85,
&end
#
# 6 GLN HA 6 GLN QG 3.94
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 84, 85,
&end
#
# 99 MET HG2 109 VAL HB 5.27
&rst
ixpk= 0, nxpk= 0, iat=1562,1735, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 6 GLN HB2 6 GLN QG 3.48
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 84, 85,
&end
#
# 6 GLN HB3 6 GLN QG 3.51
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 84, 85,
&end
#
# 48 GLU HB3 68 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1074,1075,1076,
&end
#
# 143 MET H 143 MET HG2 5.53
&rst
ixpk= 0, nxpk= 0, iat=2262,2269, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 141 HIS HE1 143 MET HG3 4.7
&rst
ixpk= 0, nxpk= 0, iat=2247,2270, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 161 VAL HB 180 THR HB 5.99
&rst
ixpk= 0, nxpk= 0, iat=2523,2814, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 160 VAL HA 161 VAL HB 5.32
&rst
ixpk= 0, nxpk= 0, iat=2505,2523, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 200 THR HB 202 LYS H 5.86
&rst
ixpk= 0, nxpk= 0, iat=3139,3163, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 184 GLN HG2 187 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat=2879, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2932,2941,
&end
#
# 184 GLN HG3 188 LEU H 5.5
&rst
ixpk= 0, nxpk= 0, iat=2880,2945, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 LYS QB 56 HIS QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1= 846, 847,
igr2= 868, 869,
&end
#
# 98 LYS HB3 98 LYS QE 6
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1546,1547,
&end
#
# 200 THR HB 203 PHE H 5.91
&rst
ixpk= 0, nxpk= 0, iat=3139,3185, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 184 GLN HG2 188 LEU H 5.59
&rst
ixpk= 0, nxpk= 0, iat=2879,2945, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 184 GLN HG2 187 TYR H 5.64
&rst
ixpk= 0, nxpk= 0, iat=2879,2924, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 137 VAL HB 138 GLY H 5.69
&rst
ixpk= 0, nxpk= 0, iat=2190,2202, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 167 THR QG2 173 PRO QB 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
igr1=2610,2611,2612,
igr2=2719,2720,
&end
#
# 173 PRO QB 175 GLY H 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2719,2720,
&end
#
# 140 LEU H 207 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat=2219,3267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 TRP QB 115 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1817,1818,
igr2=1847,1848,1849,
&end
#
# 1 MET HG2 193 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 11, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=3027,3028,3029,
&end
#
# 1 MET HG3 2 THR H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 12, 21, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 1 MET HG3 196 VAL QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 12, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=3069,3070,3071,
&end
#
# 2 THR HB 199 LYS QE 6
&rst
ixpk= 0, nxpk= 0, iat= 25, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3126,3127,
&end
#
# 104 MET QG 105 ARG H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1649,1650,
&end
#
# 203 PHE HA 204 THR HB 5.93
&rst
ixpk= 0, nxpk= 0, iat=3187,3209, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 162 TYR QE 180 THR HB 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2545,2550,
&end
#
# 99 MET HG2 109 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=1562, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1737,1738,1739,
&end
#
# 97 PHE QE 99 MET HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1523,1527,
&end
#
# 99 MET HG3 109 VAL QG2 5.85
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1741,1742,1743,
&end
#
# 99 MET H 99 MET HG3 5.6
&rst
ixpk= 0, nxpk= 0, iat=1555,1563, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 33 ALA QB 36 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 521, 522, 523,
&end
#
# 208 GLN QB 210 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3315, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3283,3284,
&end
#
# 188 LEU HA 191 VAL HB 5.89
&rst
ixpk= 0, nxpk= 0, iat=2947,3000, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 153 LEU H 153 LEU HG 5.63
&rst
ixpk= 0, nxpk= 0, iat=2405,2412, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 5 GLY QA 6 GLN HB2 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1= 72, 73,
&end
#
# 6 GLN HB2 7 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 81, 94, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 45 LEU QD1 70 GLU HB3 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 704, 705, 706,
&end
#
# 40 ARG H 41 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat= 617, 645, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 41 VAL HB 42 PHE H 5.13
&rst
ixpk= 0, nxpk= 0, iat= 645, 657, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 56 HIS QB 56 HIS HE1 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 868, 869,
&end
#
# 56 HIS QB 58 ARG QD 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 868, 869,
igr2= 905, 906,
&end
#
# 201 THR HB 202 LYS QG 6
&rst
ixpk= 0, nxpk= 0, iat=3153, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3170,3171,
&end
#
# 109 VAL QG1 110 GLN QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1737,1738,1739,
igr2=1751,1752,
&end
#
# 76 ARG QG 77 SER HB3 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1205,1206,
&end
#
# 75 VAL H 76 ARG QG 6
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1205,1206,
&end
#
# 30 ILE QG1 31 THR HB 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 479, 480,
&end
#
# 201 THR HB 202 LYS H 5.07
&rst
ixpk= 0, nxpk= 0, iat=3153,3163, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 200 THR HA 201 THR HB 5.31
&rst
ixpk= 0, nxpk= 0, iat=3137,3153, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 110 GLN QB 111 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1751,1752,
igr2=1774,1775,1776,
&end
#
# 40 ARG H 45 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 708, 709, 710,
&end
#
# 45 LEU QD2 47 VAL QG1 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 708, 709, 710,
igr2= 731, 732, 733,
&end
#
# 45 LEU QD2 46 SER HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 708, 709, 710,
&end
#
# 185 ARG QB 188 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2893,2894,
igr2=2954,2955,2956,
&end
#
# 73 LYS HB2 73 LYS QD 3.84
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1159,1160,
&end
#
# 107 LYS QG 107 LYS HD3 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1705, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1=1701,1702,
&end
#
# 107 LYS HD3 107 LYS QE 3.31
&rst
ixpk= 0, nxpk= 0, iat=1705, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1707,1708,
&end
#
# 202 LYS QG 203 PHE QD 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1=3170,3171,
igr2=3193,3201,
&end
#
# 58 ARG QG 59 CYS H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 902, 903,
&end
#
# 156 LEU H 156 LEU QD2 4.79
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2463,2464,2465,
&end
#
# 106 CYS QB 107 LYS HB2 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1687,1688,
&end
#
# 32 GLU QB 35 LEU QD1 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 506, 507,
igr2= 543, 544, 545,
&end
#
# 26 VAL HB 35 LEU QD1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 543, 544, 545,
&end
#
# 130 ASP HA 131 PRO QG 5.13
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=2091,2092,
&end
#
# 86 PRO HG2 87 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1372,1373,1374,
&end
#
# 86 PRO HG2 87 LEU H 5.63
&rst
ixpk= 0, nxpk= 0, iat=1353,1363, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 46 SER QB 47 VAL QG1 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr1= 718, 719,
igr2= 731, 732, 733,
&end
#
# 45 LEU QD2 46 SER QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 708, 709, 710,
igr2= 718, 719,
&end
#
# 128 ARG H 128 ARG QG 5.06
&rst
ixpk= 0, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2039,2040,
&end
#
# 40 ARG HG3 42 PHE H 5.64
&rst
ixpk= 0, nxpk= 0, iat= 625, 657, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 144 LEU H 144 LEU QD2 5.17
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2292,2293,2294,
&end
#
# 74 SER H 78 LEU QD2 5.95
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr2=1246,1247,1248,
&end
#
# 40 ARG HG3 41 VAL HA 5.58
&rst
ixpk= 0, nxpk= 0, iat= 625, 643, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 40 ARG HG2 41 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 647, 648, 649,
&end
#
# 23 LEU QD2 109 VAL HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1733, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 383, 384, 385,
&end
#
# 23 LEU QD2 99 MET QE 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
igr1= 383, 384, 385,
igr2=1566,1567,1568,
&end
#
# 71 LEU HB3 71 LEU QD2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1128,1129,1130,
&end
#
# 45 LEU QD1 67 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 704, 705, 706,
igr2=1058,1059,1060,
&end
#
# 23 LEU QD2 24 GLY H 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 383, 384, 385,
&end
#
# 167 THR HB 173 PRO HG2 6
&rst
ixpk= 0, nxpk= 0, iat=2608,2716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 PHE QB 45 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 601, 602,
igr2= 704, 705, 706,
&end
#
# 3 TRP HE3 4 SER QB 5.78
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 63, 64,
&end
#
# 2 THR QG2 4 SER QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 27, 28, 29,
igr2= 63, 64,
&end
#
# 4 SER QB 6 GLN H 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 63, 64,
&end
#
# 82 CYS HA 83 SER QB 5.51
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1313,1314,
&end
#
# 188 LEU H 188 LEU QD2 5.94
&rst
ixpk= 0, nxpk= 0, iat=2945, -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr2=2958,2959,2960,
&end
#
# 188 LEU QD2 192 SER H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,3012, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2958,2959,2960,
&end
#
# 149 LEU QD1 150 ALA QB 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1=2356,2357,2358,
igr2=2370,2371,2372,
&end
#
# 23 LEU QD1 99 MET QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 379, 380, 381,
igr2=1566,1567,1568,
&end
#
# 188 LEU QD2 189 LYS HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2958,2959,2960,
&end
#
# 87 LEU HA 87 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1372,1373,1374,
&end
#
# 152 ILE HB 153 LEU QD2 3.63
&rst
ixpk= 0, nxpk= 0, iat=2390, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=2418,2419,2420,
&end
#
# 21 VAL QG1 79 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 340, 341, 342,
igr2=1265,1266,1267,
&end
#
# 174 ILE HA 174 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=2728, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2739,2740,2741,
&end
#
# 88 SER H 88 SER HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat=1382,1387, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 162 TYR QD 180 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2543,2552,
igr2=2816,2817,2818,
&end
#
# 152 ILE QD1 153 LEU QD2 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr1=2399,2400,2401,
igr2=2418,2419,2420,
&end
#
# 153 LEU QD2 154 ASN H 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2424, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=2418,2419,2420,
&end
#
# 44 SER HB2 45 LEU QD1 5.71
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2= 704, 705, 706,
&end
#
# 190 ALA H 192 SER HB3 5.7
&rst
ixpk= 0, nxpk= 0, iat=2986,3017, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 44 SER HB3 70 GLU QG 4.93
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1107,1108,
&end
#
# 44 SER HB3 45 LEU QD1 5.33
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 704, 705, 706,
&end
#
# 163 ALA QB 164 GLY QA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2560,2561,2562,
igr2=2568,2569,
&end
#
# 15 PRO HA 115 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1843,1844,1845,
&end
#
# 192 SER HB3 194 ALA H 5.91
&rst
ixpk= 0, nxpk= 0, iat=3017,3033, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 163 ALA QB 179 VAL HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2560,2561,2562,
&end
#
# 19 CYS HA 20 LYS HD3 5.92
&rst
ixpk= 0, nxpk= 0, iat= 303, 323, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 129 LEU QD1 162 TYR QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2065,2066,2067,
igr2=2539,2540,
&end
#
# 39 PHE QD 78 LEU QD1 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 605, 613,
igr2=1242,1243,1244,
&end
#
# 78 LEU QD1 81 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1242,1243,1244,
igr2=1292,1293,1294,
&end
#
# 26 VAL QG1 109 VAL QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 409, 410, 411,
igr2=1741,1742,1743,
&end
#
# 160 VAL HA 161 VAL QG2 5.08
&rst
ixpk= 0, nxpk= 0, iat=2505, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=2529,2530,2531,
&end
#
# 26 VAL H 26 VAL QG1 5.75
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 409, 410, 411,
&end
#
# 149 LEU QD2 150 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2360,2361,2362,
igr2=2370,2371,2372,
&end
#
# 49 TRP H 65 VAL QG2 5.97
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1018,1019,1020,
&end
#
# 48 GLU HA 65 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1018,1019,1020,
&end
#
# 65 VAL QG2 66 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1018,1019,1020,
&end
#
# 77 SER HA 78 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1246,1247,1248,
&end
#
# 24 GLY H 109 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1737,1738,1739,
&end
#
# 185 ARG HA 188 LEU QD1 4.6
&rst
ixpk= 0, nxpk= 0, iat=2891, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2954,2955,2956,
&end
#
# 201 THR H 201 THR QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat=3149, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=3155,3156,3157,
&end
#
# 32 GLU HA 35 LEU QB 5.91
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 538, 539,
&end
#
# 190 ALA HA 191 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2988, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3006,3007,3008,
&end
#
# 203 PHE HA 204 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat=3187,3207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 TRP HD1 115 VAL HA 6
&rst
ixpk= 0, nxpk= 0, iat=1821,1839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 GLU HA 36 VAL H 5.19
&rst
ixpk= 0, nxpk= 0, iat= 504, 553, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 31 THR QG2 32 GLU QB 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1= 494, 495, 496,
igr2= 506, 507,
&end
#
# 196 VAL QG2 206 LYS HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3243, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3073,3074,3075,
&end
#
# 191 VAL HB 192 SER HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=3000,3014, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 46 SER HA 47 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 731, 732, 733,
&end
#
# 32 GLU QB 47 VAL QG1 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 506, 507,
igr2= 731, 732, 733,
&end
#
# 115 VAL QG1 119 SER H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1894, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1843,1844,1845,
&end
#
# 16 ILE H 115 VAL QG1 5.79
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2=1843,1844,1845,
&end
#
# 95 TYR QB 111 VAL QG2 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr1=1475,1476,
igr2=1774,1775,1776,
&end
#
# 96 TYR QD 111 VAL QG2 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1500,1509,
igr2=1774,1775,1776,
&end
#
# 122 VAL QG2 124 SER HA 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=1949,1950,1951,
&end
#
# 2 THR QG2 199 LYS HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,3117, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 27, 28, 29,
&end
#
# 36 VAL H 36 VAL QG1 5.18
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 559, 560, 561,
&end
#
# 191 VAL QG1 192 SER HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,3017, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=3002,3003,3004,
&end
#
# 48 GLU H 67 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1058,1059,1060,
&end
#
# 2 THR QG2 197 GLU HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,3083, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 27, 28, 29,
&end
#
# 36 VAL QG1 47 VAL HA 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 559, 560, 561,
&end
#
# 33 ALA HA 36 VAL QG1 5.72
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr2= 559, 560, 561,
&end
#
# 132 SER HA 133 ARG QD 6
&rst
ixpk= 0, nxpk= 0, iat=2103, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2122,2123,
&end
#
# 132 SER HA 134 THR QG2 5.77
&rst
ixpk= 0, nxpk= 0, iat=2103, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2142,2143,2144,
&end
#
# 99 MET QE 109 VAL QG2 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1=1566,1567,1568,
igr2=1741,1742,1743,
&end
#
# 97 PHE H 109 VAL QG2 5.65
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1741,1742,1743,
&end
#
# 95 TYR QD 111 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1479,1488,
igr2=1770,1771,1772,
&end
#
# 76 ARG HA 79 LEU QD2 5.91
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2=1265,1266,1267,
&end
#
# 76 ARG HA 76 ARG HD3 6
&rst
ixpk= 0, nxpk= 0, iat=1200,1209, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 MET H 109 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1741,1742,1743,
&end
#
# 122 VAL QG1 163 ALA H 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=1945,1946,1947,
&end
#
# 38 THR QG2 99 MET HG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1562, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 589, 590, 591,
&end
#
# 38 THR QG2 99 MET HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 589, 590, 591,
&end
#
# 65 VAL QG1 66 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1014,1015,1016,
&end
#
# 67 LEU H 68 VAL QG1 5.37
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1070,1071,1072,
&end
#
# 167 THR HA 175 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat=2606,2745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 196 VAL QG2 207 VAL HA 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1,3265, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=3073,3074,3075,
&end
#
# 167 THR HA 173 PRO QB 4.45
&rst
ixpk= 0, nxpk= 0, iat=2606, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2719,2720,
&end
#
# 207 VAL HA 208 GLN HG3 6
&rst
ixpk= 0, nxpk= 0, iat=3265,3287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 52 LYS HA 53 ASP HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 803, 825, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 78 LEU QD2 81 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1246,1247,1248,
igr2=1292,1293,1294,
&end
#
# 80 GLN QB 81 ALA QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=1275,1276,
igr2=1292,1293,1294,
&end
#
# 135 VAL HA 136 PHE QB 6
&rst
ixpk= 0, nxpk= 0, iat=2152, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2170,2171,
&end
#
# 35 LEU HA 99 MET HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 536,1560, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 70 GLU HA 71 LEU HB3 5.94
&rst
ixpk= 0, nxpk= 0, iat=1102,1120, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 70 GLU HA 71 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1128,1129,1130,
&end
#
# 73 LYS HA 76 ARG HD2 6
&rst
ixpk= 0, nxpk= 0, iat=1151,1208, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 LYS HA 73 LYS QD 5.26
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1159,1160,
&end
#
# 134 THR QG2 212 TYR QD 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2142,2143,2144,
igr2=3349,3358,
&end
#
# 134 THR QG2 180 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2142,2143,2144,
igr2=2816,2817,2818,
&end
#
# 35 LEU HA 35 LEU QD1 5.66
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2= 543, 544, 545,
&end
#
# 40 ARG H 41 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 647, 648, 649,
&end
#
# 41 VAL QG1 42 PHE QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 647, 648, 649,
igr2= 661, 662,
&end
#
# 40 ARG HG3 41 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 647, 648, 649,
&end
#
# 21 VAL QG2 75 VAL QG1 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.66, r4= 8.16,
igr1= 344, 345, 346,
igr2=1188,1189,1190,
&end
#
# 73 LYS H 75 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1188,1189,1190,
&end
#
# 79 LEU QD1 111 VAL QG2 5.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1=1261,1262,1263,
igr2=1774,1775,1776,
&end
#
# 75 VAL QG1 79 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=1188,1189,1190,
igr2=1261,1262,1263,
&end
#
# 154 ASN HA 159 GLY QA 5.43
&rst
ixpk= 0, nxpk= 0, iat=2426, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2498,2499,
&end
#
# 25 GLY H 26 VAL QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 413, 414, 415,
&end
#
# 66 TYR QD 68 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=1032,1041,
igr2=1074,1075,1076,
&end
#
# 75 VAL HA 79 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1261,1262,1263,
&end
#
# 1 MET HA 193 ALA QB 5.76
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=3027,3028,3029,
&end
#
# 144 LEU H 148 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2341,2342,2343,
&end
#
# 147 GLU HA 148 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2341,2342,2343,
&end
#
# 46 SER H 68 VAL QG2 5.98
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1074,1075,1076,
&end
#
# 46 SER QB 68 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 718, 719,
igr2=1074,1075,1076,
&end
#
# 93 SER HA 94 GLU HG2 5.69
&rst
ixpk= 0, nxpk= 0, iat=1447,1463, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 192 SER H 193 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=3012, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3027,3028,3029,
&end
#
# 156 LEU QD2 193 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=2463,2464,2465,
igr2=3027,3028,3029,
&end
#
# 193 ALA QB 209 ILE QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=3027,3028,3029,
igr2=3309,3310,3311,
&end
#
# 149 LEU HA 150 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2370,2371,2372,
&end
#
# 116 LEU QD1 117 ALA QB 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.12, r4= 8.62,
igr1=1862,1863,1864,
igr2=1876,1877,1878,
&end
#
# 117 ALA H 117 ALA QB 4.3
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1876,1877,1878,
&end
#
# 135 VAL QG2 212 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3341, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2160,2161,2162,
&end
#
# 40 ARG H 41 VAL QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 651, 652, 653,
&end
#
# 41 VAL QG2 45 LEU QD1 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11,
igr1= 651, 652, 653,
igr2= 704, 705, 706,
&end
#
# 79 LEU QD2 80 GLN HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1265,1266,1267,
&end
#
# 194 ALA QB 209 ILE H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,3296, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=3037,3038,3039,
&end
#
# 194 ALA H 194 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat=3033, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=3037,3038,3039,
&end
#
# 194 ALA QB 195 PHE HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,3045, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=3037,3038,3039,
&end
#
# 116 LEU QD2 117 ALA QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
igr1=1866,1867,1868,
igr2=1876,1877,1878,
&end
#
# 196 VAL H 207 VAL QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat=3063, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=3269,3270,3271,
&end
#
# 140 LEU H 207 VAL QG1 5.57
&rst
ixpk= 0, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=3269,3270,3271,
&end
#
# 198 ILE H 207 VAL QG1 5.76
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=3269,3270,3271,
&end
#
# 30 ILE H 30 ILE QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 475, 476, 477,
&end
#
# 54 GLY H 55 LYS HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= 835, 844, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 55 LYS HA 56 HIS QB 5.56
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 868, 869,
&end
#
# 150 ALA QB 154 ASN H 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2424, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2370,2371,2372,
&end
#
# 187 TYR HA 190 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2926, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2990,2991,2992,
&end
#
# 190 ALA QB 194 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3035, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2990,2991,2992,
&end
#
# 202 LYS QG 203 PHE HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3187, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3170,3171,
&end
#
# 188 LEU HA 191 VAL H 5.88
&rst
ixpk= 0, nxpk= 0, iat=2947,2996, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 174 ILE QG2 175 GLY H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2732,2733,2734,
&end
#
# 209 ILE H 209 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=3296, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=3302,3303,3304,
&end
#
# 209 ILE QG2 210 ASP HB3 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1,3320, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=3302,3303,3304,
&end
#
# 191 VAL QG2 209 ILE QG2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=3006,3007,3008,
igr2=3302,3303,3304,
&end
#
# 97 PHE HA 97 PHE QD 5.98
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1521,1529,
&end
#
# 95 TYR HA 96 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat=1473, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1500,1509,
&end
#
# 45 LEU HA 46 SER HA 5.74
&rst
ixpk= 0, nxpk= 0, iat= 697, 716, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 33 ALA H 33 ALA QB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 521, 522, 523,
&end
#
# 151 ALA QB 154 ASN HD22 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2433, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=2380,2381,2382,
&end
#
# 31 THR HB 33 ALA QB 4.34
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 521, 522, 523,
&end
#
# 33 ALA QB 36 VAL QG1 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1= 521, 522, 523,
igr2= 559, 560, 561,
&end
#
# 33 ALA QB 36 VAL QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 521, 522, 523,
igr2= 563, 564, 565,
&end
#
# 198 ILE QG2 199 LYS QE 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=3100,3101,3102,
igr2=3126,3127,
&end
#
# 198 ILE QG2 199 LYS H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,3113, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=3100,3101,3102,
&end
#
# 198 ILE QG2 203 PHE QB 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=3100,3101,3102,
igr2=3189,3190,
&end
#
# 198 ILE QG2 200 THR HB 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3139, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3100,3101,3102,
&end
#
# 97 PHE QE 98 LYS HA 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1535, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1523,1527,
&end
#
# 155 ASP HB3 156 LEU HA 5.86
&rst
ixpk= 0, nxpk= 0, iat=2443,2452, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 151 ALA QB 154 ASN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2424, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2380,2381,2382,
&end
#
# 151 ALA QB 152 ILE QG1 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=2380,2381,2382,
igr2=2396,2397,
&end
#
# 198 ILE QG2 200 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3137, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3100,3101,3102,
&end
#
# 198 ILE QG2 200 THR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3135, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3100,3101,3102,
&end
#
# 195 PHE HA 209 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=3045, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3309,3310,3311,
&end
#
# 1 MET Q 1 MET QE 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 2, 3, 4,
igr2= 15, 16, 17,
&end
#
# 1 MET QE 193 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3023, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 193 ALA HA 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 156 LEU HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2452, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 15, 16, 17,
&end
#
# 1 MET HG3 1 MET QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= 12, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 15, 16, 17,
&end
#
# 1 MET QE 193 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= 15, 16, 17,
igr2=3027,3028,3029,
&end
#
# 1 MET QE 156 LEU QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 15, 16, 17,
igr2=2459,2460,2461,
&end
#
# 1 MET QE 156 LEU QD2 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 15, 16, 17,
igr2=2463,2464,2465,
&end
#
# 22 PHE H 112 ILE QG2 5.7
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1786,1787,1788,
&end
#
# 120 ASN HA 146 ALA QB 5.41
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2316,2317,2318,
&end
#
# 16 ILE QG2 16 ILE HG13 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 256, 257, 258,
&end
#
# 25 GLY QA 99 MET QE 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr1= 398, 399,
igr2=1566,1567,1568,
&end
#
# 28 TRP HZ2 104 MET QE 4.61
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1653,1654,1655,
&end
#
# 104 MET QG 104 MET QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1649,1650,
igr2=1653,1654,1655,
&end
#
# 104 MET H 104 MET QE 5.56
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1653,1654,1655,
&end
#
# 16 ILE QG2 17 TYR HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 256, 257, 258,
&end
#
# 37 ASN HA 40 ARG HG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 571, 624, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 103 ARG HA 103 ARG QG 4.24
&rst
ixpk= 0, nxpk= 0, iat=1620, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1625,1626,
&end
#
# 104 MET QE 105 ARG H 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1653,1654,1655,
&end
#
# 25 GLY H 99 MET QE 6
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1566,1567,1568,
&end
#
# 30 ILE H 104 MET QE 5.24
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1653,1654,1655,
&end
#
# 149 LEU QD1 165 ILE QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=2356,2357,2358,
igr2=2579,2580,2581,
&end
#
# 37 ASN HA 39 PHE H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 571, 597, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 138 GLY H 139 ALA QB 5.1
&rst
ixpk= 0, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2213,2214,2215,
&end
#
# 139 ALA QB 208 GLN QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2213,2214,2215,
igr2=3283,3284,
&end
#
# 139 ALA QB 140 LEU H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2219, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2213,2214,2215,
&end
#
# 128 ARG HA 128 ARG QD 5.6
&rst
ixpk= 0, nxpk= 0, iat=2034, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=2042,2043,
&end
#
# 147 GLU HB3 148 ALA HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=2327,2339, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 1 MET HA 196 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3069,3070,3071,
&end
#
# 150 ALA QB 151 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2378, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2370,2371,2372,
&end
#
# 148 ALA HA 152 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2399,2400,2401,
&end
#
# 194 ALA QB 208 GLN HA 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,3281, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=3037,3038,3039,
&end
#
# 178 ARG HA 179 VAL HB 5.87
&rst
ixpk= 0, nxpk= 0, iat=2772,2798, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 124 SER HA 126 SER H 5.76
&rst
ixpk= 0, nxpk= 0, iat=1981,2004, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 207 VAL QG2 208 GLN HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3281, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3273,3274,3275,
&end
#
# 133 ARG HA 134 THR HA 5.63
&rst
ixpk= 0, nxpk= 0, iat=2114,2138, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 189 LYS H 190 ALA HA 6
&rst
ixpk= 0, nxpk= 0, iat=2964,2988, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 VAL QG1 178 ARG HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2772, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2192,2193,2194,
&end
#
# 6 GLN HA 6 GLN HE22 5.93
&rst
ixpk= 0, nxpk= 0, iat= 79, 89, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 90 ASP HA 90 ASP QB 3.38
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1411,1412,
&end
#
# 6 GLN HA 7 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 107, 108, 109,
&end
#
# 198 ILE QD1 207 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3263, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3107,3108,3109,
&end
#
# 3 TRP HH2 152 ILE QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2396,2397,
&end
#
# 30 ILE QD1 31 THR HB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 482, 483, 484,
&end
#
# 166 ASP H 174 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2739,2740,2741,
&end
#
# 209 ILE QG2 209 ILE QD1 4.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=3302,3303,3304,
igr2=3309,3310,3311,
&end
#
# 191 VAL HA 209 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2998, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3309,3310,3311,
&end
#
# 194 ALA QB 209 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
igr1=3037,3038,3039,
igr2=3309,3310,3311,
&end
#
# 194 ALA HA 209 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=3035, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3309,3310,3311,
&end
#
# 78 LEU HA 81 ALA HA 5.78
&rst
ixpk= 0, nxpk= 0, iat=1235,1290, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 22 PHE QD 23 LEU HA 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 358, 366,
&end
#
# 80 GLN HA 81 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat=1273,1290, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 111 VAL H 112 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1793,1794,1795,
&end
#
# 23 LEU HA 109 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1741,1742,1743,
&end
#
# 29 ASP HA 30 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 482, 483, 484,
&end
#
# 110 GLN QB 112 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1751,1752,
igr2=1793,1794,1795,
&end
#
# 85 ASP HA 87 LEU H 5.75
&rst
ixpk= 0, nxpk= 0, iat=1339,1363, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 85 ASP HA 86 PRO QD 4.19
&rst
ixpk= 0, nxpk= 0, iat=1339, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1350,1351,
&end
#
# 163 ALA HA 179 VAL HB 4.77
&rst
ixpk= 0, nxpk= 0, iat=2558,2798, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 163 ALA HA 164 GLY QA 5.17
&rst
ixpk= 0, nxpk= 0, iat=2558, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2568,2569,
&end
#
# 88 SER H 89 PRO HD3 5.59
&rst
ixpk= 0, nxpk= 0, iat=1382,1395, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 86 PRO QD 88 SER H 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1382, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1350,1351,
&end
#
# 165 ILE H 165 ILE QD1 5.32
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=2586,2587,2588,
&end
#
# 115 VAL H 116 LEU H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1837,1853, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 17 TYR QE 115 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1837, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 279, 284,
&end
#
# 115 VAL H 115 VAL QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1847,1848,1849,
&end
#
# 114 TRP HE1 115 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1823,1837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 114 TRP HE1 167 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2610,2611,2612,
&end
#
# 18 SER H 115 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= 290,1837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 198 ILE H 203 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3193,3201,
&end
#
# 198 ILE H 204 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3211,3212,3213,
&end
#
# 196 VAL QG2 198 ILE H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,3094, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=3073,3074,3075,
&end
#
# 198 ILE H 205 LYS HB3 5.22
&rst
ixpk= 0, nxpk= 0, iat=3094,3224, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 198 ILE H 204 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat=3094,3207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 SER HA 199 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= 61,3113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 ASP H 166 ASP QB 4.58
&rst
ixpk= 0, nxpk= 0, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2596,2597,
&end
#
# 4 SER H 199 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= 59,3113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 PHE QB 163 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1923,1924,
&end
#
# 120 ASN QB 163 ALA H 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1909,1910,
&end
#
# 205 LYS HB3 206 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=3224,3241, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 197 GLU H 197 GLU HG3 6
&rst
ixpk= 0, nxpk= 0, iat=3079,3087, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 196 VAL H 197 GLU H 5.19
&rst
ixpk= 0, nxpk= 0, iat=3063,3079, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 2 THR HA 197 GLU H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 23,3079, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 95 TYR H 111 VAL H 5.52
&rst
ixpk= 0, nxpk= 0, iat=1471,1764, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 23 LEU QD2 111 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1764, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 383, 384, 385,
&end
#
# 16 ILE HB 17 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 2 THR H 3 TRP H 5.18
&rst
ixpk= 0, nxpk= 0, iat= 21, 35, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 3 TRP H 3 TRP HD1 6
&rst
ixpk= 0, nxpk= 0, iat= 35, 43, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 210 ASP H 210 ASP HB3 4.6
&rst
ixpk= 0, nxpk= 0, iat=3315,3320, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 205 LYS H 206 LYS H 5.73
&rst
ixpk= 0, nxpk= 0, iat=3219,3241, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 135 VAL HA 210 ASP H 5.86
&rst
ixpk= 0, nxpk= 0, iat=2152,3315, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 136 PHE QD 210 ASP H 5
&rst
ixpk= 0, nxpk= 0, iat= -1,3315, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2174,2182,
&end
#
# 136 PHE QB 210 ASP H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,3315, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2170,2171,
&end
#
# 121 PHE QD 122 VAL H 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1,1939, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1927,1935,
&end
#
# 121 PHE QB 122 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1939, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1923,1924,
&end
#
# 23 LEU QD2 112 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 383, 384, 385,
&end
#
# 22 PHE QD 112 ILE H 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 358, 366,
&end
#
# 21 VAL QG2 112 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 344, 345, 346,
&end
#
# 198 ILE H 205 LYS H 4.2
&rst
ixpk= 0, nxpk= 0, iat=3094,3219, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 204 THR H 205 LYS H 5.1
&rst
ixpk= 0, nxpk= 0, iat=3205,3219, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 203 PHE QD 205 LYS H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=3193,3201,
&end
#
# 198 ILE HB 205 LYS H 5.55
&rst
ixpk= 0, nxpk= 0, iat=3098,3219, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 203 PHE QB 205 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3189,3190,
&end
#
# 24 GLY H 110 GLN H 4.54
&rst
ixpk= 0, nxpk= 0, iat= 389,1747, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 107 LYS H 107 LYS QE 6
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1707,1708,
&end
#
# 137 VAL H 177 GLY QA 5.67
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2765,2766,
&end
#
# 137 VAL H 176 SER QB 5.71
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2756,2757,
&end
#
# 137 VAL H 177 GLY H 4.45
&rst
ixpk= 0, nxpk= 0, iat=2186,2763, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 137 VAL H 209 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2186, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3302,3303,3304,
&end
#
# 123 ARG H 124 SER QB 5.2
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1983,1984,
&end
#
# 96 TYR QE 110 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1502,1507,
&end
#
# 137 VAL H 209 ILE HA 6
&rst
ixpk= 0, nxpk= 0, iat=2186,3298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 LEU H 72 GLU H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1115,1134, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 72 GLU H 74 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1134,1171, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 72 GLU H 75 VAL H 5.85
&rst
ixpk= 0, nxpk= 0, iat=1134,1182, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 129 LEU H 130 ASP H 5.55
&rst
ixpk= 0, nxpk= 0, iat=2056,2075, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 181 PHE H 181 PHE QD 4.56
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2832,2840,
&end
#
# 181 PHE H 181 PHE QE 5.98
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=2834,2838,
&end
#
# 116 LEU H 116 LEU QB 4.53
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1857,1858,
&end
#
# 114 TRP QB 116 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1817,1818,
&end
#
# 115 VAL QG1 116 LEU H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1843,1844,1845,
&end
#
# 16 ILE H 116 LEU H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 250,1853, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 114 TRP HD1 116 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1821,1853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 TYR QD 116 LEU H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 277, 286,
&end
#
# 17 TYR H 116 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= 269,1853, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 97 PHE H 109 VAL HA 5.81
&rst
ixpk= 0, nxpk= 0, iat=1513,1733, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 209 ILE H 210 ASP H 5.09
&rst
ixpk= 0, nxpk= 0, iat=3296,3315, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 208 GLN HE21 209 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat=3292,3296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 209 ILE H 209 ILE HB 4.67
&rst
ixpk= 0, nxpk= 0, iat=3296,3300, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 194 ALA HA 209 ILE H 5.87
&rst
ixpk= 0, nxpk= 0, iat=3035,3296, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 208 GLN HG2 209 ILE H 5.76
&rst
ixpk= 0, nxpk= 0, iat=3286,3296, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 51 GLY H 52 LYS H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 52 LYS H 53 ASP H 4.59
&rst
ixpk= 0, nxpk= 0, iat= 801, 823, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 49 TRP HD1 52 LYS H 5.27
&rst
ixpk= 0, nxpk= 0, iat= 764, 801, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 77 SER HB3 78 LEU H 5.32
&rst
ixpk= 0, nxpk= 0, iat=1227,1233, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 96 TYR QD 97 PHE H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1500,1509,
&end
#
# 97 PHE H 98 LYS QE 5.46
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=1546,1547,
&end
#
# 194 ALA H 209 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat=3033,3296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 195 PHE QD 209 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3296, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3051,3059,
&end
#
# 85 ASP H 96 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1502,1507,
&end
#
# 55 LYS H 55 LYS HG2 6
&rst
ixpk= 0, nxpk= 0, iat= 842, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 130 ASP H 130 ASP HB2 4.33
&rst
ixpk= 0, nxpk= 0, iat=2075,2079, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 130 ASP H 130 ASP HB3 4.2
&rst
ixpk= 0, nxpk= 0, iat=2075,2080, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 CYS H 19 CYS QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 305, 306,
&end
#
# 35 LEU H 36 VAL H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 534, 553, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 34 GLY H 35 LEU H 4.34
&rst
ixpk= 0, nxpk= 0, iat= 527, 534, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 48 GLU H 66 TYR QB 6
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1028,1029,
&end
#
# 162 TYR H 180 THR H 4.96
&rst
ixpk= 0, nxpk= 0, iat=2535,2810, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 162 TYR QD 180 THR H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2543,2552,
&end
#
# 179 VAL QG1 180 THR H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2800,2801,2802,
&end
#
# 97 PHE H 109 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1513,1731, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 98 LYS H 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1533,1731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 TYR QD 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1500,1509,
&end
#
# 98 LYS QE 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1546,1547,
&end
#
# 99 MET QE 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1566,1567,1568,
&end
#
# 193 ALA H 195 PHE H 5.72
&rst
ixpk= 0, nxpk= 0, iat=3023,3043, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 189 LYS HG2 193 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2971,3023, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 136 PHE H 212 TYR H 5.13
&rst
ixpk= 0, nxpk= 0, iat=2166,3341, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 136 PHE H 136 PHE QB 4.52
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2170,2171,
&end
#
# 136 PHE H 212 TYR QB 5.87
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=3345,3346,
&end
#
# 48 GLU H 67 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= 741,1045, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 48 GLU H 68 VAL H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 741,1064, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 48 GLU H 66 TYR QD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1032,1041,
&end
#
# 179 VAL QG2 180 THR H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2804,2805,2806,
&end
#
# 48 GLU H 68 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1074,1075,1076,
&end
#
# 192 SER QB 193 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,3023, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=3016,3017,
&end
#
# 193 ALA H 209 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3309,3310,3311,
&end
#
# 190 ALA QB 193 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3023, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2990,2991,2992,
&end
#
# 191 VAL QG2 193 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3023, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3006,3007,3008,
&end
#
# 134 THR H 212 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat=2136,3341, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 212 TYR H 212 TYR QD 5.08
&rst
ixpk= 0, nxpk= 0, iat=3341, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=3349,3358,
&end
#
# 212 TYR H 212 TYR QB 4.7
&rst
ixpk= 0, nxpk= 0, iat=3341, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=3345,3346,
&end
#
# 135 VAL QG1 212 TYR H 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,3341, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2156,2157,2158,
&end
#
# 45 LEU H 45 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 704, 705, 706,
&end
#
# 45 LEU H 70 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= 695,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 189 LYS H 190 ALA H 4.17
&rst
ixpk= 0, nxpk= 0, iat=2964,2986, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 189 LYS HB3 190 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat=2969,2986, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 190 ALA H 193 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2986, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3027,3028,3029,
&end
#
# 188 LEU H 190 ALA H 5.39
&rst
ixpk= 0, nxpk= 0, iat=2945,2986, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 186 SER HA 190 ALA H 5.69
&rst
ixpk= 0, nxpk= 0, iat=2915,2986, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 40 ARG HG3 45 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= 625, 695, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU H 46 SER HA 6
&rst
ixpk= 0, nxpk= 0, iat= 695, 716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 208 GLN H 209 ILE H 5.96
&rst
ixpk= 0, nxpk= 0, iat=3279,3296, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 161 VAL H 162 TYR H 4.33
&rst
ixpk= 0, nxpk= 0, iat=2519,2535, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 162 TYR H 180 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2816,2817,2818,
&end
#
# 162 TYR H 162 TYR QD 5.82
&rst
ixpk= 0, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2543,2552,
&end
#
# 105 ARG H 106 CYS QB 6
&rst
ixpk= 0, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1687,1688,
&end
#
# 165 ILE H 165 ILE QG1 5.73
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2583,2584,
&end
#
# 94 GLU H 95 TYR H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1456,1471, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 94 GLU H 95 TYR QD 5.94
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2=1479,1488,
&end
#
# 94 GLU H 94 GLU HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1456,1463, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 104 MET QB 105 ARG H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1646,1647,
&end
#
# 3 TRP H 4 SER H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 35, 59, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 3 TRP HZ3 4 SER H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 52, 59, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 4 SER H 4 SER QB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 63, 64,
&end
#
# 28 TRP HB2 30 ILE H 5.86
&rst
ixpk= 0, nxpk= 0, iat= 437, 469, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 95 TYR H 95 TYR QD 5.01
&rst
ixpk= 0, nxpk= 0, iat=1471, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1479,1488,
&end
#
# 4 SER H 5 GLY H 4.72
&rst
ixpk= 0, nxpk= 0, iat= 59, 70, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 3 TRP QB 4 SER H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 39, 40,
&end
#
# 30 ILE H 31 THR H 6
&rst
ixpk= 0, nxpk= 0, iat= 469, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 31 THR HB 32 GLU H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 492, 502, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 99 MET H 99 MET HG2 5.25
&rst
ixpk= 0, nxpk= 0, iat=1555,1562, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 97 PHE QE 99 MET H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1555, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1523,1527,
&end
#
# 28 TRP H 29 ASP QB 6
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 461, 462,
&end
#
# 119 SER H 146 ALA H 5.56
&rst
ixpk= 0, nxpk= 0, iat=1894,2312, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 127 GLN H 128 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2015,2032, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 ARG H 129 LEU H 5.8
&rst
ixpk= 0, nxpk= 0, iat=2032,2056, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 154 ASN H 155 ASP H 4.92
&rst
ixpk= 0, nxpk= 0, iat=2424,2438, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 146 ALA H 147 GLU H 4.41
&rst
ixpk= 0, nxpk= 0, iat=2312,2322, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 146 ALA H 148 ALA H 5.96
&rst
ixpk= 0, nxpk= 0, iat=2312,2337, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 154 ASN HD22 155 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=2433,2438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 151 ALA HA 155 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=2378,2438, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 ASN H 146 ALA H 5.38
&rst
ixpk= 0, nxpk= 0, iat=2298,2312, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 145 ASN QB 146 ALA H 5.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2312, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=2302,2303,
&end
#
# 170 HIS HD2 172 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat=2665,2691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 PHE H 163 ALA H 5
&rst
ixpk= 0, nxpk= 0, iat=1919,2556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 PHE H 162 TYR QE 5.44
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2545,2550,
&end
#
# 121 PHE H 146 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=2316,2317,2318,
&end
#
# 16 ILE H 17 TYR H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 250, 269, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 16 ILE H 116 LEU QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1862,1863,1864,
&end
#
# 184 GLN HG3 185 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2880,2889, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 184 GLN H 185 ARG H 5.52
&rst
ixpk= 0, nxpk= 0, iat=2872,2889, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 185 ARG H 186 SER H 3.95
&rst
ixpk= 0, nxpk= 0, iat=2889,2913, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 185 ARG H 187 TYR H 4.79
&rst
ixpk= 0, nxpk= 0, iat=2889,2924, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 16 ILE H 17 TYR QD 5.63
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 277, 286,
&end
#
# 16 ILE H 115 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1847,1848,1849,
&end
#
# 21 VAL H 66 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1032,1041,
&end
#
# 21 VAL H 21 VAL QG2 5.9
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2= 344, 345, 346,
&end
#
# 154 ASN H 155 ASP HB3 5.74
&rst
ixpk= 0, nxpk= 0, iat=2424,2443, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 11 ASN H 12 TYR H 4.4
&rst
ixpk= 0, nxpk= 0, iat= 165, 179, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 12 TYR H 12 TYR QD 4.1
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 187, 196,
&end
#
# 198 ILE H 207 VAL H 5.24
&rst
ixpk= 0, nxpk= 0, iat=3094,3263, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 206 LYS H 207 VAL H 5.4
&rst
ixpk= 0, nxpk= 0, iat=3241,3263, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 196 VAL QG2 207 VAL H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,3263, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=3073,3074,3075,
&end
#
# 39 PHE QD 40 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 605, 613,
&end
#
# 36 VAL QG1 40 ARG H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 559, 560, 561,
&end
#
# 168 ASP H 171 LYS H 4.68
&rst
ixpk= 0, nxpk= 0, iat=2618,2669, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 168 ASP H 170 HIS H 5
&rst
ixpk= 0, nxpk= 0, iat=2618,2652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 167 THR HB 168 ASP H 4.59
&rst
ixpk= 0, nxpk= 0, iat=2608,2618, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 188 LEU H 189 LYS H 4.47
&rst
ixpk= 0, nxpk= 0, iat=2945,2964, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 189 LYS H 192 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=2964,3012, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 189 LYS H 191 VAL H 5.3
&rst
ixpk= 0, nxpk= 0, iat=2964,2996, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 187 TYR QD 189 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2964, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2932,2941,
&end
#
# 187 TYR H 189 LYS H 5.44
&rst
ixpk= 0, nxpk= 0, iat=2924,2964, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 189 LYS H 189 LYS HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat=2964,2969, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 91 GLY H 92 LEU H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1419,1426, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 92 LEU H 92 LEU HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat=1426,1431, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 195 PHE HB2 207 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=3047,3263, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 GLU QB 36 VAL H 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 506, 507,
&end
#
# 38 THR HB 40 ARG H 5.87
&rst
ixpk= 0, nxpk= 0, iat= 587, 617, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 38 THR HA 40 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= 585, 617, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 1 MET Q 197 GLU HG3 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,3087, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 2, 3, 4,
&end
#
# 84 HIS H 96 TYR H 6
&rst
ixpk= 0, nxpk= 0, iat=1320,1492, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 149 LEU QD2 151 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2360,2361,2362,
&end
#
# 71 LEU H 75 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1115,1182, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 87 LEU H 88 SER H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1363,1382, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 87 LEU H 87 LEU HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1363,1367, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 85 ASP HB3 87 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1342,1363, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 PRO HG3 87 LEU H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1354,1363, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 116 LEU QD2 117 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1866,1867,1868,
&end
#
# 147 GLU H 148 ALA H 4.69
&rst
ixpk= 0, nxpk= 0, iat=2322,2337, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 145 ASN H 148 ALA H 5.04
&rst
ixpk= 0, nxpk= 0, iat=2298,2337, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 147 GLU HB3 148 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2327,2337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 SER HB3 75 VAL H 5.86
&rst
ixpk= 0, nxpk= 0, iat=1176,1182, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 84 HIS H 85 ASP H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1320,1337, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 84 HIS H 84 HIS HD2 5.83
&rst
ixpk= 0, nxpk= 0, iat=1320,1333, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 116 LEU QB 117 ALA H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1857,1858,
&end
#
# 117 ALA H 118 ASP H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1872,1882, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 16 ILE H 117 ALA H 5.91
&rst
ixpk= 0, nxpk= 0, iat= 250,1872, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 161 VAL H 161 VAL QG2 5.8
&rst
ixpk= 0, nxpk= 0, iat=2519, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2529,2530,2531,
&end
#
# 116 LEU H 117 ALA H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1853,1872, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 36 VAL QG1 47 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 559, 560, 561,
&end
#
# 47 VAL H 48 GLU H 5.33
&rst
ixpk= 0, nxpk= 0, iat= 725, 741, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 45 LEU HA 70 GLU H 5.46
&rst
ixpk= 0, nxpk= 0, iat= 697,1100, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 163 ALA HA 178 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2558,2770, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 163 ALA QB 178 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2770, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2560,2561,2562,
&end
#
# 4 SER H 6 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= 59, 77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 SER HB2 70 GLU H 5.59
&rst
ixpk= 0, nxpk= 0, iat= 688,1100, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &end
#
# 44 SER HB3 70 GLU H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 689,1100, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 45 LEU QD1 70 GLU H 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 704, 705, 706,
&end
#
# 133 ARG H 212 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3351,3356,
&end
#
# 164 GLY H 178 ARG H 4.19
&rst
ixpk= 0, nxpk= 0, iat=2566,2770, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 164 GLY QA 178 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2770, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2568,2569,
&end
#
# 137 VAL HB 178 ARG H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2190,2770, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 136 PHE HA 179 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=2168,2794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 SER H 133 ARG H 4.17
&rst
ixpk= 0, nxpk= 0, iat=2101,2112, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 130 ASP HB3 133 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat=2080,2112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 ARG H 134 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2142,2143,2144,
&end
#
# 32 GLU H 33 ALA H 4.3
&rst
ixpk= 0, nxpk= 0, iat= 502, 517, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 33 ALA H 35 LEU H 5.63
&rst
ixpk= 0, nxpk= 0, iat= 517, 534, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 33 ALA H 34 GLY H 4.39
&rst
ixpk= 0, nxpk= 0, iat= 517, 527, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 31 THR HB 33 ALA H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 492, 517, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 106 CYS H 107 LYS H 5.1
&rst
ixpk= 0, nxpk= 0, iat=1683,1694, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 134 THR QG2 179 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=2142,2143,2144,
&end
#
# 134 THR H 179 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=2136,2794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 143 MET H 143 MET HG3 6
&rst
ixpk= 0, nxpk= 0, iat=2262,2270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 171 LYS H 172 TYR H 3.73
&rst
ixpk= 0, nxpk= 0, iat=2669,2691, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 42 PHE H 42 PHE QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 665, 673,
&end
#
# 170 HIS H 171 LYS H 4.01
&rst
ixpk= 0, nxpk= 0, iat=2652,2669, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 40 ARG H 42 PHE H 5.77
&rst
ixpk= 0, nxpk= 0, iat= 617, 657, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 40 ARG HA 42 PHE H 5.66
&rst
ixpk= 0, nxpk= 0, iat= 619, 657, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 48 GLU H 49 TRP H 6
&rst
ixpk= 0, nxpk= 0, iat= 741, 756, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 101 SER H 104 MET H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1583,1642, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 103 ARG H 104 MET H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1618,1642, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 58 ARG H 59 CYS H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 895, 919, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 HIS QB 58 ARG H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 868, 869,
&end
#
# 58 ARG H 59 CYS HB3 5.75
&rst
ixpk= 0, nxpk= 0, iat= 895, 924, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 145 ASN H 147 GLU H 5.48
&rst
ixpk= 0, nxpk= 0, iat=2298,2322, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 147 GLU H 148 ALA HA 5.81
&rst
ixpk= 0, nxpk= 0, iat=2322,2339, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 138 GLY H 139 ALA H 5.15
&rst
ixpk= 0, nxpk= 0, iat=2202,2209, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 139 ALA H 140 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2228,2229,2230,
&end
#
# 187 TYR H 190 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2924,2986, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 186 SER H 188 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=2913,2945, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 181 PHE QD 186 SER H 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2832,2840,
&end
#
# 181 PHE QE 186 SER H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2834,2838,
&end
#
# 186 SER H 187 TYR H 4.65
&rst
ixpk= 0, nxpk= 0, iat=2913,2924, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 185 ARG QD 186 SER H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2899,2900,
&end
#
# 83 SER H 96 TYR H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1309,1492, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 96 TYR H 96 TYR QD 4.62
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1500,1509,
&end
#
# 83 SER QB 96 TYR H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1313,1314,
&end
#
# 95 TYR QB 96 TYR H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1475,1476,
&end
#
# 1 MET Q 2 THR H 5
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 2, 3, 4,
&end
#
# 185 ARG H 188 LEU H 5.9
&rst
ixpk= 0, nxpk= 0, iat=2889,2945, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 187 TYR QD 188 LEU H 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2945, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=2932,2941,
&end
#
# 187 TYR H 188 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2924,2945, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 62 LYS H 62 LYS QG 6
&rst
ixpk= 0, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 965, 966,
&end
#
# 143 MET H 144 LEU H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2262,2279, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 144 LEU H 145 ASN HD21 5.85
&rst
ixpk= 0, nxpk= 0, iat=2279,2308, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 142 GLY QA 144 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2257,2258,
&end
#
# 143 MET HG3 144 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=2270,2279, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 143 MET HB3 144 LEU H 4.73
&rst
ixpk= 0, nxpk= 0, iat=2267,2279, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 144 LEU H 144 LEU QD1 5.2
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2288,2289,2290,
&end
#
# 144 LEU H 174 ILE QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2736,2737,
&end
#
# 134 THR H 212 TYR QE 5.31
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=3351,3356,
&end
#
# 58 ARG HB2 59 CYS H 5.94
&rst
ixpk= 0, nxpk= 0, iat= 899, 919, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 135 VAL H 179 VAL H 4.58
&rst
ixpk= 0, nxpk= 0, iat=2150,2794, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 134 THR H 135 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=2136,2150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 VAL H 212 TYR QD 5.93
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr2=3349,3358,
&end
#
# 83 SER H 83 SER QB 4.17
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1313,1314,
&end
#
# 134 THR QG2 135 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2142,2143,2144,
&end
#
# 196 VAL H 207 VAL H 4.09
&rst
ixpk= 0, nxpk= 0, iat=3063,3263, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 196 VAL H 206 LYS HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat=3063,3246, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 79 LEU H 80 GLN H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1252,1271, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 72 GLU H 73 LYS H 3.87
&rst
ixpk= 0, nxpk= 0, iat=1134,1149, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 73 LYS H 74 SER H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1149,1171, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 73 LYS H 75 VAL H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1149,1182, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 80 GLN H 82 CYS H 4.7
&rst
ixpk= 0, nxpk= 0, iat=1271,1298, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 81 ALA H 82 CYS H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1288,1298, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 82 CYS H 83 SER QB 6
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1313,1314,
&end
#
# 70 GLU HA 73 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=1102,1149, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 144 LEU H 145 ASN H 5.1
&rst
ixpk= 0, nxpk= 0, iat=2279,2298, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 143 MET HG3 145 ASN H 5.54
&rst
ixpk= 0, nxpk= 0, iat=2270,2298, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 145 ASN H 148 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2341,2342,2343,
&end
#
# 145 ASN H 174 ILE QD1 5.56
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=2739,2740,2741,
&end
#
# 89 PRO HD3 90 ASP H 4.8
&rst
ixpk= 0, nxpk= 0, iat=1395,1407, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 201 THR H 202 LYS H 5
&rst
ixpk= 0, nxpk= 0, iat=3149,3163, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 200 THR H 204 THR H 5.98
&rst
ixpk= 0, nxpk= 0, iat=3135,3205, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, &end
#
# 203 PHE HE1 204 THR H 6
&rst
ixpk= 0, nxpk= 0, iat=3195,3205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 203 PHE QD 204 THR H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,3205, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=3193,3201,
&end
#
# 204 THR H 204 THR HB 4.43
&rst
ixpk= 0, nxpk= 0, iat=3205,3209, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 55 LYS H 56 HIS H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 842, 864, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 55 LYS HB3 56 HIS H 6
&rst
ixpk= 0, nxpk= 0, iat= 847, 864, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 119 SER H 120 ASN H 3.94
&rst
ixpk= 0, nxpk= 0, iat=1894,1905, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 118 ASP HA 120 ASN H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1884,1905, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 73 LYS H 76 ARG H 5.64
&rst
ixpk= 0, nxpk= 0, iat=1149,1198, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 74 SER H 76 ARG H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1171,1198, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 75 VAL H 76 ARG H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1182,1198, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 76 ARG H 76 ARG QG 5.07
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1205,1206,
&end
#
# 181 PHE H 182 ASN H 5.23
&rst
ixpk= 0, nxpk= 0, iat=2824,2844, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 181 PHE HB3 182 ASN H 5.36
&rst
ixpk= 0, nxpk= 0, iat=2829,2844, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 160 VAL QG1 182 ASN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2844, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2509,2510,2511,
&end
#
# 71 LEU H 73 LYS H 5.69
&rst
ixpk= 0, nxpk= 0, iat=1115,1149, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 70 GLU H 71 LEU H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1100,1115, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 54 GLY QA 56 HIS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 837, 838,
&end
#
# 93 SER H 93 SER HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1445,1449, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 92 LEU HB3 93 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1431,1445, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 88 SER H 90 ASP H 5.54
&rst
ixpk= 0, nxpk= 0, iat=1382,1407, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 70 GLU HA 74 SER H 5.68
&rst
ixpk= 0, nxpk= 0, iat=1102,1171, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 143 MET H 145 ASN H 6
&rst
ixpk= 0, nxpk= 0, iat=2262,2298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 SER H 75 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1171,1182, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 51 GLY H 53 ASP H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 794, 823, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 53 ASP H 54 GLY H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 28 TRP HD1 29 ASP H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 441, 457, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 29 ASP H 30 ILE H 4.21
&rst
ixpk= 0, nxpk= 0, iat= 457, 469, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 63 GLY H 64 TYR H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 64 TYR H 64 TYR QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 995,1004,
&end
#
# 40 ARG H 41 VAL H 4.3
&rst
ixpk= 0, nxpk= 0, iat= 617, 641, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 VAL H 42 PHE H 3.98
&rst
ixpk= 0, nxpk= 0, iat= 641, 657, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 41 VAL H 42 PHE QD 5.6
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 665, 673,
&end
#
# 36 VAL H 37 ASN H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 553, 569, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 35 LEU H 37 ASN H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 534, 569, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 37 ASN H 38 THR H 4.4
&rst
ixpk= 0, nxpk= 0, iat= 569, 583, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 37 ASN H 38 THR HA 5.88
&rst
ixpk= 0, nxpk= 0, iat= 569, 585, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, &end
#
# 116 LEU H 118 ASP H 5.78
&rst
ixpk= 0, nxpk= 0, iat=1853,1882, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, &end
#
# 118 ASP H 119 SER H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1882,1894, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 115 VAL HA 118 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=1839,1882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 100 SER H 100 SER HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat=1572,1577, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 142 GLY H 143 MET H 5.24
&rst
ixpk= 0, nxpk= 0, iat=2255,2262, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 142 GLY H 144 LEU H 5.57
&rst
ixpk= 0, nxpk= 0, iat=2255,2279, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 152 ILE HB 153 LEU H 5.69
&rst
ixpk= 0, nxpk= 0, iat=2390,2405, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 155 ASP H 156 LEU H 4.7
&rst
ixpk= 0, nxpk= 0, iat=2438,2450, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 154 ASN HD21 155 ASP HB3 6
&rst
ixpk= 0, nxpk= 0, iat=2434,2443, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 75 VAL H 77 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1182,1222, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 76 ARG H 77 SER H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1198,1222, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 77 SER H 77 SER HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 75 VAL QG1 77 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1188,1189,1190,
&end
#
# 77 SER H 79 LEU H 5.72
&rst
ixpk= 0, nxpk= 0, iat=1222,1252, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 142 GLY H 144 LEU HB2 6
&rst
ixpk= 0, nxpk= 0, iat=2255,2283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 153 LEU H 154 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat=2405,2433, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 38 THR H 39 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 605, 613,
&end
#
# 39 PHE H 41 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 651, 652, 653,
&end
#
# 39 PHE H 41 VAL H 5.69
&rst
ixpk= 0, nxpk= 0, iat= 597, 641, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 37 ASN H 39 PHE H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 569, 597, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 39 PHE H 39 PHE QE 6
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 607, 611,
&end
#
# 200 THR H 202 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat=3135,3163, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 200 THR H 203 PHE H 4.27
&rst
ixpk= 0, nxpk= 0, iat=3135,3185, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 200 THR H 203 PHE QD 5.63
&rst
ixpk= 0, nxpk= 0, iat=3135, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=3193,3201,
&end
#
# 199 LYS HB3 200 THR H 5.49
&rst
ixpk= 0, nxpk= 0, iat=3118,3135, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 200 THR H 200 THR QG2 4.88
&rst
ixpk= 0, nxpk= 0, iat=3135, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=3141,3142,3143,
&end
#
# 39 PHE H 40 ARG H 4.43
&rst
ixpk= 0, nxpk= 0, iat= 597, 617, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 36 VAL QG1 39 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 559, 560, 561,
&end
#
# 39 PHE H 39 PHE QD 4.89
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 605, 613,
&end
#
# 192 SER H 193 ALA H 3.95
&rst
ixpk= 0, nxpk= 0, iat=3012,3023, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 190 ALA H 192 SER H 5.3
&rst
ixpk= 0, nxpk= 0, iat=2986,3012, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 192 SER H 192 SER QB 4.07
&rst
ixpk= 0, nxpk= 0, iat=3012, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=3016,3017,
&end
#
# 191 VAL HB 192 SER H 4.87
&rst
ixpk= 0, nxpk= 0, iat=3000,3012, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 190 ALA QB 192 SER H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,3012, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2990,2991,2992,
&end
#
# 202 LYS H 203 PHE H 3.95
&rst
ixpk= 0, nxpk= 0, iat=3163,3185, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 203 PHE H 203 PHE QD 4.99
&rst
ixpk= 0, nxpk= 0, iat=3185, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=3193,3201,
&end
#
# 194 ALA H 195 PHE H 4.66
&rst
ixpk= 0, nxpk= 0, iat=3033,3043, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 192 SER H 194 ALA H 4.86
&rst
ixpk= 0, nxpk= 0, iat=3012,3033, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 193 ALA H 194 ALA H 3.99
&rst
ixpk= 0, nxpk= 0, iat=3023,3033, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 194 ALA H 209 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=3033, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3309,3310,3311,
&end
#
# 191 VAL H 192 SER H 4.35
&rst
ixpk= 0, nxpk= 0, iat=2996,3012, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 191 VAL H 192 SER QB 6
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3016,3017,
&end
#
# 119 SER H 145 ASN QB 6
&rst
ixpk= 0, nxpk= 0, iat=1894, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2302,2303,
&end
#
# 117 ALA QB 119 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1894, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1876,1877,1878,
&end
#
# 114 TRP HD1 119 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=1821,1894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 190 ALA H 191 VAL H 4.06
&rst
ixpk= 0, nxpk= 0, iat=2986,2996, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 130 ASP HB2 132 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=2079,2101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 174 ILE H 175 GLY H 4.2
&rst
ixpk= 0, nxpk= 0, iat=2726,2745, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 130 ASP HB3 132 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=2080,2101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 174 ILE H 174 ILE QG1 5.23
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2736,2737,
&end
#
# 64 TYR QB 65 VAL H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 991, 992,
&end
#
# 136 PHE QD 138 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2174,2182,
&end
#
# 138 GLY H 208 GLN H 5
&rst
ixpk= 0, nxpk= 0, iat=2202,3279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 GLY H 64 TYR QB 6
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 991, 992,
&end
#
# 25 GLY H 26 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat= 396, 407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 SER H 44 SER HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 684, 689, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 24 GLY H 25 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= 389, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 25 GLY H 26 VAL H 4.13
&rst
ixpk= 0, nxpk= 0, iat= 396, 403, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 23 LEU QD1 25 GLY H 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 379, 380, 381,
&end
#
# 31 THR H 32 GLU H 6
&rst
ixpk= 0, nxpk= 0, iat= 488, 502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 201 THR H 202 LYS QG 6
&rst
ixpk= 0, nxpk= 0, iat=3149, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3170,3171,
&end
#
# 30 ILE QG1 31 THR H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 479, 480,
&end
#
# 201 THR H 203 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat=3149,3185, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 200 THR HB 201 THR H 5.62
&rst
ixpk= 0, nxpk= 0, iat=3139,3149, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 183 ASN H 187 TYR H 5.69
&rst
ixpk= 0, nxpk= 0, iat=2858,2924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 182 ASN H 183 ASN H 4.08
&rst
ixpk= 0, nxpk= 0, iat=2844,2858, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 160 VAL QG1 183 ASN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2858, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2509,2510,2511,
&end
#
# 167 THR H 168 ASP H 5.16
&rst
ixpk= 0, nxpk= 0, iat=2604,2618, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 124 SER H 124 SER QB 3.95
&rst
ixpk= 0, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1983,1984,
&end
#
# 123 ARG HB2 124 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1959,1979, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 122 VAL QG1 124 SER H 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1945,1946,1947,
&end
#
# 182 ASN HB3 183 ASN H 5.87
&rst
ixpk= 0, nxpk= 0, iat=2849,2858, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 145 ASN HD21 146 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2308,2312, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 145 ASN HD21 147 GLU HB2 6
&rst
ixpk= 0, nxpk= 0, iat=2308,2326, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 51 GLY H 53 ASP HB3 6
&rst
ixpk= 0, nxpk= 0, iat= 794, 828, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 166 ASP H 176 SER H 5.25
&rst
ixpk= 0, nxpk= 0, iat=2592,2752, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 175 GLY H 176 SER H 3.94
&rst
ixpk= 0, nxpk= 0, iat=2745,2752, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 176 SER H 177 GLY QA 5.75
&rst
ixpk= 0, nxpk= 0, iat=2752, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2765,2766,
&end
#
# 174 ILE QG1 176 SER H 5.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2752, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2736,2737,
&end
#
# 17 TYR H 18 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= 269, 290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 155 ASP H 158 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat=2438,2489, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 22 PHE QD 110 GLN HE21 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 358, 366,
&end
#
# 23 LEU H 110 GLN HE21 6
&rst
ixpk= 0, nxpk= 0, iat= 370,1760, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 167 THR QG2 175 GLY H 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=2610,2611,2612,
&end
#
# 166 ASP H 175 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat=2592,2745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 5 GLY H 200 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat= 70,3137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 PHE QD 43 GLY H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 665, 673,
&end
#
# 41 VAL QG2 43 GLY H 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 651, 652, 653,
&end
#
# 5 GLY H 199 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat= 70,3113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 176 SER QB 177 GLY H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2756,2757,
&end
#
# 52 LYS HA 54 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= 803, 835, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 GLY H 109 VAL HA 6
&rst
ixpk= 0, nxpk= 0, iat= 389,1733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 24 GLY H 64 TYR QD 5.39
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 995,1004,
&end
#
# 89 PRO HA 91 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat=1403,1419, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 137 VAL QG1 164 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2192,2193,2194,
&end
#
# 34 GLY H 36 VAL H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 527, 553, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 32 GLU H 34 GLY H 5.44
&rst
ixpk= 0, nxpk= 0, iat= 502, 527, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 31 THR HB 34 GLY H 4.98
&rst
ixpk= 0, nxpk= 0, iat= 492, 527, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 32 GLU QB 34 GLY H 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 506, 507,
&end
#
# 159 GLY H 186 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=2496,2913, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 159 GLY H 160 VAL H 3.96
&rst
ixpk= 0, nxpk= 0, iat=2496,2503, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 159 GLY H 183 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat=2496,2867, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 159 GLY H 160 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat=2496,2507, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 156 LEU H 3 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2450, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 155 ASP H 3 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2438, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 ASP HB2 3 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2442, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 155 ASP HB3 3 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2443, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 152 ILE HA 3 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=2388, 45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 156 LEU QD1 3 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 45, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2459,2460,2461,
&end
#
# 5 GLY H 199 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 70,3113, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY H 3 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 70, 50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 5 GLY H 3 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 70, 48, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN H 3 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 77, 50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN H 3 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 77, 48, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 LEU H 3 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 94, 50, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 LEU H 3 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 94, 48, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 PRO QB 147 GLU HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 134, 135,
&end
#
# 9 PRO QD 147 GLU HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2326, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 128, 129,
&end
#
# 9 PRO QD 147 GLU HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 128, 129,
&end
#
# 12 TYR QE 115 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= 189, 194,
igr2=1843,1844,1845,
&end
#
# 12 TYR QE 117 ALA QB 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 189, 194,
igr2=1876,1877,1878,
&end
#
# 12 TYR QE 115 VAL QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 189, 194,
igr2=1847,1848,1849,
&end
#
# 12 TYR QD 117 ALA QB 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 187, 196,
igr2=1876,1877,1878,
&end
#
# 12 TYR QD 115 VAL QG1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 187, 196,
igr2=1843,1844,1845,
&end
#
# 17 TYR QB 75 VAL H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 273, 274,
&end
#
# 17 TYR H 116 LEU H 5.5
&rst
ixpk= 0, nxpk= 0, iat= 269,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 TYR QD 116 LEU H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 286,
&end
#
# 17 TYR HA 116 LEU H 5.5
&rst
ixpk= 0, nxpk= 0, iat= 271,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 TYR H 72 GLU HG2 5
&rst
ixpk= 0, nxpk= 0, iat= 269,1141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR H 75 VAL QG2 5.5
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1192,1193,1194,
&end
#
# 17 TYR H 72 GLU HB3 5.5
&rst
ixpk= 0, nxpk= 0, iat= 269,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 TYR QE 115 VAL QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 279, 284,
igr2=1847,1848,1849,
&end
#
# 17 TYR QB 115 VAL HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 273, 274,
&end
#
# 17 TYR QE 76 ARG HD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 279, 284,
&end
#
# 17 TYR QD 75 VAL QG1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 286,
igr2=1188,1189,1190,
&end
#
# 17 TYR QD 76 ARG H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 286,
&end
#
# 17 TYR QD 75 VAL H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 286,
&end
#
# 17 TYR H 116 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1862,1863,1864,
&end
#
# 17 TYR QD 79 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 286,
igr2=1261,1262,1263,
&end
#
# 17 TYR QE 75 VAL QG1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 279, 284,
igr2=1188,1189,1190,
&end
#
# 17 TYR QB 21 VAL QG1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 273, 274,
igr2= 340, 341, 342,
&end
#
# 17 TYR QD 79 LEU QD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 286,
igr2=1265,1266,1267,
&end
#
# 17 TYR QB 21 VAL HB 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 273, 274,
&end
#
# 17 TYR QD 76 ARG HD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 286,
&end
#
# 16 ILE H 116 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 250,1853, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 ILE H 117 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 250,1872, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 TYR QD 115 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= 187, 196,
igr2=1843,1844,1845,
&end
#
# 12 TYR QE 115 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= 189, 194,
igr2=1843,1844,1845,
&end
#
# 12 TYR QD 115 VAL HB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 187, 196,
&end
#
# 16 ILE H 115 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1843,1844,1845,
&end
#
# 16 ILE QG2 115 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 256, 257, 258,
igr2=1843,1844,1845,
&end
#
# 15 PRO HA 115 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1843,1844,1845,
&end
#
# 17 TYR H 72 GLU HG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 269,1141, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR H 72 GLU HG3 5.0
&rst
ixpk= 0, nxpk= 0, iat= 269,1142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR QD 79 LEU QD2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 277, 286,
igr2=1265,1266,1267,
&end
#
# 17 TYR QE 79 LEU QD2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 279, 284,
igr2=1265,1266,1267,
&end
#
# 19 CYS H 114 TRP HD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 301,1821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 SER H 114 TRP HD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 290,1821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 17 TYR QE 75 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= 279, 284,
igr2=1188,1189,1190,
&end
#
# 115 VAL QG2 17 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=1847,1848,1849,
igr2= 279, 284,
&end
#
# 12 TYR QE 117 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 189, 194,
igr2=1876,1877,1878,
&end
#
# 12 TYR QD 117 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 187, 196,
igr2=1876,1877,1878,
&end
#
# 7 LEU QD2 3 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 107, 108, 109,
&end
#
# 7 LEU QD2 3 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 48, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 107, 108, 109,
&end
#
# 75 VAL QG2 17 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1192,1193,1194,
&end
#
# 75 VAL QG1 17 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=1188,1189,1190,
igr2= 279, 284,
&end
#
# 165 ILE QD1 114 TRP HZ2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2586,2587,2588,
&end
#
# 46 SER H 45 LEU HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 714, 697, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 VAL H 46 SER H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1064, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 VAL H 46 SER HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 725, 716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 48 GLU H 47 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 741, 727, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 45 LEU HA 69 PHE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 697,1082, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 49 TRP HA 65 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 758,1010, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 47 VAL HA 67 LEU HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 727,1047, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 VAL H 64 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1008, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 66 TYR HA 22 PHE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1026, 352, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 67 LEU H 21 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1045, 334, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 TYR HA 65 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 989,1008, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 VAL H 46 SER H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1064, 714, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 TYR HA 24 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 391, 392,
&end
#
# 65 VAL H 23 LEU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1008, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 68 VAL HA 20 LYS HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1066, 314, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 PHE H 68 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1080,1066, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 GLY H 23 LEU HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 389, 372, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 23 LEU HA 111 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= 372,1766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 22 PHE H 112 ILE H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 350,1780, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 109 VAL H 97 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1731,1513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 GLN H 24 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1747, 389, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 111 VAL H 95 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1764,1471, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 GLN HA 96 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1749,1494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 PHE H 96 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1513,1494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 TYR H 95 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1492,1473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 110 GLN H 109 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1747,1733, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 113 PRO HA 21 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1809, 336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 83 SER H 96 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1309,1492, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 ASP H 84 HIS HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1337,1322, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 ASP H 94 GLU H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1337,1456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 ASP H 95 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1337,1473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 79 LEU QD1 95 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=1261,1262,1263,
igr2=1481,1486,
&end
#
# 109 VAL QG2 111 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1741,1742,1743,
igr2=1770,1771,1772,
&end
#
# 52 LYS H 49 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 801, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 65 VAL QG2 49 TRP HD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1018,1019,1020,
&end
#
# 47 VAL QG1 49 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 731, 732, 733,
&end
#
# 69 PHE QD 78 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1088,1096,
igr2=1242,1243,1244,
&end
#
# 69 PHE QE 78 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1090,1094,
igr2=1242,1243,1244,
&end
#
# 120 ASN HA 146 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2316,2317,2318,
&end
#
# 120 ASN H 146 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2316,2317,2318,
&end
#
# 120 ASN HA 121 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1907,1919, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 120 ASN HA 164 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2568,2569,
&end
#
# 121 PHE H 163 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1919,2556, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 121 PHE H 162 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2545,2550,
&end
#
# 121 PHE H 146 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2316,2317,2318,
&end
#
# 121 PHE QD 150 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1927,1935,
igr2=2370,2371,2372,
&end
#
# 121 PHE QE 150 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1929,1933,
igr2=2370,2371,2372,
&end
#
# 121 PHE QD 146 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1927,1935,
igr2=2316,2317,2318,
&end
#
# 121 PHE QE 146 ALA QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1929,1933,
igr2=2316,2317,2318,
&end
#
# 122 VAL QG1 163 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1945,1946,1947,
&end
#
# 129 LEU QD1 162 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=2065,2066,2067,
igr2=2543,2552,
&end
#
# 129 LEU QD1 164 GLY H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2065,2066,2067,
&end
#
# 129 LEU QD1 163 ALA H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2065,2066,2067,
&end
#
# 170 HIS HE1 68 VAL QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2661, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1074,1075,1076,
&end
#
# 71 LEU QD1 170 HIS HD2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1124,1125,1126,
&end
#
# 114 TRP HE1 167 THR QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2610,2611,2612,
&end
#
# 114 TRP HD1 167 THR QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2610,2611,2612,
&end
#
# 114 TRP HE1 118 ASP H 5.5
&rst
ixpk= 0, nxpk= 0, iat=1823,1882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 TRP HE1 119 SER H 5.5
&rst
ixpk= 0, nxpk= 0, iat=1823,1894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 TRP HE1 120 ASN H 5.5
&rst
ixpk= 0, nxpk= 0, iat=1823,1905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 169 LYS QD 170 HIS HE1 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=2640,2641,
&end
#
# 169 LYS QG 170 HIS HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2654, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2637,2638,
&end
#
# 169 LYS QB 168 ASP QB 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2634,2635,
igr2=2622,2623,
&end
#
# 169 LYS QG 169 LYS QE 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2637,2638,
igr2=2643,2644,
&end
#
# 169 LYS QE 71 LEU QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2643,2644,
igr2=1124,1125,1126,
&end
#
# 169 LYS QE 170 HIS H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2652, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2643,2644,
&end
#
# 169 LYS QE 170 HIS HD2 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2665, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2643,2644,
&end
#
# 169 LYS QB 170 HIS H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2652, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2634,2635,
&end
#
# 169 LYS QD 170 HIS H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2652, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2640,2641,
&end
#
# 169 LYS QG 170 HIS H 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2652, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2637,2638,
&end
#
# 169 LYS QD 71 LEU QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2640,2641,
igr2=1124,1125,1126,
&end
#
# 169 LYS QE 170 HIS HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2643,2644,
&end
#
# 170 HIS H 167 THR QG2 5.5
&rst
ixpk= 0, nxpk= 0, iat=2652, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2610,2611,2612,
&end
#
# 170 HIS H 167 THR HB 5.5
&rst
ixpk= 0, nxpk= 0, iat=2652,2608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 170 HIS H 68 VAL QG1 5.5
&rst
ixpk= 0, nxpk= 0, iat=2652, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1070,1071,1072,
&end
#
# 170 HIS HD2 68 VAL QG1 4.5
&rst
ixpk= 0, nxpk= 0, iat=2665, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1070,1071,1072,
&end
#
# 170 HIS HD2 170 HIS H 4.5
&rst
ixpk= 0, nxpk= 0, iat=2665,2652, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 210 ASP H 136 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3315,2166, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 205 LYS H 198 ILE H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3219,3094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 179 VAL H 135 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2794,2150, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 178 ARG H 164 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2770,2566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 177 GLY H 137 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2763,2186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 176 SER H 166 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2752,2592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 180 THR H 162 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2810,2535, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 208 GLN H 138 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3279,2202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 198 ILE H 205 LYS H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3094,3219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 139 ALA H 138 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2209, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2204,2205,
&end
#
# 207 VAL HA 208 GLN H 5.0
&rst
ixpk= 0, nxpk= 0, iat=3265,3279, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 136 PHE H 135 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2166,2152, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 VAL H 136 PHE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2186,2168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 176 SER HA 177 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2754,2763, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 178 ARG HA 179 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2772,2794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 179 VAL HA 180 THR H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2796,2810, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 165 ILE H 164 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2568,2569,
&end
#
# 165 ILE HA 177 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2575, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2765,2766,
&end
#
# 163 ALA HA 179 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2558,2796, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 176 SER HA 138 GLY QA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2754, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2204,2205,
&end
#
# 178 ARG HA 136 PHE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2772,2168, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 137 VAL HA 209 ILE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2188,3298, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 166 ASP H 165 ILE HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2592,2575, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 164 GLY H 163 ALA HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2566,2558, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 163 ALA H 162 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2556,2537, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 181 PHE QE 153 LEU QD2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2834,2838,
igr2=2418,2419,2420,
&end
#
# 181 PHE HZ 153 LEU QD2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2418,2419,2420,
&end
#
# 173 PRO HG2 114 TRP HZ3 5.5
&rst
ixpk= 0, nxpk= 0, iat=2716,1830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 PRO HG3 114 TRP HZ3 5.5
&rst
ixpk= 0, nxpk= 0, iat=2717,1830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 173 PRO HG3 167 THR QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2717, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2610,2611,2612,
&end
#
# 173 PRO HG3 167 THR QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2717, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2610,2611,2612,
&end
#
# 60 PRO QD 49 TRP HD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 931, 932,
&end
#
# 174 ILE QG2 172 TYR QB 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2732,2733,2734,
igr2=2695,2696,
&end
#
# 174 ILE QG2 143 MET HG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2269, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2732,2733,2734,
&end
#
# 174 ILE QG2 143 MET HG3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2732,2733,2734,
&end
#
# 165 ILE QG2 173 PRO HG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2579,2580,2581,
&end
#
# 165 ILE QG2 173 PRO HG3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2717, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2579,2580,2581,
&end
#
# 143 MET HG2 141 HIS HD2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2269,2251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 143 MET HG2 141 HIS HD2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2269,2251, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 203 PHE QD 141 HIS HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3193,3201,
&end
#
# 112 ILE QG1 143 MET QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1790,1791,
igr2=2273,2274,2275,
&end
#
# 112 ILE QD1 143 MET QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1793,1794,1795,
igr2=2273,2274,2275,
&end
#
# 114 TRP HE1 167 THR QG2 4.0
&rst
ixpk= 0, nxpk= 0, iat=1823, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2610,2611,2612,
&end
#
# 176 SER HA 175 GLY QA 4.0
&rst
ixpk= 0, nxpk= 0, iat=2754, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2747,2748,
&end
#
# 180 THR QG2 129 LEU QD1 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2816,2817,2818,
igr2=2065,2066,2067,
&end
#
# 180 THR QG2 129 LEU QD2 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2816,2817,2818,
igr2=2069,2070,2071,
&end
#
# 123 ARG H 161 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2525,2526,2527,
&end
#
# 123 ARG H 161 VAL QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2529,2530,2531,
&end
#
# 162 TYR HA 122 VAL HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=2537,1941, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 TRP HD1 104 MET QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1653,1654,1655,
&end
#
# 28 TRP HE1 104 MET QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1653,1654,1655,
&end
#
# 104 MET QE 30 ILE QD1 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1653,1654,1655,
igr2= 482, 483, 484,
&end
#
# 140 LEU QD1 176 SER H 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2752, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2228,2229,2230,
&end
#
# 140 LEU QD1 207 VAL QG1 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2228,2229,2230,
igr2=3269,3270,3271,
&end
#
# 140 LEU QD2 207 VAL QG1 4.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=2232,2233,2234,
igr2=3269,3270,3271,
&end
#
# 157 PHE QE 181 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=2479,2483,
igr2=2832,2840,
&end
#
# 157 PHE QE 181 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=2479,2483,
igr2=2834,2838,
&end
#
# 135 VAL QG1 187 TYR QD 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2156,2157,2158,
igr2=2932,2941,
&end
#
# 135 VAL QG1 187 TYR QE 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2156,2157,2158,
igr2=2934,2939,
&end
#
# 133 ARG QD 187 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=2122,2123,
igr2=2932,2941,
&end
#
# 123 ARG HB3 121 PHE QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1929,1933,
&end
#
# 123 ARG HB3 160 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2509,2510,2511,
&end
#
# 123 ARG HB2 121 PHE QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1929,1933,
&end
#
# 123 ARG HB2 160 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat=1959, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2509,2510,2511,
&end
#
# 64 TYR QD 65 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 995,1004,
&end
#
# 64 TYR QE 65 VAL H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 997,1002,
&end
#
# 52 LYS H 49 TRP HD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 801, 764, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 LYS H 49 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= 801, 766, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 LYS H 51 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 801, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 52 LYS H 53 ASP H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 801, 823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 63 GLY H 64 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS H 64 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 958, 987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 62 LYS QG 64 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 965, 966,
&end
#
# 26 VAL QG2 64 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 413, 414, 415,
&end
#
# 26 VAL QG2 63 GLY H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 413, 414, 415,
&end
#
# 32 GLU H 49 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 502, 771, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 32 GLU QG 49 TRP HZ3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 509, 510,
&end
#
# 29 ASP H 28 TRP HZ3 5.0
&rst
ixpk= 0, nxpk= 0, iat= 457, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP H 28 TRP HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= 457, 437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 29 ASP H 28 TRP HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat= 457, 438, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 ARG QD 31 THR QG2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 905, 906,
igr2= 494, 495, 496,
&end
#
# 31 THR QG2 58 ARG H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 494, 495, 496,
&end
#
# 31 THR QG2 58 ARG QG 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 494, 495, 496,
igr2= 902, 903,
&end
#
# 64 TYR QE 66 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= 997,1002,
igr2=1034,1039,
&end
#
# 22 PHE QD 66 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= 358, 366,
igr2=1032,1041,
&end
#
# 84 HIS HD2 86 PRO HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=1333,1359, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 84 HIS HD2 86 PRO QB 5.0
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1356,1357,
&end
#
# 84 HIS HD2 86 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1350,1351,
&end
#
# 84 HIS HE1 95 TYR QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1479,1488,
&end
#
# 84 HIS HE1 95 TYR QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1481,1486,
&end
#
# 84 HIS HE1 87 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1372,1373,1374,
&end
#
# 84 HIS HE1 93 SER HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat=1329,1449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 93 SER HB2 95 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=1449, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1479,1488,
&end
#
# 93 SER HB3 95 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1479,1488,
&end
#
# 87 LEU QD1 93 SER HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1372,1373,1374,
&end
#
# 87 LEU QD1 93 SER HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1372,1373,1374,
&end
#
# 103 ARG QG 28 TRP HZ3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1625,1626,
&end
#
# 103 ARG QG 28 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1625,1626,
&end
#
# 100 SER H 28 TRP HH2 5.0
&rst
ixpk= 0, nxpk= 0, iat=1572, 448, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 ASP HB2 86 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1350,1351,
&end
#
# 85 ASP HB3 86 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1350,1351,
&end
#
# 10 ARG HB2 12 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 189, 194,
&end
#
# 10 ARG HB3 12 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 189, 194,
&end
#
# 10 ARG H 12 TYR H 5.0
&rst
ixpk= 0, nxpk= 0, iat= 141, 179, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 178 ARG HE 212 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=2783, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3351,3356,
&end
#
# 76 ARG HE 17 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 279, 284,
&end
#
# 76 ARG QD 17 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=1208,1209,
igr2= 279, 284,
&end
#
# 94 GLU HB2 96 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1502,1507,
&end
#
# 94 GLU HB3 96 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1502,1507,
&end
#
# 203 PHE QD 10 ARG HE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3193,3201,
&end
#
# 10 ARG HE 203 PHE QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3195,3199,
&end
#
# 203 PHE QD 141 HIS HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2247, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=3193,3201,
&end
#
# 129 LEU QD1 161 VAL QG1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2065,2066,2067,
igr2=2525,2526,2527,
&end
#
# 129 LEU QD1 161 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=2065,2066,2067,
igr2=2529,2530,2531,
&end
#
# 122 VAL QG2 125 PRO HA 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1949,1950,1951,
&end
#
# 122 VAL QG1 124 SER QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1945,1946,1947,
igr2=1983,1984,
&end
#
# 122 VAL QG2 124 SER QB 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1949,1950,1951,
igr2=1983,1984,
&end
#
# 161 VAL QG1 182 ASN HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2525,2526,2527,
&end
#
# 161 VAL QG1 182 ASN HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2525,2526,2527,
&end
#
# 161 VAL QG2 182 ASN HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2848, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2529,2530,2531,
&end
#
# 161 VAL QG2 182 ASN HB3 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2529,2530,2531,
&end
#
# 182 ASN HB2 130 ASP HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat=2848,2079, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 161 VAL H 182 ASN H 5.0
&rst
ixpk= 0, nxpk= 0, iat=2519,2844, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 ARG QB 129 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2036,2037,
igr2=2065,2066,2067,
&end
#
# 128 ARG QB 129 LEU HB2 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2036,2037,
&end
#
# 128 ARG QB 129 LEU HB3 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2036,2037,
&end
#
# 87 LEU QD1 89 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=1372,1373,1374,
igr2=1394,1395,
&end
#
# 87 LEU QD1 89 PRO QB 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1372,1373,1374,
igr2=1400,1401,
&end
#
# 87 LEU QD1 89 PRO QG 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1372,1373,1374,
igr2=1397,1398,
&end
#
# 48 GLU HB2 66 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1032,1041,
&end
#
# 48 GLU HB3 66 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1032,1041,
&end
#
# 85 ASP HB2 86 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=1341, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1350,1351,
&end
#
# 85 ASP HB3 86 PRO QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1350,1351,
&end
#
# 64 TYR QD 62 LYS QG 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 995,1004,
igr2= 965, 966,
&end
#
# 64 TYR QD 62 LYS QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 995,1004,
igr2= 968, 969,
&end
#
# 24 GLY QA 64 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= 391, 392,
igr2= 995,1004,
&end
#
# 36 VAL H 32 GLU O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 553, 515, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 37 ASN H 33 ALA O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 569, 525, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 38 THR H 34 GLY O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 583, 532, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 39 PHE H 35 LEU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 597, 551, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 36 VAL N 32 GLU O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 552, 515, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 37 ASN N 33 ALA O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 568, 525, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 38 THR N 34 GLY O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 582, 532, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 39 PHE N 35 LEU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat= 596, 551, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 76 ARG H 72 GLU O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1198,1147, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 77 SER H 73 LYS O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1222,1169, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 78 LEU H 74 SER O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1233,1180, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 79 LEU H 75 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1252,1196, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 80 GLN H 76 ARG O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1271,1220, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 81 ALA H 77 SER O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1288,1231, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 82 CYS H 78 LEU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1298,1250, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 76 ARG N 72 GLU O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1197,1147, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 77 SER N 73 LYS O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1221,1169, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 78 LEU N 74 SER O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1232,1180, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 79 LEU N 75 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1251,1196, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 80 GLN N 76 ARG O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1270,1220, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 81 ALA N 77 SER O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1287,1231, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 82 CYS N 78 LEU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1297,1250, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 21 VAL H 67 LEU O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 334,1062, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 67 LEU H 21 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1045, 348, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 23 LEU H 65 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 370,1022, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 65 VAL H 23 LEU O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1008, 387, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 22 PHE H 112 ILE O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 350,1797, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 112 ILE H 22 PHE O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1780, 368, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 24 GLY H 110 GLN O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 389,1762, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 110 GLN H 24 GLY O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1747, 394, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 109 VAL H 97 PHE O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1731,1531, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 97 PHE H 109 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1513,1745, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 111 VAL H 95 TYR O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1764,1490, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 95 TYR H 111 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1471,1778, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 68 VAL H 46 SER O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1064, 723, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 46 SER H 68 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 714,1078, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 48 GLU H 66 TYR O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 741,1043, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 66 TYR H 48 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1024, 754, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 67 LEU N 21 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1044, 348, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 23 LEU N 65 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 369,1022, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 65 VAL N 23 LEU O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1007, 387, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 22 PHE N 112 ILE O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 349,1797, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 112 ILE N 22 PHE O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1779, 368, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 24 GLY N 110 GLN O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 388,1762, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 110 GLN N 24 GLY O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1746, 394, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 109 VAL N 97 PHE O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1730,1531, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 97 PHE N 109 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1512,1745, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 111 VAL N 95 TYR O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1763,1490, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 95 TYR N 111 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1470,1778, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 68 VAL N 46 SER O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1063, 723, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 46 SER N 68 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 713,1078, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 48 GLU N 66 TYR O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 740,1043, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 66 TYR N 48 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1023, 754, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 83 SER H 96 TYR O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1309,1511, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 96 TYR H 83 SER O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1492,1318, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 83 SER N 96 TYR O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1308,1511, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 96 TYR N 83 SER O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1491,1318, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 94 GLU H 85 ASP O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1456,1347, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 85 ASP H 94 GLU O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1337,1469, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 94 GLU N 85 ASP O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1455,1347, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 85 ASP N 94 GLU O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1336,1469, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 163 ALA H 121 PHE O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2556,1937, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 121 PHE H 163 ALA O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=1919,2564, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 121 PHE N 163 ALA O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1918,2564, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 163 ALA N 121 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=2555,1937, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 149 LEU H 145 ASN O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2347,2310, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 150 ALA H 146 ALA O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2366,2320, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 151 ALA H 147 GLU O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2376,2335, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 152 ILE H 148 ALA O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2386,2345, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 153 LEU H 149 LEU O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2405,2364, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 154 ASN H 150 ALA O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2424,2374, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 155 ASP H 151 ALA O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2438,2384, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 156 LEU H 152 ILE O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=2450,2403, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 149 LEU N 145 ASN O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2346,2310, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 150 ALA N 146 ALA O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2365,2320, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 151 ALA N 147 GLU O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2375,2335, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 152 ILE N 148 ALA O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2385,2345, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 153 LEU N 149 LEU O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2404,2364, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 154 ASN N 150 ALA O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2423,2374, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 155 ASP N 151 ALA O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2437,2384, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 156 LEU N 152 ILE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=2449,2403, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 189 LYS H 185 ARG O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2964,2911, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 190 ALA H 186 SER O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2986,2922, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 191 VAL H 187 TYR O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2996,2943, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 192 SER H 188 LEU O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=3012,2962, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 193 ALA H 189 LYS O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=3023,2984, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 194 ALA H 190 ALA O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=3033,2994, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 189 LYS N 185 ARG O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2963,2911, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 190 ALA N 186 SER O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2985,2922, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 191 VAL N 187 TYR O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2995,2943, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 192 SER N 188 LEU O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=3011,2962, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 193 ALA N 189 LYS O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=3022,2984, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 194 ALA N 190 ALA O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=3032,2994, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 136 PHE H 210 ASP O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2166,3325, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 210 ASP H 136 PHE O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=3315,2184, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 135 VAL H 179 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2150,2808, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 179 VAL H 135 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2794,2164, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 162 TYR H 180 THR O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2535,2822, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 180 THR H 162 TYR O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2810,2554, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 164 GLY H 178 ARG O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2566,2792, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 178 ARG H 164 GLY O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2770,2571, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 177 GLY H 137 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2763,2200, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 137 VAL H 177 GLY O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2186,2768, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 138 GLY H 208 GLN O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2202,3294, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 208 GLN H 138 GLY O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=3279,2207, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 198 ILE H 205 LYS O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=3094,3239, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 205 LYS H 198 ILE O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=3219,3111, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 207 VAL H 196 VAL O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=3263,3077, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 196 VAL H 207 VAL O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat=3063,3277, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 136 PHE N 210 ASP O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2165,3325, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 210 ASP N 136 PHE O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=3314,2184, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 135 VAL N 179 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2149,2808, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 179 VAL N 135 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2793,2164, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 162 TYR N 180 THR O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2534,2822, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 180 THR N 162 TYR O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2809,2554, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 164 GLY N 178 ARG O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2565,2792, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 178 ARG N 164 GLY O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2769,2571, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 177 GLY N 137 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2762,2200, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 137 VAL N 177 GLY O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2185,2768, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 138 GLY N 208 GLN O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2201,3294, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 208 GLN N 138 GLY O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=3278,2207, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 198 ILE N 205 LYS O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=3093,3239, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 205 LYS N 198 ILE O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=3218,3111, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 207 VAL N 196 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=3262,3077, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 196 VAL N 207 VAL O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=3062,3277, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 43 GLY H 40 ARG O 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 677, 639, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 43 GLY N 40 ARG O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 676, 639, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 166 ASP H 176 SER O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2592,2761, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 166 ASP N 176 SER O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=2591,2761, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 165 ILE H 119 SER O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=2573,1903, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 165 ILE N 119 SER O 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=2572,1903, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 114 TRP H 20 LYS O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1813, 332, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 114 TRP N 20 LYS O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat=1812, 332, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 18 SER H 114 TRP O 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat= 290,1835, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 18 SER N 114 TRP O 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 289,1835, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 114 TRP HE1 119 SER OG 1.8
2.4
&rst
ixpk= 0, nxpk= 0, iat=1823,1900, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 114 TRP NE1 119 SER OG 2.4 3.4
&rst
ixpk= 0, nxpk= 0, iat=1822,1900, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
# 3 TRP HE1 155 ASP OD1 1.8 2.4
&rst
ixpk= 0, nxpk= 0, iat= 45,2445, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 3 TRP NE1 155 ASP OD1 2.4
3.4
&rst
ixpk= 0, nxpk= 0, iat= 44,2445, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90, &end
#
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