NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
579379 |
2mkk   |
19778 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 28 TRP HA 28 TRP HE1 5.95
&rst
ixpk= 0, nxpk= 0, iat= 435, 443, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 165 ILE HB 166 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=2577,2592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 165 ILE H 166 ASP H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2573,2592, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 166 ASP H 167 THR QG2 5.31
&rst
ixpk= 0, nxpk= 0, iat=2592, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2610,2611,2612,
&end
#
# 206 LYS H 207 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=3241, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3269,3270,3271,
&end
#
# 206 LYS H 207 VAL HA 6
&rst
ixpk= 0, nxpk= 0, iat=3241,3265, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 150 ALA H 163 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=2366,2556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 121 PHE H 163 ALA H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1919,2556, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 122 VAL H 163 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=1939,2556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 TYR QD 163 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=2543,2552,
&end
#
# 162 TYR QE 163 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2545,2550,
&end
#
# 121 PHE QB 163 ALA H 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1923,1924,
&end
#
# 199 LYS H 200 THR H 5.52
&rst
ixpk= 0, nxpk= 0, iat=3113,3135, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 3 TRP HZ3 199 LYS H 5.99
&rst
ixpk= 0, nxpk= 0, iat= 52,3113, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 197 GLU H 198 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat=3079, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3107,3108,3109,
&end
#
# 196 VAL HB 197 GLU H 4.95
&rst
ixpk= 0, nxpk= 0, iat=3067,3079, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 2 THR QG2 197 GLU H 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,3079, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 27, 28, 29,
&end
#
# 16 ILE H 17 TYR H 5.58
&rst
ixpk= 0, nxpk= 0, iat= 250, 269, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 3 TRP H 3 TRP HE3 6
&rst
ixpk= 0, nxpk= 0, iat= 35, 54, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 TRP H 198 ILE HA 5.95
&rst
ixpk= 0, nxpk= 0, iat= 35,3096, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 199 LYS HB2 205 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=3117,3219, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 198 ILE H 205 LYS H 4.41
&rst
ixpk= 0, nxpk= 0, iat=3094,3219, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 17 TYR H 17 TYR QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 277, 286,
&end
#
# 3 TRP H 196 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3069,3070,3071,
&end
#
# 26 VAL QG1 110 GLN H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 409, 410, 411,
&end
#
# 96 TYR QD 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=1500,1509,
&end
#
# 72 GLU H 74 SER H 5.72
&rst
ixpk= 0, nxpk= 0, iat=1134,1171, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 52 LYS H 53 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat= 801, 823, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 71 LEU QD2 72 GLU H 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1128,1129,1130,
&end
#
# 123 ARG H 160 VAL QG1 5.43
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2509,2510,2511,
&end
#
# 123 ARG H 123 ARG HG3 5.51
&rst
ixpk= 0, nxpk= 0, iat=1955,1963, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 123 ARG H 124 SER QB 5.49
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1983,1984,
&end
#
# 96 TYR H 97 PHE H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1492,1513, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 96 TYR QD 97 PHE H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1500,1509,
&end
#
# 181 PHE H 181 PHE QD 4.8
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2832,2840,
&end
#
# 181 PHE H 187 TYR QD 5.87
&rst
ixpk= 0, nxpk= 0, iat=2824, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=2932,2941,
&end
#
# 115 VAL H 116 LEU H 5.77
&rst
ixpk= 0, nxpk= 0, iat=1837,1853, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 116 LEU H 117 ALA QB 5.1
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1876,1877,1878,
&end
#
# 209 ILE H 210 ASP H 5.59
&rst
ixpk= 0, nxpk= 0, iat=3296,3315, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, &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
#
# 115 VAL QG1 116 LEU H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1853, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1843,1844,1845,
&end
#
# 97 PHE H 109 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1513,1731, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 108 GLU H 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=1716,1731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 28 TRP HH2 109 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= 448,1731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 35 LEU H 35 LEU QD1 5.44
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2= 543, 544, 545,
&end
#
# 130 ASP H 130 ASP HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat=2075,2080, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 CYS H 19 CYS QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 305, 306,
&end
#
# 35 LEU H 36 VAL H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 534, 553, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 35 LEU H 37 ASN H 5.51
&rst
ixpk= 0, nxpk= 0, iat= 534, 569, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 34 GLY H 35 LEU H 4.44
&rst
ixpk= 0, nxpk= 0, iat= 527, 534, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 193 ALA H 194 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=3037,3038,3039,
&end
#
# 163 ALA QB 180 THR H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2560,2561,2562,
&end
#
# 162 TYR QD 180 THR H 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2543,2552,
&end
#
# 193 ALA H 195 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat=3023,3043, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 192 SER HB3 193 ALA H 4.47
&rst
ixpk= 0, nxpk= 0, iat=3017,3023, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 136 PHE H 210 ASP H 4.91
&rst
ixpk= 0, nxpk= 0, iat=2166,3315, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 134 THR QG2 136 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2142,2143,2144,
&end
#
# 162 TYR H 180 THR H 5.12
&rst
ixpk= 0, nxpk= 0, iat=2535,2810, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 160 VAL QG1 180 THR H 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2509,2510,2511,
&end
#
# 45 LEU H 71 LEU QD2 4.74
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1128,1129,1130,
&end
#
# 188 LEU H 190 ALA H 5.55
&rst
ixpk= 0, nxpk= 0, iat=2945,2986, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 190 ALA H 192 SER H 5.91
&rst
ixpk= 0, nxpk= 0, iat=2986,3012, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 157 PHE QD 190 ALA H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2986, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2477,2485,
&end
#
# 208 GLN H 208 GLN HE21 5.79
&rst
ixpk= 0, nxpk= 0, iat=3279,3292, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 46 SER QB 48 GLU H 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 718, 719,
&end
#
# 138 GLY H 208 GLN H 4.38
&rst
ixpk= 0, nxpk= 0, iat=2202,3279, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 161 VAL H 162 TYR H 4.47
&rst
ixpk= 0, nxpk= 0, iat=2519,2535, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 162 TYR H 162 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2543,2552,
&end
#
# 162 TYR H 180 THR HB 5.54
&rst
ixpk= 0, nxpk= 0, iat=2535,2814, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 120 ASN QB 165 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2573, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1909,1910,
&end
#
# 149 LEU QD1 165 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2573, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2356,2357,2358,
&end
#
# 207 VAL QG1 208 GLN H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,3279, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=3269,3270,3271,
&end
#
# 29 ASP H 30 ILE H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 457, 469, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 85 ASP H 95 TYR H 5.74
&rst
ixpk= 0, nxpk= 0, iat=1337,1471, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &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
#
# 128 ARG H 129 LEU HA 6
&rst
ixpk= 0, nxpk= 0, iat=2032,2058, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 GLU H 65 VAL HB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 502,1012, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 10 ARG H 11 ASN H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 141, 165, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 10 ARG H 11 ASN HD21 5.36
&rst
ixpk= 0, nxpk= 0, iat= 141, 175, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 171 LYS H 172 TYR H 4.1
&rst
ixpk= 0, nxpk= 0, iat=2669,2691, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 170 HIS H 172 TYR H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2652,2691, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 121 PHE H 162 TYR QD 5.28
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2543,2552,
&end
#
# 121 PHE H 162 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2545,2550,
&end
#
# 155 ASP H 156 LEU H 4.5
&rst
ixpk= 0, nxpk= 0, iat=2438,2450, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 ASN H 11 ASN HD21 6
&rst
ixpk= 0, nxpk= 0, iat= 165, 175, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 168 ASP H 174 ILE H 6
&rst
ixpk= 0, nxpk= 0, iat=2618,2726, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 99 MET H 107 LYS QB 5.9
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1698,1699,
&end
#
# 146 ALA H 148 ALA H 5.37
&rst
ixpk= 0, nxpk= 0, iat=2312,2337, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 11 ASN HB2 12 TYR H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 169, 179, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &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
#
# 28 TRP H 28 TRP HE1 5.96
&rst
ixpk= 0, nxpk= 0, iat= 433, 443, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46, &end
#
# 154 ASN H 156 LEU H 5.9
&rst
ixpk= 0, nxpk= 0, iat=2424,2450, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 187 TYR QD 189 LYS H 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2964, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2932,2941,
&end
#
# 28 TRP H 29 ASP H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 433, 457, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 16 ILE H 16 ILE HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 250, 254, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 16 ILE H 115 VAL QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1843,1844,1845,
&end
#
# 185 ARG H 186 SER H 4.15
&rst
ixpk= 0, nxpk= 0, iat=2889,2913, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 189 LYS H 193 ALA QB 5.67
&rst
ixpk= 0, nxpk= 0, iat=2964, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=3027,3028,3029,
&end
#
# 157 PHE 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=2477,2485,
&end
#
# 188 LEU H 189 LYS H 4.59
&rst
ixpk= 0, nxpk= 0, iat=2945,2964, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 16 ILE H 17 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 277, 286,
&end
#
# 39 PHE H 40 ARG H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 597, 617, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 38 THR H 40 ARG H 5.43
&rst
ixpk= 0, nxpk= 0, iat= 583, 617, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 187 TYR H 189 LYS H 5.72
&rst
ixpk= 0, nxpk= 0, iat=2924,2964, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 48 GLU H 67 LEU H 5.52
&rst
ixpk= 0, nxpk= 0, iat= 741,1045, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &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 QG2 40 ARG H 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 563, 564, 565,
&end
#
# 145 ASN H 148 ALA H 5.45
&rst
ixpk= 0, nxpk= 0, iat=2298,2337, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 75 VAL H 77 SER H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1182,1222, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 74 SER H 75 VAL H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1171,1182, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 160 VAL H 181 PHE HZ 6
&rst
ixpk= 0, nxpk= 0, iat=2503,2836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 88 SER HA 92 LEU H 5.83
&rst
ixpk= 0, nxpk= 0, iat=1384,1426, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 75 VAL H 77 SER HB3 6
&rst
ixpk= 0, nxpk= 0, iat=1182,1227, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 170 HIS H 171 LYS H 4.12
&rst
ixpk= 0, nxpk= 0, iat=2652,2669, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 160 VAL H 161 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=2503,2519, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 86 PRO HD2 87 LEU H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1350,1363, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 178 ARG H 179 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=2770,2794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 32 GLU H 33 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 502, 517, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 33 ALA H 35 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= 517, 534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 135 VAL H 179 VAL H 4.69
&rst
ixpk= 0, nxpk= 0, iat=2150,2794, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 164 GLY H 179 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=2566,2794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 178 ARG HB3 179 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat=2775,2794, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 SER H 133 ARG H 4.36
&rst
ixpk= 0, nxpk= 0, iat=2101,2112, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 95 TYR QD 96 TYR H 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1479,1488,
&end
#
# 70 GLU H 71 LEU HB2 5.22
&rst
ixpk= 0, nxpk= 0, iat=1100,1119, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 70 GLU H 71 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1128,1129,1130,
&end
#
# 83 SER H 96 TYR H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1309,1492, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 96 TYR H 96 TYR QD 4.81
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1500,1509,
&end
#
# 83 SER QB 96 TYR H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1313,1314,
&end
#
# 103 ARG H 104 MET H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1618,1642, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 42 PHE H 42 PHE QD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 665, 673,
&end
#
# 146 ALA H 147 GLU H 4.62
&rst
ixpk= 0, nxpk= 0, iat=2312,2322, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 143 MET H 144 LEU QB 5.47
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2283,2284,
&end
#
# 100 SER HB2 101 SER H 5.7
&rst
ixpk= 0, nxpk= 0, iat=1576,1583, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 147 GLU H 150 ALA QB 5.45
&rst
ixpk= 0, nxpk= 0, iat=2322, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=2370,2371,2372,
&end
#
# 143 MET H 144 LEU H 4.08
&rst
ixpk= 0, nxpk= 0, iat=2262,2279, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 144 LEU H 165 ILE HB 5.37
&rst
ixpk= 0, nxpk= 0, iat=2279,2577, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 183 ASN QB 187 TYR H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2924, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=2862,2863,
&end
#
# 186 SER H 188 LEU H 5.43
&rst
ixpk= 0, nxpk= 0, iat=2913,2945, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 186 SER H 187 TYR H 4.66
&rst
ixpk= 0, nxpk= 0, iat=2913,2924, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 181 PHE QD 187 TYR H 5.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2924, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2832,2840,
&end
#
# 187 TYR H 187 TYR QD 5.3
&rst
ixpk= 0, nxpk= 0, iat=2924, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2932,2941,
&end
#
# 181 PHE QB 187 TYR H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2924, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2828,2829,
&end
#
# 187 TYR QD 188 LEU H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2945, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2932,2941,
&end
#
# 187 TYR H 188 LEU H 4.59
&rst
ixpk= 0, nxpk= 0, iat=2924,2945, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 183 ASN QB 186 SER H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2862,2863,
&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
#
# 134 THR H 180 THR HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=2136,2812, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 134 THR H 187 TYR QE 5.51
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=2934,2939,
&end
#
# 1 MET Q 2 THR H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 21, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 2, 3, 4,
&end
#
# 77 SER HB3 79 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=1227,1252, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 120 ASN H 121 PHE H 5.36
&rst
ixpk= 0, nxpk= 0, iat=1905,1919, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 195 PHE QD 196 VAL H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,3063, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=3051,3059,
&end
#
# 196 VAL H 196 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat=3063, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=3069,3070,3071,
&end
#
# 83 SER H 95 TYR QD 5.72
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1479,1488,
&end
#
# 194 ALA H 196 VAL H 5.99
&rst
ixpk= 0, nxpk= 0, iat=3033,3063, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 90 ASP H 92 LEU H 5.6
&rst
ixpk= 0, nxpk= 0, iat=1407,1426, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 72 GLU H 73 LYS H 4.3
&rst
ixpk= 0, nxpk= 0, iat=1134,1149, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 88 SER HB2 90 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=1386,1407, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 202 LYS H 203 PHE H 4.23
&rst
ixpk= 0, nxpk= 0, iat=3163,3185, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 200 THR HB 202 LYS H 5.27
&rst
ixpk= 0, nxpk= 0, iat=3139,3163, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 201 THR H 202 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=3149,3163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 182 ASN H 182 ASN HD21 5.64
&rst
ixpk= 0, nxpk= 0, iat=2844,2854, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 73 LYS H 76 ARG H 5.82
&rst
ixpk= 0, nxpk= 0, iat=1149,1198, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 80 GLN H 82 CYS H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1271,1298, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 202 LYS H 203 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=3163, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3193,3201,
&end
#
# 181 PHE QD 182 ASN H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2844, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2832,2840,
&end
#
# 182 ASN H 183 ASN H 4.16
&rst
ixpk= 0, nxpk= 0, iat=2844,2858, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 116 LEU QD1 118 ASP H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1862,1863,1864,
&end
#
# 88 SER H 92 LEU HB2 5.81
&rst
ixpk= 0, nxpk= 0, iat=1382,1430, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, &end
#
# 88 SER H 92 LEU HB3 6
&rst
ixpk= 0, nxpk= 0, iat=1382,1431, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 203 PHE QD 204 THR H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,3205, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=3193,3201,
&end
#
# 114 TRP HE1 118 ASP H 6
&rst
ixpk= 0, nxpk= 0, iat=1823,1882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 74 SER HA 76 ARG H 5.61
&rst
ixpk= 0, nxpk= 0, iat=1173,1198, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 204 THR H 205 LYS H 5.56
&rst
ixpk= 0, nxpk= 0, iat=3205,3219, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 200 THR H 204 THR H 6
&rst
ixpk= 0, nxpk= 0, iat=3135,3205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 73 LYS H 74 SER H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1149,1171, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 74 SER H 76 ARG H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1171,1198, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 41 VAL H 71 LEU QD2 5.79
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2=1128,1129,1130,
&end
#
# 75 VAL H 76 ARG H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1182,1198, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 76 ARG H 77 SER HB3 5.56
&rst
ixpk= 0, nxpk= 0, iat=1198,1227, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 40 ARG QG 41 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 624, 625,
&end
#
# 40 ARG H 41 VAL H 4.5
&rst
ixpk= 0, nxpk= 0, iat= 617, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 VAL H 37 ASN H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 553, 569, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 88 SER HB2 93 SER H 5.91
&rst
ixpk= 0, nxpk= 0, iat=1386,1445, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 37 ASN H 37 ASN HD22 5.76
&rst
ixpk= 0, nxpk= 0, iat= 569, 578, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 37 ASN H 38 THR HA 5.8
&rst
ixpk= 0, nxpk= 0, iat= 569, 585, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 37 ASN H 39 PHE H 5.4
&rst
ixpk= 0, nxpk= 0, iat= 569, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 153 LEU HA 156 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat=2407,2450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 77 SER H 77 SER HB3 4.22
&rst
ixpk= 0, nxpk= 0, iat=1222,1227, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 156 LEU H 196 VAL QG1 5.81
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr2=3069,3070,3071,
&end
#
# 3 TRP HZ2 156 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= 48,2450, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 76 ARG H 77 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1198,1222, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 99 MET H 100 SER H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1555,1572, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &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
#
# 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
#
# 200 THR H 203 PHE QD 5.72
&rst
ixpk= 0, nxpk= 0, iat=3135, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=3193,3201,
&end
#
# 192 SER H 194 ALA QB 5.83
&rst
ixpk= 0, nxpk= 0, iat=3012, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=3037,3038,3039,
&end
#
# 38 THR H 39 PHE H 4.64
&rst
ixpk= 0, nxpk= 0, iat= 583, 597, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 39 PHE H 39 PHE QD 4.99
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 605, 613,
&end
#
# 39 PHE H 41 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= 597, 641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 36 VAL QG2 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= 563, 564, 565,
&end
#
# 35 LEU HA 38 THR H 5.83
&rst
ixpk= 0, nxpk= 0, iat= 536, 583, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 200 THR H 203 PHE H 4.59
&rst
ixpk= 0, nxpk= 0, iat=3135,3185, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 200 THR H 202 LYS H 5.32
&rst
ixpk= 0, nxpk= 0, iat=3135,3163, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 194 ALA H 207 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=3033, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3269,3270,3271,
&end
#
# 194 ALA H 195 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=3033, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3051,3059,
&end
#
# 192 SER H 194 ALA H 5.2
&rst
ixpk= 0, nxpk= 0, iat=3012,3033, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 193 ALA H 194 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat=3023,3033, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 192 SER HA 194 ALA H 6
&rst
ixpk= 0, nxpk= 0, iat=3014,3033, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 191 VAL H 192 SER H 4.48
&rst
ixpk= 0, nxpk= 0, iat=2996,3012, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 191 VAL H 192 SER HB3 5.57
&rst
ixpk= 0, nxpk= 0, iat=2996,3017, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 191 VAL H 194 ALA QB 5.53
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=3037,3038,3039,
&end
#
# 25 GLY H 26 VAL H 4.36
&rst
ixpk= 0, nxpk= 0, iat= 396, 403, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &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 175 GLY H 4.84
&rst
ixpk= 0, nxpk= 0, iat=2726,2745, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 174 ILE H 176 SER H 5.8
&rst
ixpk= 0, nxpk= 0, iat=2726,2752, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 174 ILE H 174 ILE QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2739,2740,2741,
&end
#
# 9 PRO HB2 11 ASN HD21 5.85
&rst
ixpk= 0, nxpk= 0, iat= 134, 175, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 44 SER H 44 SER HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 684, 688, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 44 SER H 70 GLU H 5.44
&rst
ixpk= 0, nxpk= 0, iat= 684,1100, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 9 PRO HB3 11 ASN HD21 6
&rst
ixpk= 0, nxpk= 0, iat= 135, 175, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 44 SER H 71 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1128,1129,1130,
&end
#
# 175 GLY H 176 SER H 4.24
&rst
ixpk= 0, nxpk= 0, iat=2745,2752, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 166 ASP H 176 SER H 5.53
&rst
ixpk= 0, nxpk= 0, iat=2592,2752, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 183 ASN H 187 TYR HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=2858,2926, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 138 GLY H 208 GLN QB 6
&rst
ixpk= 0, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3283,3284,
&end
#
# 183 ASN H 187 TYR H 5.91
&rst
ixpk= 0, nxpk= 0, iat=2858,2924, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 123 ARG H 124 SER H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1955,1979, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 51 GLY H 53 ASP H 5.62
&rst
ixpk= 0, nxpk= 0, iat= 794, 823, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, &end
#
# 17 TYR QD 18 SER H 5.6
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 277, 286,
&end
#
# 157 PHE QD 158 GLY H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2489, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2477,2485,
&end
#
# 167 THR H 168 ASP H 5.61
&rst
ixpk= 0, nxpk= 0, iat=2604,2618, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 167 THR H 175 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat=2604,2745, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &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
#
# 161 VAL H 182 ASN HD21 6
&rst
ixpk= 0, nxpk= 0, iat=2519,2854, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 42 PHE QD 43 GLY H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 665, 673,
&end
#
# 41 VAL QG2 43 GLY H 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 651, 652, 653,
&end
#
# 24 GLY H 26 VAL QG1 5.98
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2= 409, 410, 411,
&end
#
# 163 ALA H 164 GLY H 5.57
&rst
ixpk= 0, nxpk= 0, iat=2556,2566, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 162 TYR QE 164 GLY H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2545,2550,
&end
#
# 146 ALA QB 164 GLY H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2316,2317,2318,
&end
#
# 34 GLY H 36 VAL H 6
&rst
ixpk= 0, nxpk= 0, iat= 527, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 33 ALA H 34 GLY H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 517, 527, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 31 THR H 34 GLY H 5.36
&rst
ixpk= 0, nxpk= 0, iat= 488, 527, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 34 GLY H 35 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 543, 544, 545,
&end
#
# 159 GLY H 160 VAL H 4.15
&rst
ixpk= 0, nxpk= 0, iat=2496,2503, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 159 GLY H 160 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=2496, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2509,2510,2511,
&end
#
# 198 ILE H 198 ILE QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=3100,3101,3102,
&end
#
# 97 PHE H 111 VAL H 5.51
&rst
ixpk= 0, nxpk= 0, iat=1513,1764, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 111 VAL H 111 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2=1770,1771,1772,
&end
#
# 111 VAL H 111 VAL QG2 5.56
&rst
ixpk= 0, nxpk= 0, iat=1764, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1774,1775,1776,
&end
#
# 114 TRP H 115 VAL H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1813,1837, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 17 TYR HA 115 VAL H 5.7
&rst
ixpk= 0, nxpk= 0, iat= 271,1837, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 206 LYS H 206 LYS QB 4.53
&rst
ixpk= 0, nxpk= 0, iat=3241, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=3245,3246,
&end
#
# 24 GLY H 111 VAL H 5.49
&rst
ixpk= 0, nxpk= 0, iat= 389,1764, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 199 LYS H 205 LYS H 5.71
&rst
ixpk= 0, nxpk= 0, iat=3113,3219, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 196 VAL H 197 GLU H 5.42
&rst
ixpk= 0, nxpk= 0, iat=3063,3079, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 23 LEU H 24 GLY H 5.73
&rst
ixpk= 0, nxpk= 0, iat= 370, 389, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 22 PHE QD 23 LEU H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 358, 366,
&end
#
# 23 LEU H 23 LEU HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 370, 374, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 21 VAL QG1 69 PHE H 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 340, 341, 342,
&end
#
# 23 LEU HA 112 ILE H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 372,1780, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 69 PHE H 71 LEU QQD 5.59
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 68 VAL QG2 69 PHE H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1074,1075,1076,
&end
#
# 111 VAL QG1 112 ILE H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1770,1771,1772,
&end
#
# 111 VAL QG2 112 ILE H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1780, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1774,1775,1776,
&end
#
# 16 ILE HB 17 TYR H 5.54
&rst
ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 210 ASP H 210 ASP HB2 4.71
&rst
ixpk= 0, nxpk= 0, iat=3315,3319, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 209 ILE HB 210 ASP H 5.5
&rst
ixpk= 0, nxpk= 0, iat=3300,3315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 209 ILE QD1 210 ASP H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,3315, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=3309,3310,3311,
&end
#
# 97 PHE H 110 GLN H 5.71
&rst
ixpk= 0, nxpk= 0, iat=1513,1747, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 98 LYS H 108 GLU QB 5.7
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1720,1721,
&end
#
# 198 ILE HB 205 LYS H 5.47
&rst
ixpk= 0, nxpk= 0, iat=3098,3219, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 203 PHE QE 205 LYS H 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=3195,3199,
&end
#
# 17 TYR H 72 GLU HG2 5.99
&rst
ixpk= 0, nxpk= 0, iat= 269,1141, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 17 TYR H 75 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1188,1189,1190,
&end
#
# 16 ILE HG13 17 TYR H 5.7
&rst
ixpk= 0, nxpk= 0, iat= 261, 269, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 17 TYR H 17 TYR QE 5.95
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2= 279, 284,
&end
#
# 137 VAL HA 210 ASP H 5.71
&rst
ixpk= 0, nxpk= 0, iat=2188,3315, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 3 TRP H 3 TRP HD1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 35, 43, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 109 VAL HB 110 GLN H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1735,1747, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 109 VAL QG1 110 GLN H 5.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1747, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1737,1738,1739,
&end
#
# 108 GLU H 108 GLU QB 4.25
&rst
ixpk= 0, nxpk= 0, iat=1716, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1720,1721,
&end
#
# 107 LYS QD 108 GLU H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1704,1705,
&end
#
# 98 LYS HB3 108 GLU H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1538,1716, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 98 LYS H 109 VAL H 5.76
&rst
ixpk= 0, nxpk= 0, iat=1533,1731, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 98 LYS H 99 MET H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1533,1555, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 98 LYS H 98 LYS HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1533,1537, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 98 LYS H 98 LYS HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=1533,1538, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 200 THR H 205 LYS H 5.55
&rst
ixpk= 0, nxpk= 0, iat=3135,3219, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 106 CYS QB 107 LYS H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1694, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1687,1688,
&end
#
# 107 LYS H 107 LYS QD 4.96
&rst
ixpk= 0, nxpk= 0, iat=1694, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1704,1705,
&end
#
# 154 ASN HA 159 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat=2426,2496, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 122 VAL H 150 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2370,2371,2372,
&end
#
# 122 VAL H 122 VAL QG1 4.7
&rst
ixpk= 0, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1945,1946,1947,
&end
#
# 121 PHE QB 122 VAL H 5.7
&rst
ixpk= 0, nxpk= 0, iat= -1,1939, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1923,1924,
&end
#
# 122 VAL H 122 VAL QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1949,1950,1951,
&end
#
# 121 PHE H 122 VAL H 5.22
&rst
ixpk= 0, nxpk= 0, iat=1919,1939, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 22 PHE H 112 ILE QG2 5.77
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1786,1787,1788,
&end
#
# 22 PHE H 112 ILE H 5.45
&rst
ixpk= 0, nxpk= 0, iat= 350,1780, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 71 LEU HB3 72 GLU H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1120,1134, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 71 LEU QQD 72 GLU H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1124,1125,1126,1128,1129,1130,
&end
#
# 129 LEU H 129 LEU QD2 5.79
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2=2069,2070,2071,
&end
#
# 123 ARG H 162 TYR HA 5.56
&rst
ixpk= 0, nxpk= 0, iat=1955,2537, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 123 ARG H 150 ALA QB 5.99
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=2370,2371,2372,
&end
#
# 72 GLU H 73 LYS QE 5.71
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1162,1163,
&end
#
# 51 GLY H 52 LYS H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 123 ARG H 123 ARG HD2 5.83
&rst
ixpk= 0, nxpk= 0, iat=1955,1965, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, &end
#
# 97 PHE H 97 PHE QD 5.71
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1521,1529,
&end
#
# 97 PHE H 98 LYS HA 5.38
&rst
ixpk= 0, nxpk= 0, iat=1513,1535, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 97 PHE H 111 VAL QG1 5.51
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1770,1771,1772,
&end
#
# 97 PHE H 109 VAL QG1 5.66
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1737,1738,1739,
&end
#
# 134 THR HA 181 PHE H 5.48
&rst
ixpk= 0, nxpk= 0, iat=2138,2824, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 207 VAL QG2 209 ILE H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,3296, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=3273,3274,3275,
&end
#
# 192 SER HB2 209 ILE H 5.71
&rst
ixpk= 0, nxpk= 0, iat=3016,3296, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 208 GLN H 209 ILE H 5.82
&rst
ixpk= 0, nxpk= 0, iat=3279,3296, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 78 LEU H 78 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1246,1247,1248,
&end
#
# 7 LEU H 7 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 103, 104, 105,
&end
#
# 84 HIS HB2 85 ASP H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1324,1337, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 76 ARG H 78 LEU H 5.57
&rst
ixpk= 0, nxpk= 0, iat=1198,1233, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 75 VAL HA 78 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1184,1233, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 78 LEU H 78 LEU QD1 5.54
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1242,1243,1244,
&end
#
# 97 PHE QD 109 VAL H 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1521,1529,
&end
#
# 108 GLU QB 109 VAL H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1720,1721,
&end
#
# 109 VAL H 109 VAL HB 4.53
&rst
ixpk= 0, nxpk= 0, iat=1731,1735, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 84 HIS HB3 85 ASP H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1325,1337, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 85 ASP H 96 TYR QD 5.82
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1500,1509,
&end
#
# 35 LEU H 36 VAL HB 5.43
&rst
ixpk= 0, nxpk= 0, iat= 534, 557, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 129 LEU HA 130 ASP H 4.02
&rst
ixpk= 0, nxpk= 0, iat=2058,2075, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 130 ASP H 130 ASP HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat=2075,2079, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 78 LEU H 79 LEU QB 5.51
&rst
ixpk= 0, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1256,1257,
&end
#
# 136 PHE H 210 ASP HB2 5.69
&rst
ixpk= 0, nxpk= 0, iat=2166,3319, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, &end
#
# 99 MET H 109 VAL H 5.74
&rst
ixpk= 0, nxpk= 0, iat=1555,1731, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 26 VAL QG1 109 VAL H 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1731, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 409, 410, 411,
&end
#
# 19 CYS H 75 VAL QG2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1192,1193,1194,
&end
#
# 35 LEU H 65 VAL HB 5.13
&rst
ixpk= 0, nxpk= 0, iat= 534,1012, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 30 ILE QD1 35 LEU H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 482, 483, 484,
&end
#
# 193 ALA H 207 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3269,3270,3271,
&end
#
# 193 ALA H 207 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3273,3274,3275,
&end
#
# 136 PHE H 212 TYR QD 5.46
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=3349,3358,
&end
#
# 136 PHE H 136 PHE QD 5.7
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2174,2182,
&end
#
# 136 PHE H 136 PHE QE 5.72
&rst
ixpk= 0, nxpk= 0, iat=2166, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=2176,2180,
&end
#
# 135 VAL QG1 136 PHE H 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,2166, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2156,2157,2158,
&end
#
# 136 PHE H 212 TYR H 5.63
&rst
ixpk= 0, nxpk= 0, iat=2166,3341, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, &end
#
# 161 VAL QG2 180 THR H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2529,2530,2531,
&end
#
# 180 THR H 180 THR QG2 5.6
&rst
ixpk= 0, nxpk= 0, iat=2810, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2816,2817,2818,
&end
#
# 136 PHE QE 212 TYR H 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,3341, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2176,2180,
&end
#
# 135 VAL QG1 212 TYR H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,3341, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2156,2157,2158,
&end
#
# 135 VAL HA 212 TYR H 5.47
&rst
ixpk= 0, nxpk= 0, iat=2152,3341, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 191 VAL HA 193 ALA H 5.41
&rst
ixpk= 0, nxpk= 0, iat=2998,3023, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 190 ALA H 191 VAL HA 5.79
&rst
ixpk= 0, nxpk= 0, iat=2986,2998, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, &end
#
# 21 VAL H 68 VAL QG2 5.91
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2=1074,1075,1076,
&end
#
# 44 SER H 45 LEU H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 684, 695, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 44 SER HA 45 LEU H 3.89
&rst
ixpk= 0, nxpk= 0, iat= 686, 695, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 44 SER HB2 45 LEU H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 45 LEU H 45 LEU QD2 5.67
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 708, 709, 710,
&end
#
# 44 SER HB3 45 LEU H 4.75
&rst
ixpk= 0, nxpk= 0, iat= 689, 695, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 187 TYR HA 190 ALA H 5.56
&rst
ixpk= 0, nxpk= 0, iat=2926,2986, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, &end
#
# 190 ALA H 191 VAL H 4.55
&rst
ixpk= 0, nxpk= 0, iat=2986,2996, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 47 VAL H 48 GLU H 5.54
&rst
ixpk= 0, nxpk= 0, iat= 725, 741, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 47 VAL QG1 48 GLU H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 731, 732, 733,
&end
#
# 207 VAL QG2 208 GLN H 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,3279, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=3273,3274,3275,
&end
#
# 162 TYR H 163 ALA H 5.44
&rst
ixpk= 0, nxpk= 0, iat=2535,2556, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 160 VAL HA 162 TYR H 5.37
&rst
ixpk= 0, nxpk= 0, iat=2505,2535, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 122 VAL QG1 162 TYR H 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1945,1946,1947,
&end
#
# 160 VAL QG1 162 TYR H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2509,2510,2511,
&end
#
# 120 ASN HA 165 ILE H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1907,2573, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 20 LYS H 68 VAL QG2 5.92
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr2=1074,1075,1076,
&end
#
# 20 LYS H 21 VAL H 5.53
&rst
ixpk= 0, nxpk= 0, iat= 312, 334, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 19 CYS H 20 LYS H 4.9
&rst
ixpk= 0, nxpk= 0, iat= 301, 312, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 20 LYS H 21 VAL QG1 5.69
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr2= 340, 341, 342,
&end
#
# 20 LYS H 75 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1192,1193,1194,
&end
#
# 30 ILE H 30 ILE QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 475, 476, 477,
&end
#
# 3 TRP HE3 4 SER H 5.82
&rst
ixpk= 0, nxpk= 0, iat= 54, 59, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 3 TRP H 4 SER H 5
&rst
ixpk= 0, nxpk= 0, iat= 35, 59, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 46 SER QB 68 VAL H 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 718, 719,
&end
#
# 68 VAL H 68 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1074,1075,1076,
&end
#
# 45 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= 704, 705, 706,
&end
#
# 94 GLU H 95 TYR H 5.3
&rst
ixpk= 0, nxpk= 0, iat=1456,1471, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 4 SER H 4 SER QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 63, 64,
&end
#
# 121 PHE H 122 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1945,1946,1947,
&end
#
# 9 PRO HA 10 ARG H 3.73
&rst
ixpk= 0, nxpk= 0, iat= 137, 141, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 10 ARG HA 11 ASN H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 143, 165, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 11 ASN H 11 ASN HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 93 SER QB 94 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1449,1450,
&end
#
# 155 ASP H 156 LEU QB 5.2
&rst
ixpk= 0, nxpk= 0, iat=2438, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2454,2455,
&end
#
# 154 ASN H 155 ASP H 4.94
&rst
ixpk= 0, nxpk= 0, iat=2424,2438, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 155 ASP H 155 ASP HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat=2438,2442, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 155 ASP H 155 ASP HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat=2438,2443, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 155 ASP H 157 PHE H 5.34
&rst
ixpk= 0, nxpk= 0, iat=2438,2469, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 206 LYS QB 207 VAL H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,3263, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=3245,3246,
&end
#
# 207 VAL H 207 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat=3263, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=3269,3270,3271,
&end
#
# 196 VAL H 207 VAL H 5.37
&rst
ixpk= 0, nxpk= 0, iat=3063,3263, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 151 ALA HA 154 ASN H 4.59
&rst
ixpk= 0, nxpk= 0, iat=2378,2424, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 168 ASP H 174 ILE QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat=2618, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2732,2733,2734,
&end
#
# 99 MET H 99 MET QE 5.37
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1566,1567,1568,
&end
#
# 146 ALA H 148 ALA QB 5.96
&rst
ixpk= 0, nxpk= 0, iat=2312, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr2=2341,2342,2343,
&end
#
# 154 ASN H 155 ASP HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat=2424,2443, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 185 ARG H 187 TYR H 5.08
&rst
ixpk= 0, nxpk= 0, iat=2889,2924, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 189 LYS H 190 ALA H 4.12
&rst
ixpk= 0, nxpk= 0, iat=2964,2986, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 151 ALA H 154 ASN H 5.7
&rst
ixpk= 0, nxpk= 0, iat=2376,2424, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 185 ARG H 185 ARG QG 4.83
&rst
ixpk= 0, nxpk= 0, iat=2889, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2896,2897,
&end
#
# 185 ARG H 185 ARG QB 3.83
&rst
ixpk= 0, nxpk= 0, iat=2889, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2893,2894,
&end
#
# 189 LYS H 189 LYS HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat=2964,2969, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &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
#
# 78 LEU HA 81 ALA H 5.52
&rst
ixpk= 0, nxpk= 0, iat=1235,1288, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 15 PRO HA 16 ILE H 4.07
&rst
ixpk= 0, nxpk= 0, iat= 246, 250, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &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 4.69
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 256, 257, 258,
&end
#
# 35 LEU QD1 36 VAL H 5
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 543, 544, 545,
&end
#
# 48 GLU QB 67 LEU H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 745, 746,
&end
#
# 40 ARG H 40 ARG QB 4.4
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 621, 622,
&end
#
# 189 LYS H 191 VAL QG1 5.65
&rst
ixpk= 0, nxpk= 0, iat=2964, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=3002,3003,3004,
&end
#
# 189 LYS H 191 VAL H 5.66
&rst
ixpk= 0, nxpk= 0, iat=2964,2996, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 80 GLN QB 81 ALA H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1275,1276,
&end
#
# 78 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=1242,1243,1244,
&end
#
# 36 VAL H 36 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 33 ALA HA 36 VAL H 5.48
&rst
ixpk= 0, nxpk= 0, iat= 519, 553, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 40 ARG H 45 LEU QD2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2= 708, 709, 710,
&end
#
# 21 VAL QG1 67 LEU H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 340, 341, 342,
&end
#
# 151 ALA H 151 ALA QB 4.36
&rst
ixpk= 0, nxpk= 0, iat=2376, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2380,2381,2382,
&end
#
# 74 SER HB3 75 VAL H 5.6
&rst
ixpk= 0, nxpk= 0, iat=1176,1182, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 21 VAL H 67 LEU H 5.02
&rst
ixpk= 0, nxpk= 0, iat= 334,1045, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 84 HIS H 96 TYR H 5.68
&rst
ixpk= 0, nxpk= 0, iat=1320,1492, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 160 VAL H 160 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat=2503, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2509,2510,2511,
&end
#
# 90 ASP HB3 92 LEU H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1412,1426, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 91 GLY H 92 LEU H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1419,1426, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 88 SER HB3 92 LEU H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1387,1426, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 92 LEU H 92 LEU HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat=1426,1431, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 92 LEU H 92 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1435,1436,1437,
&end
#
# 90 ASP HB2 92 LEU H 5.53
&rst
ixpk= 0, nxpk= 0, iat=1411,1426, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 73 LYS H 75 VAL H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1149,1182, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 83 SER QB 84 HIS H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1313,1314,
&end
#
# 161 VAL H 182 ASN H 5.34
&rst
ixpk= 0, nxpk= 0, iat=2519,2844, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 83 SER H 84 HIS H 5.76
&rst
ixpk= 0, nxpk= 0, iat=1309,1320, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, &end
#
# 165 ILE QD1 178 ARG H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2770, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2586,2587,2588,
&end
#
# 87 LEU H 94 GLU H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1363,1456, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 87 LEU H 87 LEU HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat=1363,1368, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 47 VAL H 47 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 170 HIS H 171 LYS HA 5.58
&rst
ixpk= 0, nxpk= 0, iat=2652,2671, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 133 ARG H 133 ARG QD 5.24
&rst
ixpk= 0, nxpk= 0, iat=2112, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2122,2123,
&end
#
# 95 TYR QB 96 TYR H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1492, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1475,1476,
&end
#
# 31 THR QG2 33 ALA H 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1= 494, 495, 496,
&end
#
# 3 TRP HZ3 6 GLN H 5.87
&rst
ixpk= 0, nxpk= 0, iat= 52, 77, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, &end
#
# 6 GLN H 7 LEU H 5.15
&rst
ixpk= 0, nxpk= 0, iat= 77, 94, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 5 GLY H 6 GLN H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 70, 77, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 6 GLN H 6 GLN HB3 4.24
&rst
ixpk= 0, nxpk= 0, iat= 77, 82, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 3 TRP HH2 6 GLN H 5.31
&rst
ixpk= 0, nxpk= 0, iat= 50, 77, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 133 ARG H 180 THR HA 5.53
&rst
ixpk= 0, nxpk= 0, iat=2112,2812, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 133 ARG H 134 THR HB 5.61
&rst
ixpk= 0, nxpk= 0, iat=2112,2140, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, &end
#
# 133 ARG H 134 THR HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=2112,2138, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 82 CYS HA 96 TYR H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1300,1492, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 45 LEU HA 70 GLU H 5.55
&rst
ixpk= 0, nxpk= 0, iat= 697,1100, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 103 ARG QG 104 MET H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1642, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1625,1626,
&end
#
# 195 PHE H 196 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat=3043, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3069,3070,3071,
&end
#
# 166 ASP H 178 ARG H 5.49
&rst
ixpk= 0, nxpk= 0, iat=2592,2770, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 194 ALA H 195 PHE H 4.64
&rst
ixpk= 0, nxpk= 0, iat=3033,3043, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 156 LEU QD1 195 PHE H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,3043, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=2459,2460,2461,
&end
#
# 195 PHE H 195 PHE QD 4.68
&rst
ixpk= 0, nxpk= 0, iat=3043, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=3051,3059,
&end
#
# 106 CYS H 107 LYS H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1683,1694, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 106 CYS H 107 LYS QD 5.61
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1704,1705,
&end
#
# 147 GLU H 148 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat=2322,2337, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 146 ALA QB 147 GLU H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2322, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2316,2317,2318,
&end
#
# 41 VAL H 42 PHE H 5.71
&rst
ixpk= 0, nxpk= 0, iat= 641, 657, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 143 MET H 143 MET HG3 4.82
&rst
ixpk= 0, nxpk= 0, iat=2262,2270, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 143 MET H 143 MET HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat=2262,2267, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 106 CYS H 106 CYS QB 4.55
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1687,1688,
&end
#
# 100 SER H 101 SER H 5.39
&rst
ixpk= 0, nxpk= 0, iat=1572,1583, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 152 ILE H 152 ILE QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2392,2393,2394,
&end
#
# 144 LEU H 144 LEU QD2 4.78
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2292,2293,2294,
&end
#
# 143 MET HG3 144 LEU H 5.74
&rst
ixpk= 0, nxpk= 0, iat=2270,2279, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 185 ARG HA 187 TYR H 5.07
&rst
ixpk= 0, nxpk= 0, iat=2891,2924, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 185 ARG QB 186 SER H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=2893,2894,
&end
#
# 188 LEU H 188 LEU HB2 4.4
&rst
ixpk= 0, nxpk= 0, iat=2945,2949, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 188 LEU H 188 LEU QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat=2945, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2954,2955,2956,
&end
#
# 188 LEU H 189 LYS HA 5.54
&rst
ixpk= 0, nxpk= 0, iat=2945,2966, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, &end
#
# 2 THR H 2 THR HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= 21, 25, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 75 VAL HA 79 LEU H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1184,1252, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 120 ASN H 120 ASN QB 4.11
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1909,1910,
&end
#
# 120 ASN H 146 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2316,2317,2318,
&end
#
# 134 THR HB 135 VAL H 5.53
&rst
ixpk= 0, nxpk= 0, iat=2140,2150, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, &end
#
# 195 PHE H 196 VAL H 5.29
&rst
ixpk= 0, nxpk= 0, iat=3043,3063, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 76 ARG HA 79 LEU H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1200,1252, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 79 LEU H 80 GLN H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1252,1271, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 78 LEU QD2 79 LEU H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1246,1247,1248,
&end
#
# 134 THR H 134 THR HB 4.68
&rst
ixpk= 0, nxpk= 0, iat=2136,2140, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 134 THR H 134 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2142,2143,2144,
&end
#
# 134 THR QG2 135 VAL H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=2142,2143,2144,
&end
#
# 82 CYS H 83 SER H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1298,1309, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 196 VAL H 196 VAL HB 4.64
&rst
ixpk= 0, nxpk= 0, iat=3063,3067, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 150 ALA H 160 VAL QG1 5.4
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=2509,2510,2511,
&end
#
# 148 ALA QB 149 LEU H 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1,2347, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2341,2342,2343,
&end
#
# 149 LEU H 150 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2370,2371,2372,
&end
#
# 149 LEU H 165 ILE QD1 5.5
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2586,2587,2588,
&end
#
# 83 SER H 83 SER QB 4.32
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1313,1314,
&end
#
# 150 ALA H 151 ALA H 4.22
&rst
ixpk= 0, nxpk= 0, iat=2366,2376, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 149 LEU QB 150 ALA H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2351,2352,
&end
#
# 150 ALA H 151 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2380,2381,2382,
&end
#
# 149 LEU QD1 150 ALA H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2366, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2356,2357,2358,
&end
#
# 88 SER HB3 90 ASP H 5.2
&rst
ixpk= 0, nxpk= 0, iat=1387,1407, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 90 ASP H 90 ASP HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat=1407,1412, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 145 ASN H 149 LEU H 5.82
&rst
ixpk= 0, nxpk= 0, iat=2298,2347, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, &end
#
# 83 SER H 96 TYR QD 5.95
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=1500,1509,
&end
#
# 79 LEU QB 80 GLN H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1256,1257,
&end
#
# 81 ALA H 82 CYS H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1288,1298, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 80 GLN HA 82 CYS H 5.52
&rst
ixpk= 0, nxpk= 0, iat=1273,1298, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 144 LEU H 145 ASN H 5.39
&rst
ixpk= 0, nxpk= 0, iat=2279,2298, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 144 LEU QB 145 ASN H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2298, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2283,2284,
&end
#
# 144 LEU QD2 145 ASN H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2298, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2292,2293,2294,
&end
#
# 71 LEU H 71 LEU HB2 4.5
&rst
ixpk= 0, nxpk= 0, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 GLN H 80 GLN HG2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1271,1278, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 200 THR HA 202 LYS H 5.41
&rst
ixpk= 0, nxpk= 0, iat=3137,3163, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 200 THR QG2 202 LYS H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,3163, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=3141,3142,3143,
&end
#
# 78 LEU QD2 82 CYS H 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1246,1247,1248,
&end
#
# 71 LEU H 71 LEU HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1115,1120, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 117 ALA QB 118 ASP H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1876,1877,1878,
&end
#
# 88 SER H 90 ASP H 5.2
&rst
ixpk= 0, nxpk= 0, iat=1382,1407, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 88 SER H 92 LEU H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1382,1426, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 87 LEU HA 88 SER H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1365,1382, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 88 SER H 88 SER HB2 4.1
&rst
ixpk= 0, nxpk= 0, iat=1382,1386, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 80 GLN H 81 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1292,1293,1294,
&end
#
# 203 PHE H 204 THR H 4.87
&rst
ixpk= 0, nxpk= 0, iat=3185,3205, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 70 GLU H 71 LEU H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1100,1115, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 71 LEU H 71 LEU QQD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 87 LEU HB2 88 SER H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1367,1382, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 181 PHE H 182 ASN H 5.51
&rst
ixpk= 0, nxpk= 0, iat=2824,2844, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, &end
#
# 203 PHE HA 204 THR H 4.05
&rst
ixpk= 0, nxpk= 0, iat=3187,3205, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 204 THR H 204 THR HB 4.52
&rst
ixpk= 0, nxpk= 0, iat=3205,3209, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 71 LEU HB2 74 SER H 6
&rst
ixpk= 0, nxpk= 0, iat=1119,1171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 71 LEU QQD 74 SER H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1124,1125,1126,1128,1129,1130,
&end
#
# 75 VAL HB 76 ARG H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 26 VAL QG2 64 TYR H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 413, 414, 415,
&end
#
# 64 TYR H 65 VAL H 5.25
&rst
ixpk= 0, nxpk= 0, iat= 987,1008, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 37 ASN H 38 THR H 4.62
&rst
ixpk= 0, nxpk= 0, iat= 569, 583, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 36 VAL HB 37 ASN H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 35 LEU HA 37 ASN H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 536, 569, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 37 ASN H 37 ASN HB2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 569, 573, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 37 ASN H 37 ASN HD21 5.93
&rst
ixpk= 0, nxpk= 0, iat= 569, 579, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 93 SER H 93 SER QB 4.05
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1449,1450,
&end
#
# 92 LEU HG 93 SER H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1433,1445, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 92 LEU QD1 93 SER H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1435,1436,1437,
&end
#
# 153 LEU H 155 ASP H 5.5
&rst
ixpk= 0, nxpk= 0, iat=2405,2438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 153 LEU H 154 ASN H 5.07
&rst
ixpk= 0, nxpk= 0, iat=2405,2424, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 152 ILE QG2 153 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2392,2393,2394,
&end
#
# 152 ILE H 153 LEU H 4.7
&rst
ixpk= 0, nxpk= 0, iat=2386,2405, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 155 ASP HB3 156 LEU H 4.96
&rst
ixpk= 0, nxpk= 0, iat=2443,2450, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 155 ASP HB2 156 LEU H 5.46
&rst
ixpk= 0, nxpk= 0, iat=2442,2450, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 77 SER H 77 SER HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1222,1226, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 77 SER H 78 LEU H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1222,1233, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 73 LYS HA 77 SER H 5.23
&rst
ixpk= 0, nxpk= 0, iat=1151,1222, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 76 ARG QG 77 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1205,1206,
&end
#
# 156 LEU QB 157 PHE H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2469, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2454,2455,
&end
#
# 156 LEU H 157 PHE H 4.51
&rst
ixpk= 0, nxpk= 0, iat=2450,2469, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 37 ASN HB3 38 THR H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 574, 583, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 37 ASN HB2 38 THR H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 573, 583, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 38 THR H 38 THR QG2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 589, 590, 591,
&end
#
# 39 PHE H 45 LEU QD2 5.24
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 708, 709, 710,
&end
#
# 37 ASN HB3 39 PHE H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 574, 597, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 38 THR H 99 MET QE 5.89
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1566,1567,1568,
&end
#
# 200 THR H 204 THR HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=3135,3207, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 140 LEU H 140 LEU HG 4.79
&rst
ixpk= 0, nxpk= 0, iat=2219,2226, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 190 ALA QB 192 SER H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,3012, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2990,2991,2992,
&end
#
# 192 SER H 193 ALA H 4.07
&rst
ixpk= 0, nxpk= 0, iat=3012,3023, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 192 SER H 192 SER HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=3012,3017, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 192 SER H 193 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=3012, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=3027,3028,3029,
&end
#
# 192 SER H 209 ILE HB 5.75
&rst
ixpk= 0, nxpk= 0, iat=3012,3300, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 35 LEU QD1 39 PHE H 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 543, 544, 545,
&end
#
# 191 VAL HA 194 ALA H 5.52
&rst
ixpk= 0, nxpk= 0, iat=2998,3033, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 25 GLY H 26 VAL QG2 5.3
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 413, 414, 415,
&end
#
# 46 SER H 68 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 714,1064, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 46 SER H 68 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1070,1071,1072,
&end
#
# 153 LEU QD1 191 VAL H 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2996, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=2414,2415,2416,
&end
#
# 203 PHE H 203 PHE QD 5.04
&rst
ixpk= 0, nxpk= 0, iat=3185, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=3193,3201,
&end
#
# 203 PHE H 204 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat=3185, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3211,3212,3213,
&end
#
# 202 LYS QB 203 PHE H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=3167,3168,
&end
#
# 199 LYS HB3 203 PHE H 4.9
&rst
ixpk= 0, nxpk= 0, iat=3118,3185, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 200 THR QG2 203 PHE H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=3141,3142,3143,
&end
#
# 24 GLY H 25 GLY H 5.47
&rst
ixpk= 0, nxpk= 0, iat= 389, 396, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 191 VAL H 191 VAL HB 4.35
&rst
ixpk= 0, nxpk= 0, iat=2996,3000, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 190 ALA QB 191 VAL H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2996, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2990,2991,2992,
&end
#
# 131 PRO HB3 132 SER H 4.72
&rst
ixpk= 0, nxpk= 0, iat=2095,2101, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 44 SER H 70 GLU HB3 5.72
&rst
ixpk= 0, nxpk= 0, iat= 684,1105, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 43 GLY QA 44 SER H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 679, 680,
&end
#
# 43 GLY H 44 SER H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 161 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=2525,2526,2527,
&end
#
# 161 VAL QG2 183 ASN H 5.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2858, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=2529,2530,2531,
&end
#
# 174 ILE QG1 176 SER H 5
&rst
ixpk= 0, nxpk= 0, iat= -1,2752, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2736,2737,
&end
#
# 4 SER H 6 GLN HE22 5.01
&rst
ixpk= 0, nxpk= 0, iat= 59, 89, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 11 ASN H 11 ASN HD22 5.65
&rst
ixpk= 0, nxpk= 0, iat= 165, 174, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 137 VAL QG1 138 GLY H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2192,2193,2194,
&end
#
# 138 GLY H 209 ILE H 5.35
&rst
ixpk= 0, nxpk= 0, iat=2202,3296, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 44 SER H 70 GLU HG2 5.71
&rst
ixpk= 0, nxpk= 0, iat= 684,1107, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 181 PHE H 183 ASN H 5.04
&rst
ixpk= 0, nxpk= 0, iat=2824,2858, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 181 PHE QD 183 ASN H 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2858, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2832,2840,
&end
#
# 4 SER H 6 GLN HE21 4.29
&rst
ixpk= 0, nxpk= 0, iat= 59, 90, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 6 GLN H 6 GLN HE21 5.43
&rst
ixpk= 0, nxpk= 0, iat= 77, 90, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 124 SER H 161 VAL HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1979,2521, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &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 QB 124 SER H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1959,1960,
&end
#
# 122 VAL QG1 124 SER H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1945,1946,1947,
&end
#
# 18 SER H 75 VAL QG2 5.7
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1192,1193,1194,
&end
#
# 18 SER H 75 VAL QG1 5.67
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1188,1189,1190,
&end
#
# 174 ILE QD1 175 GLY H 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=2739,2740,2741,
&end
#
# 26 VAL QG1 65 VAL H 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 409, 410, 411,
&end
#
# 167 THR QG2 175 GLY H 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1=2610,2611,2612,
&end
#
# 158 GLY H 159 GLY H 4.8
&rst
ixpk= 0, nxpk= 0, iat=2489,2496, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 167 THR H 167 THR QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat=2604, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2610,2611,2612,
&end
#
# 166 ASP H 167 THR H 5.68
&rst
ixpk= 0, nxpk= 0, iat=2592,2604, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 4 SER H 5 GLY H 5.05
&rst
ixpk= 0, nxpk= 0, iat= 59, 70, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 5 GLY H 7 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 103, 104, 105,
&end
#
# 3 TRP HE3 5 GLY H 5.6
&rst
ixpk= 0, nxpk= 0, iat= 54, 70, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 42 PHE QB 43 GLY H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 661, 662,
&end
#
# 41 VAL H 43 GLY H 5.28
&rst
ixpk= 0, nxpk= 0, iat= 641, 677, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 41 VAL HB 43 GLY H 5.44
&rst
ixpk= 0, nxpk= 0, iat= 645, 677, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 43 GLY H 71 LEU QQD 5.73
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 3 TRP HZ3 5 GLY H 5.38
&rst
ixpk= 0, nxpk= 0, iat= 52, 70, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 41 VAL QG1 43 GLY H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 677, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 647, 648, 649,
&end
#
# 161 VAL QG1 182 ASN HD21 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2854, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=2525,2526,2527,
&end
#
# 161 VAL QG2 182 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2853, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2529,2530,2531,
&end
#
# 176 SER H 177 GLY H 5.31
&rst
ixpk= 0, nxpk= 0, iat=2752,2763, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 90 ASP HB2 91 GLY H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1411,1419, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 91 GLY H 92 LEU HB3 5.68
&rst
ixpk= 0, nxpk= 0, iat=1419,1431, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 24 GLY H 111 VAL HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 389,1766, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 164 GLY H 179 VAL QG2 5.68
&rst
ixpk= 0, nxpk= 0, iat=2566, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=2804,2805,2806,
&end
#
# 164 GLY H 179 VAL HB 5.68
&rst
ixpk= 0, nxpk= 0, iat=2566,2798, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 164 GLY H 178 ARG H 4.93
&rst
ixpk= 0, nxpk= 0, iat=2566,2770, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 34 GLY H 36 VAL HB 5.57
&rst
ixpk= 0, nxpk= 0, iat= 527, 557, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 31 THR QG2 34 GLY H 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 494, 495, 496,
&end
#
# 32 GLU H 34 GLY H 5.65
&rst
ixpk= 0, nxpk= 0, iat= 502, 527, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end
#
# 192 SER HB3 209 ILE H 5.25
&rst
ixpk= 0, nxpk= 0, iat=3017,3296, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 189 LYS HA 192 SER HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat=2966,3016, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 190 ALA H 192 SER HB2 6
&rst
ixpk= 0, nxpk= 0, iat=2986,3016, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 34 GLY QA 37 ASN HD21 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 579, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 529, 530,
&end
#
# 71 LEU HB3 74 SER HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat=1120,1175, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 71 LEU HB3 75 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat=1120,1186, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 24 GLY QA 26 VAL H 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 391, 392,
&end
#
# 23 LEU HB2 111 VAL HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 374,1766, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 163 ALA HA 164 GLY QA 5.01
&rst
ixpk= 0, nxpk= 0, iat=2558, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2568,2569,
&end
#
# 40 ARG H 40 ARG QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 627, 628,
&end
#
# 188 LEU HA 192 SER HB3 4.4
&rst
ixpk= 0, nxpk= 0, iat=2947,3017, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &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 HA 40 ARG QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 627, 628,
&end
#
# 133 ARG HA 133 ARG QD 4.74
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2122,2123,
&end
#
# 37 ASN HA 40 ARG QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 627, 628,
&end
#
# 123 ARG HG3 123 ARG HD3 3.41
&rst
ixpk= 0, nxpk= 0, iat=1963,1966, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 129 LEU HA 130 ASP HB2 5.14
&rst
ixpk= 0, nxpk= 0, iat=2058,2079, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 130 ASP HB3 131 PRO HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=2080,2097, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 73 LYS HG2 73 LYS QE 3.64
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1162,1163,
&end
#
# 92 LEU H 92 LEU HB2 4.6
&rst
ixpk= 0, nxpk= 0, iat=1426,1430, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 92 LEU HB3 92 LEU QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1435,1436,1437,
&end
#
# 73 LYS HA 73 LYS QE 4.57
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1162,1163,
&end
#
# 73 LYS HB2 73 LYS QE 4.54
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1162,1163,
&end
#
# 199 LYS QE 203 PHE H 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,3185, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=3126,3127,
&end
#
# 73 LYS H 73 LYS QE 5.54
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1162,1163,
&end
#
# 182 ASN QB 183 ASN QB 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2848,2849,
igr2=2862,2863,
&end
#
# 85 ASP QB 86 PRO HD2 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1350, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1341,1342,
&end
#
# 84 HIS HA 85 ASP QB 5.23
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1341,1342,
&end
#
# 188 LEU HB3 189 LYS H 4.92
&rst
ixpk= 0, nxpk= 0, iat=2950,2964, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 188 LEU HB3 188 LEU QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat=2950, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2954,2955,2956,
&end
#
# 116 LEU HB2 117 ALA HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=1857,1874, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 90 ASP HB3 91 GLY H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1412,1419, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 115 VAL QG1 116 LEU HB2 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1857, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1843,1844,1845,
&end
#
# 115 VAL QG1 116 LEU HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1843,1844,1845,
&end
#
# 143 MET HA 165 ILE HB 5.09
&rst
ixpk= 0, nxpk= 0, iat=2264,2577, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 10 ARG HA 11 ASN HB3 5.99
&rst
ixpk= 0, nxpk= 0, iat= 143, 170, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 182 ASN QB 183 ASN H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2858, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2848,2849,
&end
#
# 198 ILE H 205 LYS QB 5.8
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=3223,3224,
&end
#
# 205 LYS QB 205 LYS QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=3223,3224,
igr2=3229,3230,
&end
#
# 70 GLU HG3 71 LEU QQD 4.78
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 70 GLU HA 70 GLU HG2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1102,1107, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 97 PHE QD 108 GLU HG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1723, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1521,1529,
&end
#
# 99 MET QB 109 VAL QG1 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1559,1560,
igr2=1737,1738,1739,
&end
#
# 28 TRP HH2 108 GLU HG3 5.71
&rst
ixpk= 0, nxpk= 0, iat= 448,1724, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, &end
#
# 70 GLU HG2 71 LEU QQD 5.17
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 99 MET QB 100 SER H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1572, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1559,1560,
&end
#
# 160 VAL QG1 179 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2798, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2509,2510,2511,
&end
#
# 17 TYR H 72 GLU HG3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 269,1142, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 4 SER HA 199 LYS HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 61,3117, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 199 LYS HB3 202 LYS H 6
&rst
ixpk= 0, nxpk= 0, iat=3118,3163, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 80 GLN HA 80 GLN HG3 4.05
&rst
ixpk= 0, nxpk= 0, iat=1273,1279, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 199 LYS HB3 199 LYS QE 5.27
&rst
ixpk= 0, nxpk= 0, iat=3118, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=3126,3127,
&end
#
# 199 LYS HB3 200 THR QG2 5.64
&rst
ixpk= 0, nxpk= 0, iat=3118, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=3141,3142,3143,
&end
#
# 199 LYS HB2 199 LYS QE 4.96
&rst
ixpk= 0, nxpk= 0, iat=3117, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=3126,3127,
&end
#
# 143 MET H 143 MET QG 4.98
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=2269,2270,
&end
#
# 143 MET HA 143 MET QG 4.62
&rst
ixpk= 0, nxpk= 0, iat=2264, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2269,2270,
&end
#
# 6 GLN QG 7 LEU H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 84, 85,
&end
#
# 6 GLN H 6 GLN QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 84, 85,
&end
#
# 161 VAL HB 182 ASN QB 5.36
&rst
ixpk= 0, nxpk= 0, iat=2523, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2848,2849,
&end
#
# 98 LYS HB3 99 MET H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1538,1555, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 122 VAL HB 162 TYR QD 5.36
&rst
ixpk= 0, nxpk= 0, iat=1943, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2543,2552,
&end
#
# 189 LYS HB2 190 ALA H 4.97
&rst
ixpk= 0, nxpk= 0, iat=2968,2986, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 157 PHE QD 189 LYS HB3 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,2969, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2477,2485,
&end
#
# 2 THR HB 3 TRP H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 25, 35, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 189 LYS H 189 LYS HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2964,2968, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 189 LYS HB3 190 ALA H 4.85
&rst
ixpk= 0, nxpk= 0, iat=2969,2986, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 86 PRO HB3 87 LEU QD1 5.51
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1372,1373,1374,
&end
#
# 73 LYS HB2 74 SER H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1153,1171, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 179 VAL HA 180 THR HB 5.27
&rst
ixpk= 0, nxpk= 0, iat=2796,2814, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 161 VAL QG2 180 THR HB 5.9
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=2529,2530,2531,
&end
#
# 36 VAL HB 45 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 704, 705, 706,
&end
#
# 2 THR QG2 197 GLU HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,3084, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 27, 28, 29,
&end
#
# 159 GLY H 160 VAL HB 5.36
&rst
ixpk= 0, nxpk= 0, iat=2496,2507, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 188 LEU HA 191 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat=2947,3000, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 75 VAL HB 77 SER H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1186,1222, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 122 VAL QG2 123 ARG QB 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1=1949,1950,1951,
igr2=1959,1960,
&end
#
# 41 VAL HB 42 PHE H 6
&rst
ixpk= 0, nxpk= 0, iat= 645, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &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
#
# 70 GLU HB3 71 LEU QQD 5.48
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 6 GLN HB3 7 LEU H 5.1
&rst
ixpk= 0, nxpk= 0, iat= 82, 94, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 70 GLU HB3 71 LEU H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1105,1115, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 75 VAL H 76 ARG QG 5.2
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1205,1206,
&end
#
# 76 ARG H 76 ARG QG 5.43
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1205,1206,
&end
#
# 4 SER QB 199 LYS HD3 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1,3124, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 63, 64,
&end
#
# 71 LEU QQD 73 LYS QD 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1=1124,1125,1126,1128,1129,1130,
igr2=1159,1160,
&end
#
# 40 ARG HA 45 LEU QD2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 708, 709, 710,
&end
#
# 35 LEU QD1 45 LEU QD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 543, 544, 545,
igr2= 708, 709, 710,
&end
#
# 45 LEU QD2 67 LEU HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 708, 709, 710,
&end
#
# 36 VAL HA 45 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 708, 709, 710,
&end
#
# 36 VAL HA 45 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 704, 705, 706,
&end
#
# 40 ARG H 40 ARG QG 5.5
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 624, 625,
&end
#
# 36 VAL QG2 40 ARG QG 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1= 563, 564, 565,
igr2= 624, 625,
&end
#
# 133 ARG H 133 ARG HG2 4.99
&rst
ixpk= 0, nxpk= 0, iat=2112,2119, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 185 ARG QG 186 SER H 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=2896,2897,
&end
#
# 123 ARG H 123 ARG HG2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1955,1962, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 35 LEU QD1 36 VAL HA 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 543, 544, 545,
&end
#
# 74 SER HA 75 VAL HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=1173,1184, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 156 LEU H 156 LEU QD2 4.51
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2463,2464,2465,
&end
#
# 192 SER HB3 209 ILE QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=3017, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=3302,3303,3304,
&end
#
# 185 ARG HA 185 ARG QG 4.58
&rst
ixpk= 0, nxpk= 0, iat=2891, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2896,2897,
&end
#
# 133 ARG H 133 ARG HG3 5.6
&rst
ixpk= 0, nxpk= 0, iat=2112,2120, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 156 LEU QD2 198 ILE QG2 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=2463,2464,2465,
igr2=3100,3101,3102,
&end
#
# 156 LEU QB 156 LEU QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2454,2455,
igr2=2463,2464,2465,
&end
#
# 75 VAL HA 79 LEU QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1256,1257,
&end
#
# 35 LEU QD1 65 VAL HB 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 543, 544, 545,
&end
#
# 99 MET QB 100 SER HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1559,1560,
&end
#
# 85 ASP HA 86 PRO HG3 5.03
&rst
ixpk= 0, nxpk= 0, iat=1339,1354, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 87 LEU HA 92 LEU HG 4.19
&rst
ixpk= 0, nxpk= 0, iat=1365,1433, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 100 SER HB3 101 SER H 5.42
&rst
ixpk= 0, nxpk= 0, iat=1577,1583, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 100 SER H 100 SER HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat=1572,1577, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 46 SER QB 47 VAL H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 718, 719,
&end
#
# 46 SER QB 47 VAL QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1= 718, 719,
igr2= 731, 732, 733,
&end
#
# 92 LEU H 92 LEU HG 5.74
&rst
ixpk= 0, nxpk= 0, iat=1426,1433, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, &end
#
# 78 LEU QD2 79 LEU HA 5.9
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1246,1247,1248,
&end
#
# 45 LEU QD1 46 SER QB 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr1= 704, 705, 706,
igr2= 718, 719,
&end
#
# 7 LEU H 7 LEU HG 5.34
&rst
ixpk= 0, nxpk= 0, iat= 94, 101, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 140 LEU HG 144 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2288,2289,2290,
&end
#
# 191 VAL HA 192 SER HA 5
&rst
ixpk= 0, nxpk= 0, iat=2998,3014, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 GLN H 7 LEU HG 5.58
&rst
ixpk= 0, nxpk= 0, iat= 77, 101, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, &end
#
# 144 LEU H 144 LEU QD1 5.1
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2288,2289,2290,
&end
#
# 103 ARG H 103 ARG QG 5.21
&rst
ixpk= 0, nxpk= 0, iat=1618, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1625,1626,
&end
#
# 168 ASP H 174 ILE QG1 5.44
&rst
ixpk= 0, nxpk= 0, iat=2618, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2736,2737,
&end
#
# 160 VAL HA 160 VAL QG1 4.72
&rst
ixpk= 0, nxpk= 0, iat=2505, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2509,2510,2511,
&end
#
# 3 TRP HE3 4 SER QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 63, 64,
&end
#
# 139 ALA HA 140 LEU QD1 5.76
&rst
ixpk= 0, nxpk= 0, iat=2211, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=2228,2229,2230,
&end
#
# 122 VAL QG2 124 SER QB 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1949,1950,1951,
igr2=1983,1984,
&end
#
# 4 SER QB 5 GLY H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 70, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 63, 64,
&end
#
# 4 SER QB 5 GLY QA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 63, 64,
igr2= 72, 73,
&end
#
# 4 SER QB 199 LYS H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,3113, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 63, 64,
&end
#
# 4 SER QB 199 LYS HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,3118, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 63, 64,
&end
#
# 45 LEU HA 45 LEU QD1 5.59
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 704, 705, 706,
&end
#
# 40 ARG QD 45 LEU QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1= 627, 628,
igr2= 704, 705, 706,
&end
#
# 45 LEU H 45 LEU QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 704, 705, 706,
&end
#
# 23 LEU HB2 23 LEU QD1 3.7
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 379, 380, 381,
&end
#
# 83 SER QB 84 HIS HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1324, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1313,1314,
&end
#
# 124 SER H 124 SER QB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1979, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1983,1984,
&end
#
# 122 VAL QG1 124 SER QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1945,1946,1947,
igr2=1983,1984,
&end
#
# 152 ILE HA 152 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat=2388, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2392,2393,2394,
&end
#
# 6 GLN HA 7 LEU QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 107, 108, 109,
&end
#
# 7 LEU H 7 LEU QD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 107, 108, 109,
&end
#
# 116 LEU H 116 LEU QD2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1866,1867,1868,
&end
#
# 149 LEU H 149 LEU QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2356,2357,2358,
&end
#
# 149 LEU HA 149 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2356,2357,2358,
&end
#
# 23 LEU HA 23 LEU QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 379, 380, 381,
&end
#
# 82 CYS HA 83 SER QB 5.09
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1313,1314,
&end
#
# 83 SER QB 95 TYR QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1313,1314,
igr2=1475,1476,
&end
#
# 187 TYR QD 188 LEU QD2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1=2932,2941,
igr2=2958,2959,2960,
&end
#
# 188 LEU QD2 192 SER H 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,3012, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=2958,2959,2960,
&end
#
# 23 LEU QD1 111 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 379, 380, 381,
igr2=1770,1771,1772,
&end
#
# 153 LEU QD1 190 ALA HA 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2988, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=2414,2415,2416,
&end
#
# 129 LEU QD1 180 THR HB 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2065,2066,2067,
&end
#
# 188 LEU QD2 191 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=2958,2959,2960,
igr2=3002,3003,3004,
&end
#
# 144 LEU QD2 203 PHE QE 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2292,2293,2294,
igr2=3195,3199,
&end
#
# 144 LEU QD2 152 ILE QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=2292,2293,2294,
igr2=2399,2400,2401,
&end
#
# 129 LEU QD1 162 TYR QE 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=2065,2066,2067,
igr2=2545,2550,
&end
#
# 129 LEU QD1 180 THR QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=2065,2066,2067,
igr2=2816,2817,2818,
&end
#
# 79 LEU QD2 80 GLN H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1265,1266,1267,
&end
#
# 79 LEU QD2 95 TYR QE 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=1265,1266,1267,
igr2=1481,1486,
&end
#
# 39 PHE QD 67 LEU QD2 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1= 605, 613,
igr2=1058,1059,1060,
&end
#
# 67 LEU QD2 69 PHE H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1058,1059,1060,
&end
#
# 153 LEU QD1 156 LEU QB 4.7
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=2414,2415,2416,
igr2=2454,2455,
&end
#
# 129 LEU H 129 LEU QD1 5.84
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=2065,2066,2067,
&end
#
# 75 VAL HB 79 LEU QD2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1265,1266,1267,
&end
#
# 39 PHE QE 67 LEU QD2 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
igr1= 607, 611,
igr2=1058,1059,1060,
&end
#
# 67 LEU QD2 68 VAL HB 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1058,1059,1060,
&end
#
# 67 LEU QD2 75 VAL QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1=1058,1059,1060,
igr2=1192,1193,1194,
&end
#
# 45 LEU QD2 67 LEU QD2 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 708, 709, 710,
igr2=1058,1059,1060,
&end
#
# 188 LEU HA 192 SER HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat=2947,3016, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 186 SER HA 188 LEU QD1 5.54
&rst
ixpk= 0, nxpk= 0, iat=2915, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=2954,2955,2956,
&end
#
# 88 SER H 88 SER HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat=1382,1387, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 44 SER H 44 SER HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat= 684, 689, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 44 SER HB3 70 GLU HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat= 689,1108, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 191 VAL QG1 192 SER HB2 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,3016, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=3002,3003,3004,
&end
#
# 44 SER HB2 70 GLU HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 688,1108, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 186 SER HA 189 LYS HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat=2915,2968, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 71 LEU QQD 73 LYS HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=1124,1125,1126,1128,1129,1130,
&end
#
# 153 LEU QD2 190 ALA QB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2418,2419,2420,
igr2=2990,2991,2992,
&end
#
# 15 PRO HA 16 ILE HG12 4.93
&rst
ixpk= 0, nxpk= 0, iat= 246, 260, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 41 VAL HA 41 VAL QG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 651, 652, 653,
&end
#
# 73 LYS HG2 74 SER H 5.6
&rst
ixpk= 0, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 71 LEU QQD 73 LYS HG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1156, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1124,1125,1126,1128,1129,1130,
&end
#
# 73 LYS H 73 LYS HG3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1149,1157, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 121 PHE QB 163 ALA QB 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1923,1924,
igr2=2560,2561,2562,
&end
#
# 153 LEU HA 153 LEU QD2 4.4
&rst
ixpk= 0, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2418,2419,2420,
&end
#
# 73 LYS HG3 74 SER HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1157,1175, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 41 VAL QG2 74 SER HB3 5.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1176, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1= 651, 652, 653,
&end
#
# 77 SER HB3 78 LEU QD2 5.8
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1246,1247,1248,
&end
#
# 73 LYS H 73 LYS HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1149,1156, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 130 ASP H 180 THR QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2816,2817,2818,
&end
#
# 129 LEU HA 180 THR QG2 4.7
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2816,2817,2818,
&end
#
# 153 LEU QD2 155 ASP H 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2438, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2418,2419,2420,
&end
#
# 153 LEU QD2 156 LEU QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2418,2419,2420,
igr2=2454,2455,
&end
#
# 134 THR HA 180 THR HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=2138,2812, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 134 THR HA 180 THR QG2 5.56
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr2=2816,2817,2818,
&end
#
# 129 LEU QD2 161 VAL QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=2069,2070,2071,
igr2=2529,2530,2531,
&end
#
# 129 LEU QD2 180 THR H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2069,2070,2071,
&end
#
# 41 VAL QG1 74 SER HB2 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 647, 648, 649,
&end
#
# 129 LEU HA 129 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2069,2070,2071,
&end
#
# 9 PRO HA 10 ARG HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= 137, 143, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 135 VAL QG1 187 TYR QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1=2156,2157,2158,
igr2=2934,2939,
&end
#
# 33 ALA H 36 VAL QG1 5.29
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 559, 560, 561,
&end
#
# 35 LEU QD2 65 VAL HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 547, 548, 549,
&end
#
# 70 GLU H 71 LEU QQD 5.53
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 134 THR QG2 180 THR QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2142,2143,2144,
igr2=2816,2817,2818,
&end
#
# 135 VAL QG1 137 VAL QG1 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=2156,2157,2158,
igr2=2192,2193,2194,
&end
#
# 135 VAL QG1 136 PHE QD 5.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=2156,2157,2158,
igr2=2174,2182,
&end
#
# 78 LEU QD1 82 CYS H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1242,1243,1244,
&end
#
# 78 LEU QD1 79 LEU QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1242,1243,1244,
igr2=1256,1257,
&end
#
# 78 LEU HA 78 LEU QD1 4.49
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1242,1243,1244,
&end
#
# 77 SER HA 78 LEU HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1224,1235, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 36 VAL H 36 VAL QG1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 559, 560, 561,
&end
#
# 35 LEU H 35 LEU QD2 5.87
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2= 547, 548, 549,
&end
#
# 7 LEU QD1 151 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 103, 104, 105,
igr2=2380,2381,2382,
&end
#
# 71 LEU HB3 71 LEU QQD 3.7
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 35 LEU QB 35 LEU QD2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 538, 539,
igr2= 547, 548, 549,
&end
#
# 71 LEU HA 71 LEU QQD 4.09
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 71 LEU QQD 73 LYS QE 5.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.72, r4= 9.22,
igr1=1124,1125,1126,1128,1129,1130,
igr2=1162,1163,
&end
#
# 39 PHE QB 71 LEU QQD 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.40, r4= 8.90,
igr1= 601, 602,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 161 VAL QG1 182 ASN H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2844, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=2525,2526,2527,
&end
#
# 161 VAL H 161 VAL QG1 5.68
&rst
ixpk= 0, nxpk= 0, iat=2519, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=2525,2526,2527,
&end
#
# 129 LEU QD2 161 VAL QG1 5.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,
igr1=2069,2070,2071,
igr2=2525,2526,2527,
&end
#
# 7 LEU QD1 152 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 103, 104, 105,
igr2=2399,2400,2401,
&end
#
# 124 SER QB 161 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1983,1984,
igr2=2525,2526,2527,
&end
#
# 161 VAL QG1 182 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2853, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2525,2526,2527,
&end
#
# 7 LEU HA 7 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 103, 104, 105,
&end
#
# 5 GLY QA 7 LEU QD1 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
igr1= 72, 73,
igr2= 103, 104, 105,
&end
#
# 24 GLY QA 26 VAL QG1 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 391, 392,
igr2= 409, 410, 411,
&end
#
# 74 SER H 75 VAL QG2 5.66
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1192,1193,1194,
&end
#
# 26 VAL H 26 VAL QG1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 409, 410, 411,
&end
#
# 160 VAL HA 161 VAL HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=2505,2521, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 188 LEU HA 188 LEU QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat=2947, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2954,2955,2956,
&end
#
# 188 LEU QD1 189 LYS HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=2954,2955,2956,
&end
#
# 156 LEU HA 156 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat=2452, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2459,2460,2461,
&end
#
# 149 LEU HA 149 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2360,2361,2362,
&end
#
# 32 GLU HA 34 GLY H 5.42
&rst
ixpk= 0, nxpk= 0, iat= 504, 527, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 199 LYS HB3 204 THR HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=3118,3207, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 204 THR HA 205 LYS QB 5.22
&rst
ixpk= 0, nxpk= 0, iat=3207, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=3223,3224,
&end
#
# 152 ILE QG2 198 ILE HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1,3096, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2392,2393,2394,
&end
#
# 47 VAL QG1 48 GLU HA 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 731, 732, 733,
&end
#
# 160 VAL QG1 163 ALA H 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2556, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=2509,2510,2511,
&end
#
# 179 VAL QG2 180 THR H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2810, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2804,2805,2806,
&end
#
# 153 LEU QD1 179 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2414,2415,2416,
igr2=2804,2805,2806,
&end
#
# 116 LEU H 116 LEU QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat=1853, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1862,1863,1864,
&end
#
# 32 GLU HA 65 VAL HB 4.58
&rst
ixpk= 0, nxpk= 0, iat= 504,1012, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 21 VAL QG1 75 VAL HA 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 340, 341, 342,
&end
#
# 160 VAL QG1 162 TYR QD 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=2509,2510,2511,
igr2=2543,2552,
&end
#
# 179 VAL H 179 VAL QG2 5.54
&rst
ixpk= 0, nxpk= 0, iat=2794, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=2804,2805,2806,
&end
#
# 116 LEU QD1 117 ALA H 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1862,1863,1864,
&end
#
# 191 VAL H 191 VAL QG1 4.17
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=3002,3003,3004,
&end
#
# 191 VAL HA 191 VAL QG1 4.3
&rst
ixpk= 0, nxpk= 0, iat=2998, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=3002,3003,3004,
&end
#
# 137 VAL QG1 191 VAL QG1 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=2192,2193,2194,
igr2=3002,3003,3004,
&end
#
# 137 VAL QG1 192 SER HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,3014, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=2192,2193,2194,
&end
#
# 16 ILE HA 17 TYR QD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 277, 286,
&end
#
# 187 TYR HA 187 TYR QD 5.14
&rst
ixpk= 0, nxpk= 0, iat=2926, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=2932,2941,
&end
#
# 181 PHE QB 187 TYR HA 5.2
&rst
ixpk= 0, nxpk= 0, iat= -1,2926, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2828,2829,
&end
#
# 31 THR QG2 32 GLU H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 494, 495, 496,
&end
#
# 31 THR H 31 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 494, 495, 496,
&end
#
# 156 LEU QB 196 VAL QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=2454,2455,
igr2=3069,3070,3071,
&end
#
# 30 ILE HB 31 THR QG2 5.86
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2= 494, 495, 496,
&end
#
# 21 VAL H 21 VAL QG1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 340, 341, 342,
&end
#
# 3 TRP HD1 196 VAL QG1 5.58
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=3069,3070,3071,
&end
#
# 17 TYR QE 115 VAL QG1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 279, 284,
igr2=1843,1844,1845,
&end
#
# 35 LEU QD1 67 LEU QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 543, 544, 545,
igr2=1054,1055,1056,
&end
#
# 67 LEU QD1 68 VAL H 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1054,1055,1056,
&end
#
# 204 THR QG2 205 LYS H 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=3211,3212,3213,
&end
#
# 33 ALA HA 36 VAL QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 563, 564, 565,
&end
#
# 36 VAL HA 36 VAL QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 563, 564, 565,
&end
#
# 122 VAL QG2 150 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1949,1950,1951,
igr2=2370,2371,2372,
&end
#
# 21 VAL H 21 VAL QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 344, 345, 346,
&end
#
# 137 VAL QG1 191 VAL HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2998, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=2192,2193,2194,
&end
#
# 137 VAL QG1 191 VAL HB 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,3000, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=2192,2193,2194,
&end
#
# 67 LEU HA 67 LEU QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1054,1055,1056,
&end
#
# 185 ARG HA 188 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=2891, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2954,2955,2956,
&end
#
# 72 GLU HA 75 VAL HB 4.82
&rst
ixpk= 0, nxpk= 0, iat=1136,1186, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 200 THR H 204 THR QG2 5.3
&rst
ixpk= 0, nxpk= 0, iat=3135, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=3211,3212,3213,
&end
#
# 204 THR HA 204 THR QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=3207, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=3211,3212,3213,
&end
#
# 199 LYS HB2 204 THR QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=3117, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=3211,3212,3213,
&end
#
# 199 LYS HD2 204 THR QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat=3123, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=3211,3212,3213,
&end
#
# 2 THR QG2 196 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 27, 28, 29,
igr2=3069,3070,3071,
&end
#
# 36 VAL H 36 VAL QG2 4.95
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 563, 564, 565,
&end
#
# 36 VAL QG2 40 ARG HA 5.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 563, 564, 565,
&end
#
# 122 VAL QG2 124 SER H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1979, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1949,1950,1951,
&end
#
# 79 LEU QD1 111 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1261,1262,1263,
igr2=1774,1775,1776,
&end
#
# 36 VAL QG2 37 ASN HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 563, 564, 565,
&end
#
# 122 VAL QG2 162 TYR HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1949,1950,1951,
&end
#
# 122 VAL HA 122 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1941, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1949,1950,1951,
&end
#
# 137 VAL QG1 179 VAL H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2192,2193,2194,
&end
#
# 122 VAL QG1 150 ALA HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1945,1946,1947,
&end
#
# 122 VAL QG1 150 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1945,1946,1947,
igr2=2370,2371,2372,
&end
#
# 200 THR H 200 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=3135, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=3141,3142,3143,
&end
#
# 76 ARG HA 76 ARG QG 4.73
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1205,1206,
&end
#
# 200 THR HA 200 THR QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat=3137, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=3141,3142,3143,
&end
#
# 38 THR QG2 39 PHE QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 589, 590, 591,
igr2= 607, 611,
&end
#
# 38 THR QG2 39 PHE QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 589, 590, 591,
igr2= 605, 613,
&end
#
# 122 VAL QG1 161 VAL H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1945,1946,1947,
&end
#
# 122 VAL HA 122 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1941, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1945,1946,1947,
&end
#
# 65 VAL H 65 VAL QG1 5.65
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=1014,1015,1016,
&end
#
# 68 VAL H 68 VAL QG1 4.65
&rst
ixpk= 0, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1070,1071,1072,
&end
#
# 35 LEU QD2 65 VAL QG1 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 547, 548, 549,
igr2=1014,1015,1016,
&end
#
# 30 ILE QD1 65 VAL QG1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 482, 483, 484,
igr2=1014,1015,1016,
&end
#
# 137 VAL HA 137 VAL QG1 4.75
&rst
ixpk= 0, nxpk= 0, iat=2188, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2192,2193,2194,
&end
#
# 167 THR HA 167 THR QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=2606, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2610,2611,2612,
&end
#
# 7 LEU QD2 200 THR HA 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1,3137, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1= 107, 108, 109,
&end
#
# 73 LYS HA 76 ARG QD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1208,1209,
&end
#
# 147 GLU HA 148 ALA QB 5.54
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=2341,2342,2343,
&end
#
# 81 ALA H 81 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1292,1293,1294,
&end
#
# 81 ALA QB 82 CYS H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1292,1293,1294,
&end
#
# 167 THR QG2 168 ASP H 5.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2618, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=2610,2611,2612,
&end
#
# 21 VAL QG1 75 VAL QG1 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 340, 341, 342,
igr2=1188,1189,1190,
&end
#
# 153 LEU HA 156 LEU QB 4.85
&rst
ixpk= 0, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2454,2455,
&end
#
# 189 LYS HA 193 ALA H 5.25
&rst
ixpk= 0, nxpk= 0, iat=2966,3023, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 135 VAL H 179 VAL QG1 4.87
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2800,2801,2802,
&end
#
# 134 THR HA 179 VAL QG1 5.39
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2800,2801,2802,
&end
#
# 179 VAL QG1 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=2800,2801,2802,
igr2=2816,2817,2818,
&end
#
# 75 VAL QG1 79 LEU H 5.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1188,1189,1190,
&end
#
# 75 VAL HA 75 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1188,1189,1190,
&end
#
# 21 VAL QG2 75 VAL QG1 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1= 344, 345, 346,
igr2=1188,1189,1190,
&end
#
# 70 GLU HA 71 LEU QQD 5.47
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 179 VAL H 179 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat=2794, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2800,2801,2802,
&end
#
# 41 VAL QG1 73 LYS HG3 5.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 647, 648, 649,
&end
#
# 78 LEU QD2 79 LEU QD1 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1246,1247,1248,
igr2=1261,1262,1263,
&end
#
# 73 LYS HA 76 ARG H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1151,1198, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 40 ARG H 41 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 647, 648, 649,
&end
#
# 41 VAL QG1 42 PHE H 4.6
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 647, 648, 649,
&end
#
# 41 VAL H 41 VAL QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 647, 648, 649,
&end
#
# 41 VAL HA 41 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 647, 648, 649,
&end
#
# 79 LEU HA 79 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1261,1262,1263,
&end
#
# 79 LEU H 79 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1261,1262,1263,
&end
#
# 76 ARG HA 79 LEU QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1261,1262,1263,
&end
#
# 23 LEU HB3 26 VAL QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 413, 414, 415,
&end
#
# 17 TYR HA 17 TYR QD 5.62
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2= 277, 286,
&end
#
# 148 ALA QB 152 ILE QD1 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=2341,2342,2343,
igr2=2399,2400,2401,
&end
#
# 129 LEU HA 161 VAL QG2 5.65
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=2529,2530,2531,
&end
#
# 17 TYR HA 75 VAL QG1 5.84
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr2=1188,1189,1190,
&end
#
# 92 LEU QD1 93 SER HA 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1447, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1435,1436,1437,
&end
#
# 75 VAL QG1 79 LEU HA 5.9
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1188,1189,1190,
&end
#
# 148 ALA QB 149 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2341,2342,2343,
igr2=2360,2361,2362,
&end
#
# 148 ALA H 148 ALA QB 4.09
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2341,2342,2343,
&end
#
# 145 ASN H 148 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2341,2342,2343,
&end
#
# 161 VAL H 161 VAL QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat=2519, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2529,2530,2531,
&end
#
# 161 VAL QG2 180 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=2529,2530,2531,
igr2=2816,2817,2818,
&end
#
# 161 VAL QG2 162 TYR H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=2529,2530,2531,
&end
#
# 40 ARG H 41 VAL QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 651, 652, 653,
&end
#
# 93 SER HA 93 SER QB 3.32
&rst
ixpk= 0, nxpk= 0, iat=1447, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1449,1450,
&end
#
# 193 ALA QB 195 PHE H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,3043, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=3027,3028,3029,
&end
#
# 193 ALA QB 194 ALA HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,3035, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=3027,3028,3029,
&end
#
# 193 ALA H 193 ALA QB 4.04
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=3027,3028,3029,
&end
#
# 193 ALA QB 194 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,3033, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=3027,3028,3029,
&end
#
# 189 LYS HB2 193 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat=2968, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=3027,3028,3029,
&end
#
# 161 VAL QG2 162 TYR QD 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=2529,2530,2531,
igr2=2543,2552,
&end
#
# 161 VAL QG2 182 ASN HD21 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2854, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2529,2530,2531,
&end
#
# 41 VAL H 41 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 651, 652, 653,
&end
#
# 194 ALA QB 207 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=3037,3038,3039,
igr2=3269,3270,3271,
&end
#
# 12 TYR QD 117 ALA QB 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 187, 196,
igr2=1876,1877,1878,
&end
#
# 116 LEU QD1 117 ALA QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1862,1863,1864,
igr2=1876,1877,1878,
&end
#
# 135 VAL QG2 187 TYR QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=2160,2161,2162,
igr2=2934,2939,
&end
#
# 161 VAL QG2 182 ASN HA 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2846, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=2529,2530,2531,
&end
#
# 26 VAL HB 30 ILE QG2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 475, 476, 477,
&end
#
# 41 VAL QG2 71 LEU QQD 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
igr1= 651, 652, 653,
igr2=1124,1125,1126,1128,1129,1130,
&end
#
# 194 ALA QB 195 PHE H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,3043, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=3037,3038,3039,
&end
#
# 194 ALA H 194 ALA QB 3.95
&rst
ixpk= 0, nxpk= 0, iat=3033, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=3037,3038,3039,
&end
#
# 191 VAL HA 194 ALA QB 5.75
&rst
ixpk= 0, nxpk= 0, iat=2998, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=3037,3038,3039,
&end
#
# 117 ALA H 117 ALA QB 4.1
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1876,1877,1878,
&end
#
# 116 LEU QD2 117 ALA QB 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,
igr1=1866,1867,1868,
igr2=1876,1877,1878,
&end
#
# 135 VAL QG2 179 VAL H 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2794, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=2160,2161,2162,
&end
#
# 134 THR HA 135 VAL QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=2138, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2160,2161,2162,
&end
#
# 124 SER QB 150 ALA QB 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
igr1=1983,1984,
igr2=2370,2371,2372,
&end
#
# 157 PHE QD 190 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2477,2485,
igr2=2990,2991,2992,
&end
#
# 26 VAL QG1 30 ILE QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 409, 410, 411,
igr2= 475, 476, 477,
&end
#
# 123 ARG HA 123 ARG HD2 5.44
&rst
ixpk= 0, nxpk= 0, iat=1957,1965, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 150 ALA H 150 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat=2366, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=2370,2371,2372,
&end
#
# 150 ALA QB 160 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=2370,2371,2372,
igr2=2509,2510,2511,
&end
#
# 190 ALA H 190 ALA QB 4.13
&rst
ixpk= 0, nxpk= 0, iat=2986, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2990,2991,2992,
&end
#
# 187 TYR HA 190 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat=2926, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2990,2991,2992,
&end
#
# 123 ARG HA 124 SER QB 5.3
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1983,1984,
&end
#
# 150 ALA QB 151 ALA H 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2370,2371,2372,
&end
#
# 121 PHE QD 150 ALA QB 4.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1927,1935,
igr2=2370,2371,2372,
&end
#
# 147 GLU HA 150 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2370,2371,2372,
&end
#
# 157 PHE HA 157 PHE QD 4.68
&rst
ixpk= 0, nxpk= 0, iat=2471, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2477,2485,
&end
#
# 188 LEU HA 191 VAL H 5.14
&rst
ixpk= 0, nxpk= 0, iat=2947,2996, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 30 ILE HB 33 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 521, 522, 523,
&end
#
# 167 THR HA 174 ILE QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=2606, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2732,2733,2734,
&end
#
# 209 ILE QG2 210 ASP H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,3315, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=3302,3303,3304,
&end
#
# 33 ALA QB 34 GLY H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 521, 522, 523,
&end
#
# 33 ALA H 33 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 521, 522, 523,
&end
#
# 33 ALA QB 34 GLY QA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 521, 522, 523,
igr2= 529, 530,
&end
#
# 31 THR QG2 33 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1= 494, 495, 496,
igr2= 521, 522, 523,
&end
#
# 112 ILE H 112 ILE QG2 5.32
&rst
ixpk= 0, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1786,1787,1788,
&end
#
# 198 ILE QG2 199 LYS H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,3113, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=3100,3101,3102,
&end
#
# 3 TRP HZ2 198 ILE QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=3100,3101,3102,
&end
#
# 198 ILE QG2 198 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=3100,3101,3102,
igr2=3107,3108,3109,
&end
#
# 152 ILE QG2 198 ILE QG2 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2392,2393,2394,
igr2=3100,3101,3102,
&end
#
# 120 ASN HA 146 ALA QB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2316,2317,2318,
&end
#
# 146 ALA QB 163 ALA HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2558, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2316,2317,2318,
&end
#
# 121 PHE QB 146 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1923,1924,
igr2=2316,2317,2318,
&end
#
# 45 LEU QD1 46 SER HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 704, 705, 706,
&end
#
# 1 MET QE 157 PHE HA 5.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2471, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 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 2 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 15, 16, 17,
igr2= 27, 28, 29,
&end
#
# 151 ALA QB 152 ILE H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2386, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2380,2381,2382,
&end
#
# 148 ALA HA 151 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2380,2381,2382,
&end
#
# 150 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=2370,2371,2372,
igr2=2380,2381,2382,
&end
#
# 151 ALA QB 152 ILE QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,
igr1=2380,2381,2382,
igr2=2392,2393,2394,
&end
#
# 16 ILE QG2 17 TYR H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 256, 257, 258,
&end
#
# 16 ILE HA 16 ILE QG2 4.5
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 256, 257, 258,
&end
#
# 16 ILE QG2 16 ILE HG13 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 256, 257, 258,
&end
#
# 165 ILE H 165 ILE QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2579,2580,2581,
&end
#
# 143 MET HA 143 MET QE 4.65
&rst
ixpk= 0, nxpk= 0, iat=2264, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2273,2274,2275,
&end
#
# 1 MET QE 195 PHE H 5.3
&rst
ixpk= 0, nxpk= 0, iat= -1,3043, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 15, 16, 17,
&end
#
# 39 PHE QE 99 MET QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 607, 611,
igr2=1566,1567,1568,
&end
#
# 38 THR QG2 99 MET QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 589, 590, 591,
igr2=1566,1567,1568,
&end
#
# 16 ILE QG2 17 TYR HA 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 256, 257, 258,
&end
#
# 144 LEU H 165 ILE QG2 5.48
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2579,2580,2581,
&end
#
# 37 ASN HA 40 ARG H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 571, 617, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 143 MET H 143 MET QE 5.13
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2273,2274,2275,
&end
#
# 198 ILE H 206 LYS HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=3094,3243, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 3 TRP HE3 4 SER HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= 54, 61, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 4 SER HA 199 LYS HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat= 61,3118, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 198 ILE QD1 206 LYS HA 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,3243, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=3107,3108,3109,
&end
#
# 4 SER HA 199 LYS H 5.3
&rst
ixpk= 0, nxpk= 0, iat= 61,3113, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 199 LYS HA 200 THR QG2 5.77
&rst
ixpk= 0, nxpk= 0, iat=3115, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=3141,3142,3143,
&end
#
# 151 ALA HA 155 ASP H 5.23
&rst
ixpk= 0, nxpk= 0, iat=2378,2438, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 9 PRO HB2 10 ARG HA 5
&rst
ixpk= 0, nxpk= 0, iat= 134, 143, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 205 LYS HA 206 LYS QB 5.11
&rst
ixpk= 0, nxpk= 0, iat=3221, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=3245,3246,
&end
#
# 20 LYS HA 21 VAL QG1 5.89
&rst
ixpk= 0, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2= 340, 341, 342,
&end
#
# 33 ALA HA 36 VAL HB 4.53
&rst
ixpk= 0, nxpk= 0, iat= 519, 557, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 87 LEU HA 93 SER QB 5.06
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1449,1450,
&end
#
# 193 ALA HA 194 ALA HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=3025,3035, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 122 VAL QG2 124 SER HA 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1949,1950,1951,
&end
#
# 87 LEU HA 93 SER HA 4.09
&rst
ixpk= 0, nxpk= 0, iat=1365,1447, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 1 MET QE 193 ALA HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,3025, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 15, 16, 17,
&end
#
# 134 THR QG2 178 ARG HA 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,2772, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2142,2143,2144,
&end
#
# 133 ARG HA 187 TYR QE 5.38
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2934,2939,
&end
#
# 189 LYS HB3 190 ALA HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=2969,2988, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 83 SER QB 84 HIS HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1322, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1313,1314,
&end
#
# 157 PHE QD 190 ALA HA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2988, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=2477,2485,
&end
#
# 30 ILE QD1 33 ALA H 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1= 482, 483, 484,
&end
#
# 152 ILE QG2 198 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2392,2393,2394,
igr2=3107,3108,3109,
&end
#
# 152 ILE QG2 198 ILE QG1 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=2392,2393,2394,
igr2=3104,3105,
&end
#
# 26 VAL HB 30 ILE QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 482, 483, 484,
&end
#
# 30 ILE HA 30 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 482, 483, 484,
&end
#
# 30 ILE QD1 34 GLY H 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 527, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1= 482, 483, 484,
&end
#
# 149 LEU HA 152 ILE QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2399,2400,2401,
&end
#
# 152 ILE HA 152 ILE QD1 5
&rst
ixpk= 0, nxpk= 0, iat=2388, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2399,2400,2401,
&end
#
# 30 ILE QG2 30 ILE QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 475, 476, 477,
igr2= 482, 483, 484,
&end
#
# 30 ILE QD1 34 GLY QA 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 482, 483, 484,
igr2= 529, 530,
&end
#
# 152 ILE H 152 ILE QD1 4.6
&rst
ixpk= 0, nxpk= 0, iat=2386, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2399,2400,2401,
&end
#
# 152 ILE QD1 153 LEU H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=2399,2400,2401,
&end
#
# 152 ILE QD1 198 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=2399,2400,2401,
igr2=3107,3108,3109,
&end
#
# 191 VAL H 209 ILE QD1 5.68
&rst
ixpk= 0, nxpk= 0, iat=2996, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr2=3309,3310,3311,
&end
#
# 209 ILE HB 209 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat=3300, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=3309,3310,3311,
&end
#
# 67 LEU HA 68 VAL HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=1047,1066, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 23 LEU HA 111 VAL QG1 5.86
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr2=1770,1771,1772,
&end
#
# 23 LEU HA 112 ILE QD1 5.9
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr2=1793,1794,1795,
&end
#
# 16 ILE H 16 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 263, 264, 265,
&end
#
# 85 ASP HA 87 LEU H 4.9
&rst
ixpk= 0, nxpk= 0, iat=1339,1363, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 163 ALA HA 179 VAL QG2 5.71
&rst
ixpk= 0, nxpk= 0, iat=2558, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr2=2804,2805,2806,
&end
#
# 163 ALA HA 179 VAL HA 4.65
&rst
ixpk= 0, nxpk= 0, iat=2558,2796, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 160 VAL QG1 163 ALA HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2558, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2509,2510,2511,
&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
#
# 145 ASN H 165 ILE QD1 5.75
&rst
ixpk= 0, nxpk= 0, iat=2298, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2586,2587,2588,
&end
#
# 146 ALA QB 165 ILE QD1 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2316,2317,2318,
igr2=2586,2587,2588,
&end
#
# 167 THR HB 168 ASP H 5.17
&rst
ixpk= 0, nxpk= 0, iat=2608,2618, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 204 THR HB 205 LYS H 4.69
&rst
ixpk= 0, nxpk= 0, iat=3209,3219, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 35 LEU HA 38 THR HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 536, 587, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 37 ASN HB2 38 THR HB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 573, 587, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 36 VAL HA 39 PHE QD 5.36
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 605, 613,
&end
#
# 36 VAL HA 36 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 559, 560, 561,
&end
#
# 46 SER QB 68 VAL QG1 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 718, 719,
igr2=1070,1071,1072,
&end
#
# 190 ALA QB 191 VAL HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2998, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2990,2991,2992,
&end
#
# 4 SER QB 199 LYS QE 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 63, 64,
igr2=3126,3127,
&end
#
# 3 TRP HZ2 152 ILE HA 5.38
&rst
ixpk= 0, nxpk= 0, iat= 48,2388, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 40 ARG QG 41 VAL HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 624, 625,
&end
#
# 44 SER HA 44 SER HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 686, 689, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 86 PRO HA 87 LEU QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1372,1373,1374,
&end
#
# 88 SER HB2 92 LEU H 5.29
&rst
ixpk= 0, nxpk= 0, iat=1386,1426, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 192 SER HB2 193 ALA H 4.91
&rst
ixpk= 0, nxpk= 0, iat=3016,3023, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 44 SER HB2 70 GLU HG2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 688,1107, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 44 SER HB2 70 GLU HB2 5.2
&rst
ixpk= 0, nxpk= 0, iat= 688,1104, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 44 SER HB2 71 LEU QD2 5.08
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1128,1129,1130,
&end
#
# 44 SER HB3 70 GLU HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 689,1105, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 86 PRO HA 93 SER HA 3.87
&rst
ixpk= 0, nxpk= 0, iat=1359,1447, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 71 LEU HB2 74 SER HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat=1119,1176, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 73 LYS HG2 74 SER HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat=1156,1176, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 15 PRO HA 16 ILE QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 256, 257, 258,
&end
#
# 44 SER HB2 70 GLU H 4.16
&rst
ixpk= 0, nxpk= 0, iat= 688,1100, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 77 SER HB3 78 LEU H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1227,1233, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 19 CYS HA 75 VAL QG2 4.8
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1192,1193,1194,
&end
#
# 192 SER HB3 209 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat=3017, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=3309,3310,3311,
&end
#
# 81 ALA QB 82 CYS HA 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1300, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1292,1293,1294,
&end
#
# 162 TYR QE 179 VAL HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2545,2550,
&end
#
# 192 SER HA 193 ALA QB 5.78
&rst
ixpk= 0, nxpk= 0, iat=3014, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=3027,3028,3029,
&end
#
# 191 VAL QG1 192 SER HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,3014, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=3002,3003,3004,
&end
#
# 187 TYR HA 188 LEU QD1 5.63
&rst
ixpk= 0, nxpk= 0, iat=2926, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2=2954,2955,2956,
&end
#
# 44 SER HA 71 LEU QD2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1128,1129,1130,
&end
#
# 122 VAL HA 163 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1941,2556, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 122 VAL HA 162 TYR HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=1941,2537, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 185 ARG HA 188 LEU H 4.97
&rst
ixpk= 0, nxpk= 0, iat=2891,2945, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 44 SER HA 45 LEU HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= 686, 697, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 167 THR HA 175 GLY H 5.33
&rst
ixpk= 0, nxpk= 0, iat=2606,2745, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 70 GLU HA 71 LEU QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1128,1129,1130,
&end
#
# 73 LYS HA 73 LYS QD 5.35
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1159,1160,
&end
#
# 199 LYS HB3 200 THR HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=3118,3137, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 198 ILE QG2 200 THR HA 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,3137, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=3100,3101,3102,
&end
#
# 116 LEU HA 116 LEU QD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1855, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1866,1867,1868,
&end
#
# 76 ARG HA 79 LEU HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1200,1254, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 96 TYR HA 111 VAL QG1 5.6
&rst
ixpk= 0, nxpk= 0, iat=1494, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1770,1771,1772,
&end
#
# 78 LEU HA 82 CYS H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1235,1298, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 78 LEU HA 78 LEU QD2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1246,1247,1248,
&end
#
# 28 TRP HH2 98 LYS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= 448,1535, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 156 LEU HA 196 VAL QG1 5.17
&rst
ixpk= 0, nxpk= 0, iat=2452, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=3069,3070,3071,
&end
#
# 195 PHE HA 207 VAL QG1 5.57
&rst
ixpk= 0, nxpk= 0, iat=3045, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=3269,3270,3271,
&end
#
# 87 LEU HB2 88 SER HA 5.35
&rst
ixpk= 0, nxpk= 0, iat=1367,1384, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 88 SER HA 88 SER HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat=1384,1387, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 37 ASN HA 40 ARG QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 621, 622,
&end
#
# 45 LEU HA 45 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 708, 709, 710,
&end
#
# 4 SER HA 198 ILE QG2 5.83
&rst
ixpk= 0, nxpk= 0, iat= 61, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr2=3100,3101,3102,
&end
#
# 1 MET HA 1 MET QE 5.08
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 15, 16, 17,
&end
#
# 122 VAL QG1 124 SER HA 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1,1981, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1945,1946,1947,
&end
#
# 198 ILE QD1 205 LYS HA 5.52
&rst
ixpk= 0, nxpk= 0, iat= -1,3221, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=3107,3108,3109,
&end
#
# 92 LEU HA 92 LEU QD1 4.1
&rst
ixpk= 0, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1435,1436,1437,
&end
#
# 33 ALA HA 36 VAL QG1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 559, 560, 561,
&end
#
# 148 ALA HA 152 ILE QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2399,2400,2401,
&end
#
# 150 ALA HA 151 ALA HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=2368,2378, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 150 ALA HA 160 VAL QG1 4.9
&rst
ixpk= 0, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2509,2510,2511,
&end
#
# 150 ALA HA 179 VAL QG2 5.44
&rst
ixpk= 0, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=2804,2805,2806,
&end
#
# 28 TRP HH2 107 LYS HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 448,1696, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 67 LEU HA 68 VAL HB 5.04
&rst
ixpk= 0, nxpk= 0, iat=1047,1068, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 35 LEU QD1 67 LEU HA 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 543, 544, 545,
&end
#
# 23 LEU HA 111 VAL QG2 5.2
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1774,1775,1776,
&end
#
# 22 PHE QD 23 LEU HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 358, 366,
&end
#
# 161 VAL QG1 182 ASN HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2846, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2525,2526,2527,
&end
#
# 85 ASP HA 86 PRO HD2 4.11
&rst
ixpk= 0, nxpk= 0, iat=1339,1350, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 86 PRO HD2 87 LEU QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1372,1373,1374,
&end
#
# 188 LEU QD2 192 SER HB2 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,3016, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2958,2959,2960,
&end
#
# 192 SER HB3 209 ILE HB 5.35
&rst
ixpk= 0, nxpk= 0, iat=3017,3300, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 91 GLY QA 92 LEU HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1431, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1421,1422,
&end
#
# 71 LEU HB2 71 LEU QD2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1128,1129,1130,
&end
#
# 192 SER HB2 194 ALA H 5.33
&rst
ixpk= 0, nxpk= 0, iat=3016,3033, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 120 ASN QB 121 PHE H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1909,1910,
&end
#
# 120 ASN HA 164 GLY QA 5.22
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2568,2569,
&end
#
# 23 LEU HB2 111 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1774,1775,1776,
&end
#
# 76 ARG H 76 ARG QD 4.76
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1208,1209,
&end
#
# 36 VAL QG2 40 ARG QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 563, 564, 565,
igr2= 627, 628,
&end
#
# 185 ARG QD 186 SER H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2913, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2899,2900,
&end
#
# 185 ARG H 185 ARG QD 4.74
&rst
ixpk= 0, nxpk= 0, iat=2889, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2899,2900,
&end
#
# 185 ARG QD 188 LEU QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=2899,2900,
igr2=2954,2955,2956,
&end
#
# 123 ARG HG3 123 ARG QD 3.43
&rst
ixpk= 0, nxpk= 0, iat=1963, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1965,1966,
&end
#
# 185 ARG HA 185 ARG QD 4.55
&rst
ixpk= 0, nxpk= 0, iat=2891, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2899,2900,
&end
#
# 185 ARG QB 185 ARG QD 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=2893,2894,
igr2=2899,2900,
&end
#
# 185 ARG QG 185 ARG QD 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=2896,2897,
igr2=2899,2900,
&end
#
# 123 ARG HG2 123 ARG QD 3.18
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1965,1966,
&end
#
# 181 PHE QB 182 ASN HD21 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,2854, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2828,2829,
&end
#
# 144 LEU QB 148 ALA QB 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr1=2283,2284,
igr2=2341,2342,2343,
&end
#
# 73 LYS HB3 73 LYS QE 3.56
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1162,1163,
&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
#
# 88 SER HB3 92 LEU HB3 4.83
&rst
ixpk= 0, nxpk= 0, iat=1387,1431, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 199 LYS H 199 LYS QE 6
&rst
ixpk= 0, nxpk= 0, iat=3113, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=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
#
# 87 LEU H 87 LEU HB2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1363,1367, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 88 SER HB3 90 ASP HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat=1387,1412, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 188 LEU HB2 192 SER HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat=2949,3016, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 188 LEU HB2 188 LEU QD2 4.58
&rst
ixpk= 0, nxpk= 0, iat=2949, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2958,2959,2960,
&end
#
# 188 LEU HB2 189 LYS H 5.21
&rst
ixpk= 0, nxpk= 0, iat=2949,2964, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 90 ASP H 90 ASP HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1407,1411, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 116 LEU HB2 116 LEU QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1862,1863,1864,
&end
#
# 116 LEU HB3 116 LEU QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1862,1863,1864,
&end
#
# 3 TRP HZ2 155 ASP HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 48,2442, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 198 ILE HB 205 LYS QB 5.28
&rst
ixpk= 0, nxpk= 0, iat=3098, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=3223,3224,
&end
#
# 198 ILE HB 198 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=3098, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=3107,3108,3109,
&end
#
# 7 LEU QB 148 ALA HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 98, 99,
&end
#
# 161 VAL QG2 182 ASN QB 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1=2529,2530,2531,
igr2=2848,2849,
&end
#
# 37 ASN HB2 38 THR HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= 573, 585, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 37 ASN H 37 ASN HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 569, 574, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 108 GLU HG2 109 VAL H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1723,1731, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 198 ILE QD1 205 LYS QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
igr1=3107,3108,3109,
igr2=3223,3224,
&end
#
# 108 GLU H 108 GLU HG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1716,1723, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 70 GLU HG3 71 LEU H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 108 GLU H 108 GLU HG3 4.82
&rst
ixpk= 0, nxpk= 0, iat=1716,1724, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 70 GLU HG2 71 LEU QD2 6
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1128,1129,1130,
&end
#
# 70 GLU H 70 GLU HG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1100,1107, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 70 GLU H 70 GLU HG3 4.96
&rst
ixpk= 0, nxpk= 0, iat=1100,1108, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 70 GLU HA 70 GLU HG3 4.22
&rst
ixpk= 0, nxpk= 0, iat=1102,1108, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 GLU HG3 71 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1128,1129,1130,
&end
#
# 108 GLU HG3 109 VAL H 5.28
&rst
ixpk= 0, nxpk= 0, iat=1724,1731, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 30 ILE QD1 65 VAL HB 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1= 482, 483, 484,
&end
#
# 21 VAL HB 75 VAL QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=1192,1193,1194,
&end
#
# 72 GLU H 72 GLU HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1134,1141, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 16 ILE QG2 72 GLU HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 256, 257, 258,
&end
#
# 72 GLU HG3 75 VAL QG2 5.75
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=1192,1193,1194,
&end
#
# 16 ILE QG2 72 GLU HG3 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1142, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 256, 257, 258,
&end
#
# 72 GLU H 72 GLU HG3 5.32
&rst
ixpk= 0, nxpk= 0, iat=1134,1142, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 107 LYS QB 108 GLU H 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1716, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1698,1699,
&end
#
# 47 VAL HB 48 GLU H 5.24
&rst
ixpk= 0, nxpk= 0, iat= 729, 741, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 80 GLN HA 80 GLN HG2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1273,1278, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 80 GLN H 80 GLN HG3 4.19
&rst
ixpk= 0, nxpk= 0, iat=1271,1279, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 26 VAL QG2 109 VAL HB 5.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 413, 414, 415,
&end
#
# 4 SER QB 199 LYS HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,3117, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 63, 64,
&end
#
# 199 LYS HB3 204 THR QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=3118, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=3211,3212,3213,
&end
#
# 199 LYS HB3 200 THR H 4.84
&rst
ixpk= 0, nxpk= 0, iat=3118,3135, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 143 MET HA 143 MET HG3 4.68
&rst
ixpk= 0, nxpk= 0, iat=2264,2270, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 5 GLY QA 6 GLN QG 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 72, 73,
igr2= 84, 85,
&end
#
# 143 MET H 143 MET HG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=2262,2269, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 124 SER QB 161 VAL HB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2523, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1983,1984,
&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 HB3 107 LYS QB 4.93
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1698,1699,
&end
#
# 9 PRO HB2 10 ARG H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 134, 141, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 9 PRO HB3 10 ARG H 4.87
&rst
ixpk= 0, nxpk= 0, iat= 135, 141, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 73 LYS H 73 LYS HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat=1149,1154, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 191 VAL HB 192 SER H 4.97
&rst
ixpk= 0, nxpk= 0, iat=3000,3012, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 123 ARG QB 160 VAL QG1 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr1=1959,1960,
igr2=2509,2510,2511,
&end
#
# 123 ARG QB 124 SER QB 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1959,1960,
igr2=1983,1984,
&end
#
# 6 GLN HB2 7 LEU H 4.76
&rst
ixpk= 0, nxpk= 0, iat= 81, 94, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 6 GLN HB2 7 LEU HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= 81, 96, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 6 GLN H 6 GLN HB2 4.34
&rst
ixpk= 0, nxpk= 0, iat= 77, 81, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 70 GLU HB3 71 LEU QD2 5.35
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1128,1129,1130,
&end
#
# 41 VAL HB 74 SER HB2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 645,1175, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 44 SER HB2 70 GLU HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 688,1105, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 73 LYS H 73 LYS QD 4.94
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1159,1160,
&end
#
# 178 ARG H 178 ARG HG2 5.55
&rst
ixpk= 0, nxpk= 0, iat=2770,2777, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 178 ARG HG3 179 VAL H 5.38
&rst
ixpk= 0, nxpk= 0, iat=2778,2794, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 178 ARG H 178 ARG HG3 5.52
&rst
ixpk= 0, nxpk= 0, iat=2770,2778, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, &end
#
# 199 LYS HD3 204 THR QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat=3124, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=3211,3212,3213,
&end
#
# 185 ARG QB 188 LEU QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1=2893,2894,
igr2=2954,2955,2956,
&end
#
# 202 LYS QB 202 LYS QD 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=3167,3168,
igr2=3173,3174,
&end
#
# 199 LYS HD3 202 LYS H 5.3
&rst
ixpk= 0, nxpk= 0, iat=3124,3163, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 45 LEU QD2 46 SER H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 708, 709, 710,
&end
#
# 35 LEU QB 45 LEU QD2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 538, 539,
igr2= 708, 709, 710,
&end
#
# 38 THR QG2 45 LEU QD2 5.2
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.50, r4= 8.00,
igr1= 589, 590, 591,
igr2= 708, 709, 710,
&end
#
# 80 GLN H 80 GLN QB 3.72
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1275,1276,
&end
#
# 107 LYS HA 107 LYS QD 5.5
&rst
ixpk= 0, nxpk= 0, iat=1696, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1704,1705,
&end
#
# 202 LYS HA 202 LYS QD 3.85
&rst
ixpk= 0, nxpk= 0, iat=3165, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=3173,3174,
&end
#
# 19 CYS QB 75 VAL QG2 5.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 305, 306,
igr2=1192,1193,1194,
&end
#
# 123 ARG HG2 124 SER H 5.66
&rst
ixpk= 0, nxpk= 0, iat=1962,1979, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, &end
#
# 123 ARG HA 123 ARG HG2 4.2
&rst
ixpk= 0, nxpk= 0, iat=1957,1962, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 156 LEU QD2 157 PHE H 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2469, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2463,2464,2465,
&end
#
# 35 LEU QD1 39 PHE QE 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 543, 544, 545,
igr2= 607, 611,
&end
#
# 33 ALA QB 35 LEU QD1 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 521, 522, 523,
igr2= 543, 544, 545,
&end
#
# 156 LEU HA 156 LEU QD2 4.64
&rst
ixpk= 0, nxpk= 0, iat=2452, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2463,2464,2465,
&end
#
# 156 LEU QD2 196 VAL HB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,3067, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=2463,2464,2465,
&end
#
# 156 LEU QD2 196 VAL QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2463,2464,2465,
igr2=3069,3070,3071,
&end
#
# 86 PRO HG2 87 LEU QD1 5.28
&rst
ixpk= 0, nxpk= 0, iat=1353, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1372,1373,1374,
&end
#
# 88 SER HB2 92 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat=1386,1433, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 86 PRO HG2 87 LEU H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1353,1363, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 86 PRO HG3 87 LEU H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1354,1363, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 86 PRO HG3 87 LEU QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat=1354, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1372,1373,1374,
&end
#
# 7 LEU HG 151 ALA QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= 101, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2=2380,2381,2382,
&end
#
# 88 SER H 92 LEU HG 5.17
&rst
ixpk= 0, nxpk= 0, iat=1382,1433, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 16 ILE H 16 ILE HG13 4.93
&rst
ixpk= 0, nxpk= 0, iat= 250, 261, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 144 LEU QD1 203 PHE QD 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1=2288,2289,2290,
igr2=3193,3201,
&end
#
# 21 VAL HB 78 LEU QD2 5.8
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1246,1247,1248,
&end
#
# 144 LEU QD1 203 PHE QE 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=2288,2289,2290,
igr2=3195,3199,
&end
#
# 144 LEU QD1 152 ILE QD1 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
igr1=2288,2289,2290,
igr2=2399,2400,2401,
&end
#
# 76 ARG H 78 LEU QD2 5.58
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1246,1247,1248,
&end
#
# 75 VAL HA 78 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1246,1247,1248,
&end
#
# 75 VAL H 78 LEU QD2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1246,1247,1248,
&end
#
# 71 LEU H 71 LEU QD2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1128,1129,1130,
&end
#
# 71 LEU HB3 71 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1128,1129,1130,
&end
#
# 140 LEU H 140 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat=2219, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2228,2229,2230,
&end
#
# 43 GLY H 71 LEU QD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1128,1129,1130,
&end
#
# 45 LEU QD1 67 LEU QD2 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 704, 705, 706,
igr2=1058,1059,1060,
&end
#
# 71 LEU HA 71 LEU QD2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1128,1129,1130,
&end
#
# 3 TRP HZ3 7 LEU QD2 5.65
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2= 107, 108, 109,
&end
#
# 116 LEU HB3 116 LEU QD2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1866,1867,1868,
&end
#
# 185 ARG QD 188 LEU QD2 5.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=2899,2900,
igr2=2958,2959,2960,
&end
#
# 149 LEU QD1 164 GLY H 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2356,2357,2358,
&end
#
# 149 LEU QD1 165 ILE HB 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2577, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2356,2357,2358,
&end
#
# 23 LEU QD1 24 GLY H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 379, 380, 381,
&end
#
# 45 LEU QD1 67 LEU QD1 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=1054,1055,1056,
&end
#
# 188 LEU H 188 LEU QD2 4.71
&rst
ixpk= 0, nxpk= 0, iat=2945, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2958,2959,2960,
&end
#
# 188 LEU QD2 189 LYS H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2964, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2958,2959,2960,
&end
#
# 188 LEU HA 188 LEU QD2 4.79
&rst
ixpk= 0, nxpk= 0, iat=2947, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2958,2959,2960,
&end
#
# 144 LEU QD2 203 PHE QD 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2292,2293,2294,
igr2=3193,3201,
&end
#
# 140 LEU QD1 203 PHE QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2228,2229,2230,
igr2=3195,3199,
&end
#
# 76 ARG H 79 LEU QD2 5.66
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr2=1265,1266,1267,
&end
#
# 87 LEU H 87 LEU QD1 4.6
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1372,1373,1374,
&end
#
# 188 LEU HB3 188 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat=2950, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2958,2959,2960,
&end
#
# 87 LEU HA 87 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1372,1373,1374,
&end
#
# 153 LEU HA 153 LEU QD1 4.94
&rst
ixpk= 0, nxpk= 0, iat=2407, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2414,2415,2416,
&end
#
# 87 LEU HB2 87 LEU QD1 3.8
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1372,1373,1374,
&end
#
# 87 LEU HB3 87 LEU QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1372,1373,1374,
&end
#
# 153 LEU H 153 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat=2405, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2414,2415,2416,
&end
#
# 144 LEU QD2 148 ALA HA 5.7
&rst
ixpk= 0, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=2292,2293,2294,
&end
#
# 144 LEU QD2 148 ALA QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2292,2293,2294,
igr2=2341,2342,2343,
&end
#
# 129 LEU QD1 130 ASP H 5.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2065,2066,2067,
&end
#
# 129 LEU HA 129 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2065,2066,2067,
&end
#
# 129 LEU QD1 161 VAL QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
igr1=2065,2066,2067,
igr2=2529,2530,2531,
&end
#
# 76 ARG HA 79 LEU QD2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1265,1266,1267,
&end
#
# 79 LEU HA 79 LEU QD2 5.57
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1265,1266,1267,
&end
#
# 73 LYS HG3 73 LYS QE 3.92
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1162,1163,
&end
#
# 73 LYS HG3 73 LYS QD 3.15
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1159,1160,
&end
#
# 153 LEU QD1 190 ALA QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2414,2415,2416,
igr2=2990,2991,2992,
&end
#
# 144 LEU QD2 148 ALA H 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2292,2293,2294,
&end
#
# 79 LEU H 79 LEU QD2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1265,1266,1267,
&end
#
# 21 VAL QG1 67 LEU QD2 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
igr1= 340, 341, 342,
igr2=1058,1059,1060,
&end
#
# 67 LEU HA 67 LEU QD2 5.73
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=1058,1059,1060,
&end
#
# 67 LEU QD2 75 VAL HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1058,1059,1060,
&end
#
# 163 ALA QB 164 GLY H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2566, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2560,2561,2562,
&end
#
# 149 LEU QD1 163 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1=2356,2357,2358,
igr2=2560,2561,2562,
&end
#
# 163 ALA QB 179 VAL QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=2560,2561,2562,
igr2=2804,2805,2806,
&end
#
# 23 LEU QD1 109 VAL HB 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1735, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 379, 380, 381,
&end
#
# 150 ALA HA 163 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat=2368, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2560,2561,2562,
&end
#
# 160 VAL QG1 163 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=2509,2510,2511,
igr2=2560,2561,2562,
&end
#
# 153 LEU H 153 LEU QD2 5.3
&rst
ixpk= 0, nxpk= 0, iat=2405, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=2418,2419,2420,
&end
#
# 153 LEU QD2 154 ASN H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2424, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2418,2419,2420,
&end
#
# 180 THR QG2 181 PHE H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=2816,2817,2818,
&end
#
# 162 TYR H 180 THR QG2 5.75
&rst
ixpk= 0, nxpk= 0, iat=2535, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2816,2817,2818,
&end
#
# 162 TYR QD 163 ALA QB 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=2543,2552,
igr2=2560,2561,2562,
&end
#
# 129 LEU QD2 180 THR QG2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=2069,2070,2071,
igr2=2816,2817,2818,
&end
#
# 129 LEU QD1 134 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2065,2066,2067,
igr2=2142,2143,2144,
&end
#
# 129 LEU QD2 181 PHE H 5.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2824, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=2069,2070,2071,
&end
#
# 129 LEU QD2 130 ASP H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2069,2070,2071,
&end
#
# 129 LEU QD2 162 TYR QD 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2069,2070,2071,
igr2=2543,2552,
&end
#
# 78 LEU QD1 79 LEU H 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1242,1243,1244,
&end
#
# 75 VAL QG2 78 LEU QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1192,1193,1194,
igr2=1242,1243,1244,
&end
#
# 70 GLU H 71 LEU QD1 5.79
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
igr2=1124,1125,1126,
&end
#
# 35 LEU QD1 36 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 543, 544, 545,
igr2= 559, 560, 561,
&end
#
# 129 LEU QD2 134 THR QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1=2069,2070,2071,
igr2=2142,2143,2144,
&end
#
# 64 TYR H 65 VAL QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1018,1019,1020,
&end
#
# 71 LEU H 71 LEU QD1 4.6
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1124,1125,1126,
&end
#
# 71 LEU QD1 74 SER H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1124,1125,1126,
&end
#
# 71 LEU HA 71 LEU QD1 4.15
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1124,1125,1126,
&end
#
# 71 LEU HB3 71 LEU QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1124,1125,1126,
&end
#
# 71 LEU QD1 73 LYS HG3 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1124,1125,1126,
&end
#
# 75 VAL H 75 VAL QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1192,1193,1194,
&end
#
# 75 VAL QG2 76 ARG H 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1192,1193,1194,
&end
#
# 161 VAL HA 161 VAL QG1 4.3
&rst
ixpk= 0, nxpk= 0, iat=2521, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2525,2526,2527,
&end
#
# 161 VAL QG1 182 ASN QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2525,2526,2527,
igr2=2848,2849,
&end
#
# 161 VAL QG1 162 TYR H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2535, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2525,2526,2527,
&end
#
# 6 GLN H 7 LEU QD1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 103, 104, 105,
&end
#
# 7 LEU QD1 152 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 103, 104, 105,
igr2=2392,2393,2394,
&end
#
# 72 GLU HA 75 VAL QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1192,1193,1194,
&end
#
# 75 VAL HA 75 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1192,1193,1194,
&end
#
# 188 LEU QD1 189 LYS H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2964, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2954,2955,2956,
&end
#
# 156 LEU QB 156 LEU QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2454,2455,
igr2=2459,2460,2461,
&end
#
# 26 VAL QG1 65 VAL QG1 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 409, 410, 411,
igr2=1014,1015,1016,
&end
#
# 149 LEU H 149 LEU QD2 4.97
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2360,2361,2362,
&end
#
# 149 LEU QD2 152 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=2360,2361,2362,
igr2=2399,2400,2401,
&end
#
# 179 VAL QG2 180 THR HB 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=2804,2805,2806,
&end
#
# 156 LEU H 156 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2459,2460,2461,
&end
#
# 21 VAL QG2 22 PHE H 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 344, 345, 346,
&end
#
# 21 VAL QG2 113 PRO HA 5.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1= 344, 345, 346,
&end
#
# 21 VAL QG2 75 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 344, 345, 346,
igr2=1192,1193,1194,
&end
#
# 21 VAL QG2 67 LEU QD2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 344, 345, 346,
igr2=1058,1059,1060,
&end
#
# 160 VAL QG1 161 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2509,2510,2511,
&end
#
# 156 LEU QD1 196 VAL H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,3063, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2459,2460,2461,
&end
#
# 1 MET QE 156 LEU QD1 4.3
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 15, 16, 17,
igr2=2459,2460,2461,
&end
#
# 156 LEU QD1 196 VAL HB 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,3067, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2459,2460,2461,
&end
#
# 160 VAL QG1 179 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2509,2510,2511,
igr2=2804,2805,2806,
&end
#
# 191 VAL QG1 209 ILE H 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,3296, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=3002,3003,3004,
&end
#
# 191 VAL QG1 192 SER H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,3012, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=3002,3003,3004,
&end
#
# 187 TYR QE 191 VAL QG1 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=2934,2939,
igr2=3002,3003,3004,
&end
#
# 191 VAL QG1 209 ILE QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=3002,3003,3004,
igr2=3302,3303,3304,
&end
#
# 188 LEU H 191 VAL QG1 5.64
&rst
ixpk= 0, nxpk= 0, iat=2945, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=3002,3003,3004,
&end
#
# 188 LEU HA 191 VAL QG1 4.7
&rst
ixpk= 0, nxpk= 0, iat=2947, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=3002,3003,3004,
&end
#
# 47 VAL H 47 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 731, 732, 733,
&end
#
# 21 VAL QG1 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= 340, 341, 342,
igr2=1054,1055,1056,
&end
#
# 46 SER HA 47 VAL QG1 5.51
&rst
ixpk= 0, nxpk= 0, iat= 716, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 731, 732, 733,
&end
#
# 97 PHE QD 111 VAL QG1 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1=1521,1529,
igr2=1770,1771,1772,
&end
#
# 115 VAL H 115 VAL QG1 4.97
&rst
ixpk= 0, nxpk= 0, iat=1837, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1843,1844,1845,
&end
#
# 67 LEU H 67 LEU QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1054,1055,1056,
&end
#
# 35 LEU QD2 67 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 547, 548, 549,
igr2=1054,1055,1056,
&end
#
# 45 LEU QD2 67 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 708, 709, 710,
igr2=1054,1055,1056,
&end
#
# 199 LYS HA 204 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=3115, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=3211,3212,3213,
&end
#
# 2 THR QG2 3 TRP H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 27, 28, 29,
&end
#
# 2 THR H 2 THR QG2 4.8
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 27, 28, 29,
&end
#
# 198 ILE HA 204 THR QG2 5.3
&rst
ixpk= 0, nxpk= 0, iat=3096, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=3211,3212,3213,
&end
#
# 2 THR QG2 197 GLU HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,3083, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 27, 28, 29,
&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
#
# 36 VAL QG2 37 ASN H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 563, 564, 565,
&end
#
# 36 VAL QG2 45 LEU QD2 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr1= 563, 564, 565,
igr2= 708, 709, 710,
&end
#
# 207 VAL H 207 VAL QG2 5.6
&rst
ixpk= 0, nxpk= 0, iat=3263, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=3273,3274,3275,
&end
#
# 196 VAL QG1 197 GLU H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,3079, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=3069,3070,3071,
&end
#
# 135 VAL QG2 137 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=2160,2161,2162,
igr2=2192,2193,2194,
&end
#
# 79 LEU QD2 111 VAL QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1265,1266,1267,
igr2=1774,1775,1776,
&end
#
# 115 VAL QG1 117 ALA H 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1872, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1843,1844,1845,
&end
#
# 115 VAL QG1 117 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=1843,1844,1845,
igr2=1876,1877,1878,
&end
#
# 204 THR H 204 THR QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=3205, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=3211,3212,3213,
&end
#
# 2 THR HA 2 THR QG2 4.2
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 27, 28, 29,
&end
#
# 109 VAL H 109 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat=1731, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1737,1738,1739,
&end
#
# 99 MET H 109 VAL QG1 5.19
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1737,1738,1739,
&end
#
# 28 TRP HH2 109 VAL QG1 4.9
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1737,1738,1739,
&end
#
# 26 VAL QG1 109 VAL QG1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 409, 410, 411,
igr2=1737,1738,1739,
&end
#
# 122 VAL QG2 123 ARG H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1949,1950,1951,
&end
#
# 122 VAL QG2 162 TYR QD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1949,1950,1951,
igr2=2543,2552,
&end
#
# 122 VAL QG2 123 ARG HA 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1949,1950,1951,
&end
#
# 137 VAL QG1 210 ASP H 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,3315, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2192,2193,2194,
&end
#
# 122 VAL QG1 163 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1945,1946,1947,
igr2=2560,2561,2562,
&end
#
# 200 THR QG2 203 PHE QE 5.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=3141,3142,3143,
igr2=3195,3199,
&end
#
# 38 THR QG2 39 PHE H 5.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 589, 590, 591,
&end
#
# 38 THR HA 38 THR QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 589, 590, 591,
&end
#
# 80 GLN HG2 81 ALA QB 5.73
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=1292,1293,1294,
&end
#
# 122 VAL QG1 123 ARG H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1955, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1945,1946,1947,
&end
#
# 38 THR QG2 67 LEU QD2 5.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.60, r4= 9.10,
igr1= 589, 590, 591,
igr2=1058,1059,1060,
&end
#
# 68 VAL QG1 69 PHE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1070,1071,1072,
&end
#
# 78 LEU HA 81 ALA QB 4.9
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1292,1293,1294,
&end
#
# 80 GLN QB 81 ALA QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1275,1276,
igr2=1292,1293,1294,
&end
#
# 78 LEU QD2 81 ALA QB 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr1=1246,1247,1248,
igr2=1292,1293,1294,
&end
#
# 78 LEU QD1 81 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1242,1243,1244,
igr2=1292,1293,1294,
&end
#
# 122 VAL QG1 162 TYR HA 5.2
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1945,1946,1947,
&end
#
# 77 SER HB3 81 ALA QB 5.85
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
igr2=1292,1293,1294,
&end
#
# 80 GLN HA 81 ALA QB 5.52
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=1292,1293,1294,
&end
#
# 75 VAL H 75 VAL QG1 4.96
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1188,1189,1190,
&end
#
# 75 VAL QG1 76 ARG HA 5.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1188,1189,1190,
&end
#
# 75 VAL QG1 79 LEU QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1188,1189,1190,
igr2=1256,1257,
&end
#
# 75 VAL QG1 79 LEU QD2 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1188,1189,1190,
igr2=1265,1266,1267,
&end
#
# 75 VAL QG1 79 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=1188,1189,1190,
igr2=1261,1262,1263,
&end
#
# 40 ARG HA 41 VAL QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 647, 648, 649,
&end
#
# 26 VAL QG2 65 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 413, 414, 415,
igr2=1014,1015,1016,
&end
#
# 79 LEU QD1 111 VAL QG1 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,
igr1=1261,1262,1263,
igr2=1770,1771,1772,
&end
#
# 79 LEU QD1 80 GLN H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1261,1262,1263,
&end
#
# 189 LYS HB3 193 ALA QB 5.76
&rst
ixpk= 0, nxpk= 0, iat=2969, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr2=3027,3028,3029,
&end
#
# 148 ALA QB 151 ALA QB 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr1=2341,2342,2343,
igr2=2380,2381,2382,
&end
#
# 161 VAL QG2 182 ASN H 5.2
&rst
ixpk= 0, nxpk= 0, iat= -1,2844, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2529,2530,2531,
&end
#
# 160 VAL HA 161 VAL QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat=2505, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2529,2530,2531,
&end
#
# 26 VAL QG2 30 ILE QG2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
igr1= 413, 414, 415,
igr2= 475, 476, 477,
&end
#
# 26 VAL H 26 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 413, 414, 415,
&end
#
# 26 VAL QG2 109 VAL QG1 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 413, 414, 415,
igr2=1737,1738,1739,
&end
#
# 26 VAL QG2 65 VAL QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 413, 414, 415,
igr2=1018,1019,1020,
&end
#
# 40 ARG HA 41 VAL QG2 5.67
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 651, 652, 653,
&end
#
# 46 SER QB 68 VAL QG2 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 718, 719,
igr2=1074,1075,1076,
&end
#
# 190 ALA H 193 ALA QB 4.81
&rst
ixpk= 0, nxpk= 0, iat=2986, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=3027,3028,3029,
&end
#
# 192 SER HB3 193 ALA QB 5.82
&rst
ixpk= 0, nxpk= 0, iat=3017, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=3027,3028,3029,
&end
#
# 190 ALA HA 193 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat=2988, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=3027,3028,3029,
&end
#
# 190 ALA QB 193 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1=2990,2991,2992,
igr2=3027,3028,3029,
&end
#
# 193 ALA HA 194 ALA QB 5.54
&rst
ixpk= 0, nxpk= 0, iat=3025, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=3037,3038,3039,
&end
#
# 156 LEU QD2 194 ALA QB 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2463,2464,2465,
igr2=3037,3038,3039,
&end
#
# 194 ALA QB 195 PHE HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,3045, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=3037,3038,3039,
&end
#
# 116 LEU HB2 117 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=1857, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1876,1877,1878,
&end
#
# 134 THR H 135 VAL QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat=2136, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=2160,2161,2162,
&end
#
# 135 VAL H 135 VAL QG2 5.04
&rst
ixpk= 0, nxpk= 0, iat=2150, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2160,2161,2162,
&end
#
# 29 ASP H 30 ILE QG2 5.4
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 475, 476, 477,
&end
#
# 41 VAL QG2 42 PHE H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 657, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 651, 652, 653,
&end
#
# 174 ILE QG2 176 SER H 5.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2752, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=2732,2733,2734,
&end
#
# 152 ILE QD1 207 VAL QG1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1=2399,2400,2401,
igr2=3269,3270,3271,
&end
#
# 196 VAL H 207 VAL QG1 5.17
&rst
ixpk= 0, nxpk= 0, iat=3063, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=3269,3270,3271,
&end
#
# 41 VAL QG2 73 LYS HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 651, 652, 653,
&end
#
# 150 ALA QB 151 ALA HA 5.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2378, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=2370,2371,2372,
&end
#
# 150 ALA QB 179 VAL QG2 5.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.61, r4= 9.11,
igr1=2370,2371,2372,
igr2=2804,2805,2806,
&end
#
# 174 ILE H 174 ILE QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat=2726, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=2732,2733,2734,
&end
#
# 189 LYS H 190 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat=2964, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2990,2991,2992,
&end
#
# 181 PHE QE 190 ALA QB 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2834,2838,
igr2=2990,2991,2992,
&end
#
# 33 ALA QB 36 VAL H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 521, 522, 523,
&end
#
# 22 PHE QD 112 ILE QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 358, 366,
igr2=1786,1787,1788,
&end
#
# 167 THR HB 174 ILE QG2 5.14
&rst
ixpk= 0, nxpk= 0, iat=2608, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2732,2733,2734,
&end
#
# 174 ILE QG2 175 GLY H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2745, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=2732,2733,2734,
&end
#
# 193 ALA H 209 ILE QG2 5.29
&rst
ixpk= 0, nxpk= 0, iat=3023, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=3302,3303,3304,
&end
#
# 209 ILE QG2 209 ILE QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=3302,3303,3304,
igr2=3309,3310,3311,
&end
#
# 137 VAL QG1 209 ILE QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2192,2193,2194,
igr2=3302,3303,3304,
&end
#
# 191 VAL HB 209 ILE QG2 5.78
&rst
ixpk= 0, nxpk= 0, iat=3000, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=3302,3303,3304,
&end
#
# 33 ALA QB 35 LEU H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 521, 522, 523,
&end
#
# 33 ALA QB 36 VAL HB 5
&rst
ixpk= 0, nxpk= 0, iat= -1, 557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 521, 522, 523,
&end
#
# 33 ALA QB 37 ASN HD22 5.8
&rst
ixpk= 0, nxpk= 0, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 521, 522, 523,
&end
#
# 147 GLU HA 151 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat=2324, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=2380,2381,2382,
&end
#
# 151 ALA QB 153 LEU H 5.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2405, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=2380,2381,2382,
&end
#
# 121 PHE H 146 ALA QB 4.56
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2316,2317,2318,
&end
#
# 120 ASN QB 146 ALA QB 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1909,1910,
igr2=2316,2317,2318,
&end
#
# 198 ILE QG2 205 LYS H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=3100,3101,3102,
&end
#
# 152 ILE HB 198 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=2390, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=3100,3101,3102,
&end
#
# 1 MET QE 196 VAL H 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,3063, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 157 PHE H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2469, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 156 LEU HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 15, 16, 17,
&end
#
# 1 MET QE 196 VAL QG1 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 15, 16, 17,
igr2=3069,3070,3071,
&end
#
# 1 MET QE 156 LEU QD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 15, 16, 17,
igr2=2463,2464,2465,
&end
#
# 1 MET QE 156 LEU QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 15, 16, 17,
igr2=2454,2455,
&end
#
# 16 ILE QG2 17 TYR QD 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1= 256, 257, 258,
igr2= 277, 286,
&end
#
# 16 ILE QG2 16 ILE HG12 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 260, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 256, 257, 258,
&end
#
# 143 MET HG2 143 MET QE 4.49
&rst
ixpk= 0, nxpk= 0, iat=2269, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2273,2274,2275,
&end
#
# 143 MET HG3 143 MET QE 4.39
&rst
ixpk= 0, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2273,2274,2275,
&end
#
# 143 MET HB2 143 MET QE 4.12
&rst
ixpk= 0, nxpk= 0, iat=2266, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2273,2274,2275,
&end
#
# 143 MET HB3 143 MET QE 4.41
&rst
ixpk= 0, nxpk= 0, iat=2267, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2273,2274,2275,
&end
#
# 35 LEU H 99 MET QE 5.42
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1566,1567,1568,
&end
#
# 35 LEU QB 99 MET QE 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
igr1= 538, 539,
igr2=1566,1567,1568,
&end
#
# 99 MET QE 109 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1566,1567,1568,
igr2=1737,1738,1739,
&end
#
# 165 ILE QG2 166 ASP H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2579,2580,2581,
&end
#
# 30 ILE H 30 ILE QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 482, 483, 484,
&end
#
# 149 LEU HA 152 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat=2349, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=2392,2393,2394,
&end
#
# 30 ILE QD1 31 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 482, 483, 484,
&end
#
# 30 ILE QD1 35 LEU QD2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1= 482, 483, 484,
igr2= 547, 548, 549,
&end
#
# 26 VAL QG2 30 ILE QD1 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
igr1= 413, 414, 415,
igr2= 482, 483, 484,
&end
#
# 198 ILE H 198 ILE QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat=3094, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=3107,3108,3109,
&end
#
# 198 ILE QD1 207 VAL H 5.57
&rst
ixpk= 0, nxpk= 0, iat= -1,3263, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=3107,3108,3109,
&end
#
# 198 ILE HA 198 ILE QD1 5
&rst
ixpk= 0, nxpk= 0, iat=3096, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=3107,3108,3109,
&end
#
# 152 ILE QD1 198 ILE QG2 5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2399,2400,2401,
igr2=3100,3101,3102,
&end
#
# 152 ILE QD1 198 ILE QG1 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
igr1=2399,2400,2401,
igr2=3104,3105,
&end
#
# 149 LEU QD2 152 ILE QG2 5.1
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=2360,2361,2362,
igr2=2392,2393,2394,
&end
#
# 209 ILE H 209 ILE QD1 5.16
&rst
ixpk= 0, nxpk= 0, iat=3296, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=3309,3310,3311,
&end
#
# 3 TRP HZ2 152 ILE QD1 5.75
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2=2399,2400,2401,
&end
#
# 191 VAL HB 209 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=3000, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=3309,3310,3311,
&end
#
# 174 ILE QD1 176 SER H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2752, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2739,2740,2741,
&end
#
# 22 PHE QD 112 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
igr1= 358, 366,
igr2=1793,1794,1795,
&end
#
# 112 ILE H 112 ILE QD1 5.58
&rst
ixpk= 0, nxpk= 0, iat=1780, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1793,1794,1795,
&end
#
# 112 ILE QG2 112 ILE QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1786,1787,1788,
igr2=1793,1794,1795,
&end
#
# 16 ILE QD1 17 TYR H 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 263, 264, 265,
&end
#
# 16 ILE HA 16 ILE QD1 5
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 263, 264, 265,
&end
#
# 16 ILE HB 16 ILE QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 263, 264, 265,
&end
#
# 16 ILE QG2 16 ILE QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 256, 257, 258,
igr2= 263, 264, 265,
&end
#
# 165 ILE H 165 ILE QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2586,2587,2588,
&end
#
# 146 ALA H 165 ILE QD1 5.18
&rst
ixpk= 0, nxpk= 0, iat=2312, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2586,2587,2588,
&end
#
# 149 LEU QD2 165 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1=2360,2361,2362,
igr2=2586,2587,2588,
&end
#
# 165 ILE QD1 166 ASP H 5.4
&rst
ixpk= 0, nxpk= 0, iat= -1,2592, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2586,2587,2588,
&end
#
# 79 LEU QD1 95 TYR QD 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1261,1262,1263,
igr2=1479,1488,
&end
#
# 162 TYR QD 180 THR QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=2543,2552,
igr2=2816,2817,2818,
&end
#
# 162 TYR QD 179 VAL HA 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2796, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2543,2552,
&end
#
# 162 TYR HA 162 TYR QD 4.39
&rst
ixpk= 0, nxpk= 0, iat=2537, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2543,2552,
&end
#
# 162 TYR QD 180 THR HB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2814, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2543,2552,
&end
#
# 17 TYR QD 115 VAL QG1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 277, 286,
igr2=1843,1844,1845,
&end
#
# 129 LEU QD1 162 TYR QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2065,2066,2067,
igr2=2543,2552,
&end
#
# 179 VAL QG1 181 PHE QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=2800,2801,2802,
igr2=2832,2840,
&end
#
# 181 PHE QD 187 TYR HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2926, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2832,2840,
&end
#
# 12 TYR H 12 TYR QD 4.55
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 187, 196,
&end
#
# 187 TYR QD 191 VAL QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2932,2941,
igr2=3002,3003,3004,
&end
#
# 187 TYR QD 188 LEU HB2 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2949, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2932,2941,
&end
#
# 187 TYR QD 188 LEU QD1 3.9
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=2932,2941,
igr2=2954,2955,2956,
&end
#
# 181 PHE QD 181 PHE HZ 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2836, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=2832,2840,
&end
#
# 203 PHE HA 203 PHE QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3187, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=3193,3201,
&end
#
# 195 PHE HA 195 PHE QD 4.47
&rst
ixpk= 0, nxpk= 0, iat=3045, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=3051,3059,
&end
#
# 203 PHE QD 205 LYS QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=3193,3201,
igr2=3223,3224,
&end
#
# 198 ILE QG2 203 PHE QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=3100,3101,3102,
igr2=3193,3201,
&end
#
# 200 THR QG2 203 PHE QD 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=3141,3142,3143,
igr2=3193,3201,
&end
#
# 203 PHE QD 205 LYS H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,3219, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=3193,3201,
&end
#
# 39 PHE QD 45 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 605, 613,
igr2= 708, 709, 710,
&end
#
# 39 PHE QD 99 MET QE 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 605, 613,
igr2=1566,1567,1568,
&end
#
# 121 PHE QD 122 VAL H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1939, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1927,1935,
&end
#
# 39 PHE QE 78 LEU QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 607, 611,
igr2=1242,1243,1244,
&end
#
# 198 ILE QG2 203 PHE QE 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=3100,3101,3102,
igr2=3195,3199,
&end
#
# 181 PHE HZ 190 ALA QB 4.83
&rst
ixpk= 0, nxpk= 0, iat=2836, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=2990,2991,2992,
&end
#
# 3 TRP HD1 156 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2459,2460,2461,
&end
#
# 3 TRP HH2 7 LEU QD1 4.45
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 103, 104, 105,
&end
#
# 3 TRP HZ3 4 SER HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= 52, 61, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 3 TRP HZ3 198 ILE QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=3100,3101,3102,
&end
#
# 187 TYR QE 188 LEU H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2945, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=2934,2939,
&end
#
# 12 TYR QE 116 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 189, 194,
igr2=1862,1863,1864,
&end
#
# 12 TYR QE 117 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 189, 194,
igr2=1876,1877,1878,
&end
#
# 79 LEU QD1 95 TYR QE 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1261,1262,1263,
igr2=1481,1486,
&end
#
# 162 TYR QE 164 GLY QA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=2545,2550,
igr2=2568,2569,
&end
#
# 120 ASN QB 162 TYR QE 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1909,1910,
igr2=2545,2550,
&end
#
# 181 PHE QD 182 ASN HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2846, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2832,2840,
&end
#
# 181 PHE QD 191 VAL QG1 5.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=2832,2840,
igr2=3002,3003,3004,
&end
#
# 33 ALA HA 37 ASN HD21 5.38
&rst
ixpk= 0, nxpk= 0, iat= 519, 579, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 41 VAL HA 42 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 665, 673,
&end
#
# 28 TRP HA 28 TRP HE3 6
&rst
ixpk= 0, nxpk= 0, iat= 435, 452, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 39 PHE QD 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= 605, 613,
igr2= 704, 705, 706,
&end
#
# 39 PHE QD 78 LEU QD1 5.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr1= 605, 613,
igr2=1242,1243,1244,
&end
#
# 136 PHE QD 178 ARG HA 5.7
&rst
ixpk= 0, nxpk= 0, iat= -1,2772, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2174,2182,
&end
#
# 3 TRP HE3 198 ILE HA 5.75
&rst
ixpk= 0, nxpk= 0, iat= 54,3096, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 136 PHE QD 178 ARG HG3 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2778, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2174,2182,
&end
#
# 3 TRP HZ2 7 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 103, 104, 105,
&end
#
# 3 TRP HE3 5 GLY HA2 5.57
&rst
ixpk= 0, nxpk= 0, iat= 54, 72, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, &end
#
# 3 TRP HZ2 152 ILE QG2 5.62
&rst
ixpk= 0, nxpk= 0, iat= 48, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=2392,2393,2394,
&end
#
# 157 PHE QD 189 LYS HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2968, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=2477,2485,
&end
#
# 194 ALA HA 195 PHE QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=3035, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=3051,3059,
&end
#
# 181 PHE QD 182 ASN HD22 6
&rst
ixpk= 0, nxpk= 0, iat= -1,2853, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2832,2840,
&end
#
# 84 HIS HA 96 TYR QD 5.76
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1500,1509,
&end
#
# 17 TYR QD 115 VAL HB 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 277, 286,
&end
#
# 17 TYR QD 75 VAL QG1 5.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 277, 286,
igr2=1188,1189,1190,
&end
#
# 97 PHE QD 111 VAL QG2 5.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr1=1521,1529,
igr2=1774,1775,1776,
&end
#
# 97 PHE HA 97 PHE QD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1515, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=1521,1529,
&end
#
# 120 ASN QB 162 TYR QD 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1909,1910,
igr2=2543,2552,
&end
#
# 181 PHE QD 187 TYR QD 5.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=2832,2840,
igr2=2932,2941,
&end
#
# 33 ALA HA 37 ASN HD22 4.92
&rst
ixpk= 0, nxpk= 0, iat= 519, 578, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 203 PHE QE 205 LYS QB 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=3195,3199,
igr2=3223,3224,
&end
#
# 3 TRP HH2 152 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2392,2393,2394,
&end
#
# 3 TRP HH2 4 SER HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= 50, 61, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 84 HIS HB3 96 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1502,1507,
&end
#
# 3 TRP HH2 198 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=3100,3101,3102,
&end
#
# 162 TYR HA 162 TYR QE 5.21
&rst
ixpk= 0, nxpk= 0, iat=2537, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2545,2550,
&end
#
# 203 PHE QD 204 THR QG2 6
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1=3193,3201,
igr2=3211,3212,3213,
&end
#
# 3 TRP HZ3 4 SER QB 6
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 63, 64,
&end
#
# 3 TRP HZ3 7 LEU QD1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 103, 104, 105,
&end
#
# 3 TRP HZ3 152 ILE QG2 6
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2392,2393,2394,
&end
#
# 97 PHE HA 108 GLU HG2 6
&rst
ixpk= 0, nxpk= 0, iat=1515,1723, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 203 PHE QE 204 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3195,3199,
&end
#
# 199 LYS HA 204 THR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=3115,3207, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 198 ILE HA 204 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat=3096,3207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 196 VAL HA 197 GLU HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat=3065,3083, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 2 THR HA 3 TRP HD1 6
&rst
ixpk= 0, nxpk= 0, iat= 23, 43, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 162 TYR HA 163 ALA HA 5.55
&rst
ixpk= 0, nxpk= 0, iat=2537,2558, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, &end
#
# 205 LYS HA 206 LYS HA 6
&rst
ixpk= 0, nxpk= 0, iat=3221,3243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 205 LYS QD 206 LYS HA 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,3243, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=3229,3230,
&end
#
# 84 HIS HA 86 PRO HD3 5.91
&rst
ixpk= 0, nxpk= 0, iat=1322,1351, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, &end
#
# 84 HIS HA 96 TYR QE 6
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1502,1507,
&end
#
# 21 VAL QG1 113 PRO HA 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1= 340, 341, 342,
&end
#
# 135 VAL HA 178 ARG HA 6
&rst
ixpk= 0, nxpk= 0, iat=2152,2772, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HA 71 LEU QD2 5.98
&rst
ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr2=1128,1129,1130,
&end
#
# 4 SER HA 198 ILE HA 6
&rst
ixpk= 0, nxpk= 0, iat= 61,3096, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 45 LEU HA 46 SER HA 6
&rst
ixpk= 0, nxpk= 0, iat= 697, 716, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 206 LYS QB 207 VAL HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3265, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=3245,3246,
&end
#
# 137 VAL HA 209 ILE HB 6
&rst
ixpk= 0, nxpk= 0, iat=2188,3300, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 17 TYR QD 114 TRP HA 5.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 277, 286,
&end
#
# 114 TRP HA 115 VAL HB 6
&rst
ixpk= 0, nxpk= 0, iat=1815,1841, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 180 THR HA 181 PHE QD 6
&rst
ixpk= 0, nxpk= 0, iat=2812, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2832,2840,
&end
#
# 3 TRP HZ3 200 THR HA 6
&rst
ixpk= 0, nxpk= 0, iat= 52,3137, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 4 SER HA 200 THR HA 5.48
&rst
ixpk= 0, nxpk= 0, iat= 61,3137, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 180 THR HA 181 PHE QB 4.32
&rst
ixpk= 0, nxpk= 0, iat=2812, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2828,2829,
&end
#
# 162 TYR QE 163 ALA HA 5.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2558, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1=2545,2550,
&end
#
# 71 LEU HA 73 LYS HG3 5.86
&rst
ixpk= 0, nxpk= 0, iat=1117,1157, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 203 PHE QE 205 LYS HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,3221, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=3195,3199,
&end
#
# 204 THR QG2 205 LYS HA 6
&rst
ixpk= 0, nxpk= 0, iat= -1,3221, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=3211,3212,3213,
&end
#
# 182 ASN HA 182 ASN HD21 5.86
&rst
ixpk= 0, nxpk= 0, iat=2846,2854, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &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,
rk2=20, rk3=20, ir6=1, ialtd=0,
&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
#
# 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
#
# 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
#
# 17 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= 279, 284,
igr2=1843,1844,1845,
&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
#
# 119 SER H 114 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=1894,1823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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
#
# 146 ALA QB 121 PHE H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2316,2317,2318,
&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
#
# 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
#
# 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
#
# 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
#
# 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
#
# 5 GLY H 3 TRP HZ3 5.0
&rst
ixpk= 0, nxpk= 0, iat= 70, 52, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 114 TRP HE1 119 SER H 5.0
&rst
ixpk= 0, nxpk= 0, iat=1823,1894, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &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
#
# 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
#
# 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
#
# 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
#
# 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
#
# 79 LEU QD1 114 TRP H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1261,1262,1263,
&end
#
# 79 LEU QD2 114 TRP H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1813, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1265,1266,1267,
&end
#
# 69 PHE QD 67 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=1088,1096,
igr2=1058,1059,1060,
&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
#
# 45 LEU QD1 67 LEU QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 704, 705, 706,
igr2=1054,1055,1056,
&end
#
# 67 LEU QD1 39 PHE QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1054,1055,1056,
igr2= 605, 613,
&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
#
# 119 SER H 114 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat=1894,1823, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 167 THR QG2 114 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2610,2611,2612,
&end
#
# 173 PRO QD 114 TRP HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1823, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2713,2714,
&end
#
# 17 TYR QE 114 TRP H 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,1813, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 279, 284,
&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
#
# 143 MET QE 112 ILE QD1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=2273,2274,2275,
igr2=1793,1794,1795,
&end
#
# 68 VAL QG1 170 HIS HE1 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1,2661, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1070,1071,1072,
&end
#
# 143 MET QE 203 PHE QD 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2273,2274,2275,
igr2=3193,3201,
&end
#
# 143 MET QE 203 PHE QE 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2273,2274,2275,
igr2=3195,3199,
&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
#
# 174 ILE QD1 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=2739,2740,2741,
&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
#
# 214 URA H5 104 MET QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=3395, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
rk2=50, rk3=50, ir6=1, ialtd=0,
igr2=1653,1654,1655,
&end
#
# 214 URA H6 104 MET QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=3393, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1653,1654,1655,
&end
#
# 214 URA H5 28 TRP HZ2 4.5
&rst
ixpk= 0, nxpk= 0, iat=3395, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H5' 64 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=3384, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 995,1004,
&end
#
# 214 URA H5' 64 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3384, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 997,1002,
&end
#
# 214 URA H5" 64 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=3385, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 995,1004,
&end
#
# 214 URA H5" 64 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3385, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 997,1002,
&end
#
# 214 URA H4' 64 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=3387, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 995,1004,
&end
#
# 214 URA H4' 64 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3387, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 997,1002,
&end
#
# 214 URA H5 104 MET QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=3395, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1653,1654,1655,
&end
#
# 214 URA H6 104 MET QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=3393, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1653,1654,1655,
&end
#
# 214 URA H5' 107 LYS QE 4
&rst
ixpk= 0, nxpk= 0, iat=3384, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1707,1708,
&end
#
# 214 URA H5" 107 LYS QE 4
&rst
ixpk= 0, nxpk= 0, iat=3385, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1707,1708,
&end
#
# 214 URA H5" 107 LYS QD 4
&rst
ixpk= 0, nxpk= 0, iat=3385, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1704,1705,
&end
#
# 214 URA H5' 107 LYS QE 4
&rst
ixpk= 0, nxpk= 0, iat=3384, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1707,1708,
&end
#
# 214 URA H5" 62 LYS QE 4
&rst
ixpk= 0, nxpk= 0, iat=3385, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 971, 972,
&end
#
# 214 URA H4' 62 LYS QE 4
&rst
ixpk= 0, nxpk= 0, iat=3387, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 971, 972,
&end
#
# 214 URA H4' 107 LYS QD 4
&rst
ixpk= 0, nxpk= 0, iat=3387, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1704,1705,
&end
#
# 214 URA H1' 107 LYS QE 4
&rst
ixpk= 0, nxpk= 0, iat=3390, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1707,1708,
&end
#
# 214 URA H1' 107 LYS QD 4
&rst
ixpk= 0, nxpk= 0, iat=3390, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1704,1705,
&end
#
# 214 URA H1' 107 LYS QG 5
&rst
ixpk= 0, nxpk= 0, iat=3390, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1701,1702,
&end
#
# 214 URA H5 107 LYS QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=3395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1707,1708,
&end
#
# 214 URA H5 107 LYS QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1704,1705,
&end
#
# 214 URA H6 107 LYS QE 4
&rst
ixpk= 0, nxpk= 0, iat=3393, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1707,1708,
&end
#
# 214 URA H6 107 LYS QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3393, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1704,1705,
&end
#
# 215 URA H1' 22 PHE QE 3.5
&rst
ixpk= 0, nxpk= 0, iat=3420, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 360, 364,
&end
#
# 215 URA H1' 64 TYR QD 5.5
&rst
ixpk= 0, nxpk= 0, iat=3420, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995,1004,
&end
#
# 215 URA H4' 64 TYR QD 3.5
&rst
ixpk= 0, nxpk= 0, iat=3417, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 995,1004,
&end
#
# 215 URA H4' 64 TYR QE 3.5
&rst
ixpk= 0, nxpk= 0, iat=3417, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 997,1002,
&end
#
# 215 URA H4' 22 PHE HZ 4.0
&rst
ixpk= 0, nxpk= 0, iat=3417, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 215 URA H4' 64 TYR QB 4.0
&rst
ixpk= 0, nxpk= 0, iat=3417, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 991, 992,
&end
#
# 215 URA H3' 64 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=3433, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 995,1004,
&end
#
# 215 URA H3' 64 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3433, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 997,1002,
&end
#
# 215 URA H6 96 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3423, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1502,1507,
&end
#
# 215 URA H5 96 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3425, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1502,1507,
&end
#
# 215 URA H6 24 GLY QA 4.5
&rst
ixpk= 0, nxpk= 0, iat=3423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 391, 392,
&end
#
# 215 URA H5" 64 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3415, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 997,1002,
&end
#
# 215 URA H5' 64 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3414, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 997,1002,
&end
#
# 216 URA H1' 66 TYR QE 3.5
&rst
ixpk= 0, nxpk= 0, iat=3450, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1034,1039,
&end
#
# 216 URA H1' 66 TYR QD 4.0
&rst
ixpk= 0, nxpk= 0, iat=3450, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1032,1041,
&end
#
# 216 URA H1' 22 PHE HZ 4.0
&rst
ixpk= 0, nxpk= 0, iat=3450, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 216 URA H1' 22 PHE QE 4.0
&rst
ixpk= 0, nxpk= 0, iat=3450, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 360, 364,
&end
#
# 216 URA H4' 64 TYR QD 3.5
&rst
ixpk= 0, nxpk= 0, iat=3447, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 995,1004,
&end
#
# 216 URA H4' 64 TYR QE 3.5
&rst
ixpk= 0, nxpk= 0, iat=3447, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 997,1002,
&end
#
# 216 URA H4' 22 PHE QE 4.0
&rst
ixpk= 0, nxpk= 0, iat=3447, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 360, 364,
&end
#
# 216 URA H3' 64 TYR QE 5.0
&rst
ixpk= 0, nxpk= 0, iat=3463, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 997,1002,
&end
#
# 216 URA H3' 64 TYR QD 5.0
&rst
ixpk= 0, nxpk= 0, iat=3463, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 995,1004,
&end
#
# 216 URA Q5' 22 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=3444,3445,
igr2= 360, 364,
&end
#
# 216 URA H1' 22 PHE QB 4.0
&rst
ixpk= 0, nxpk= 0, iat=3450, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 354, 355,
&end
#
# 216 URA H4' 64 TYR HA 5.0
&rst
ixpk= 0, nxpk= 0, iat=3447, 989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 216 URA H5 22 PHE QD 4.0
&rst
ixpk= 0, nxpk= 0, iat=3455, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 358, 366,
&end
#
# 216 URA H5 112 ILE QD1 4.5
&rst
ixpk= 0, nxpk= 0, iat=3455, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1793,1794,1795,
&end
#
# 216 URA H5 143 MET QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=3455, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2273,2274,2275,
&end
#
# 216 URA H5 141 HIS HE1 4.5
&rst
ixpk= 0, nxpk= 0, iat=3455,2247, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H1' 50 PRO HA 4.5
&rst
ixpk= 0, nxpk= 0, iat=3480, 790, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H1' 50 PRO HB2 4.0
&rst
ixpk= 0, nxpk= 0, iat=3480, 787, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 217 URA H1' 50 PRO HB3 4.0
&rst
ixpk= 0, nxpk= 0, iat=3480, 788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 217 URA H4' 50 PRO HB2 4.5
&rst
ixpk= 0, nxpk= 0, iat=3477, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H4' 50 PRO HB3 4.5
&rst
ixpk= 0, nxpk= 0, iat=3477, 788, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H1' 50 PRO QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3480, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 781, 782,
&end
#
# 217 URA H1' 66 TYR QE 4.0
&rst
ixpk= 0, nxpk= 0, iat=3480, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1034,1039,
&end
#
# 217 URA H5 66 TYR QE 4.0
&rst
ixpk= 0, nxpk= 0, iat=3485, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1034,1039,
&end
#
# 217 URA H6 66 TYR QE 4.0
&rst
ixpk= 0, nxpk= 0, iat=3483, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1034,1039,
&end
#
# 217 URA H3 48 GLU QG 4.0
&rst
ixpk= 0, nxpk= 0, iat=3489, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 748, 749,
&end
#
# 217 URA H3 66 TYR QE 4.0
&rst
ixpk= 0, nxpk= 0, iat=3489, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1034,1039,
&end
#
# 217 URA H3 67 LEU H 4.5
&rst
ixpk= 0, nxpk= 0, iat=3489,1045, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 218 RADE H8 136 PHE QE 4.5
&rst
ixpk= 0, nxpk= 0, iat=3513, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2176,2180,
&end
#
# 218 RADE H8 136 PHE QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3513, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2174,2182,
&end
#
# 218 RADE H2 212 TYR QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3522, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=3349,3358,
&end
#
# 218 RADE H2 212 TYR QE 3.5
&rst
ixpk= 0, nxpk= 0, iat=3522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=3351,3356,
&end
#
# 218 RADE H1' 176 SER QB 4.5
&rst
ixpk= 0, nxpk= 0, iat=3510, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2756,2757,
&end
#
# 218 RADE H1' 178 ARG QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3510, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2780,2781,
&end
#
# 218 RADE H1' 136 PHE QD 4.5
&rst
ixpk= 0, nxpk= 0, iat=3510, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2174,2182,
&end
#
# 218 RADE H1' 136 PHE QB 4.5
&rst
ixpk= 0, nxpk= 0, iat=3510, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2170,2171,
&end
#
# 214 URA H6 214 URA H5 3.5
&rst
ixpk= 0, nxpk= 0, iat=3393,3395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=50, rk3=50, ir6=1, ialtd=0,
&end
#
# 214 URA H6 214 URA H1' 4.0
&rst
ixpk= 0, nxpk= 0, iat=3393,3390, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 214 URA H6 214 URA H3' 4.0
&rst
ixpk= 0, nxpk= 0, iat=3393,3403, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 214 URA H6 214 URA H2' 3.5
&rst
ixpk= 0, nxpk= 0, iat=3393,3405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 214 URA H6 214 URA H5' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3393,3384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H6 214 URA H5" 4.5
&rst
ixpk= 0, nxpk= 0, iat=3393,3385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H1' 214 URA H2' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3390,3405, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H1' 214 URA H4' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3390,3387, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H3' 214 URA H2' 5.0
&rst
ixpk= 0, nxpk= 0, iat=3403,3405, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 214 URA H3' 214 URA H4' 5.0
&rst
ixpk= 0, nxpk= 0, iat=3403,3387, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 214 URA H3' 214 URA H5' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3403,3384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H3' 214 URA H5" 4.5
&rst
ixpk= 0, nxpk= 0, iat=3403,3385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H4' 214 URA H5' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3387,3384, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 214 URA H4' 214 URA H5" 4.5
&rst
ixpk= 0, nxpk= 0, iat=3387,3385, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 215 URA H6 215 URA H1' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3423,3420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 215 URA H6 215 URA H2' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3423,3435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 215 URA H1' 215 URA H4' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3420,3417, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 215 URA H2' 215 URA H1' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3435,3420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 215 URA H6 215 URA Q5' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3423, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=3414,3415,
&end
#
# 215 URA H1' 216 URA H6 4.5
&rst
ixpk= 0, nxpk= 0, iat=3420,3453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 216 URA H6 216 URA H2' 4.0
&rst
ixpk= 0, nxpk= 0, iat=3453,3465, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 216 URA H1' 216 URA H4' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3450,3447, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 216 URA H1' 216 URA H2' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3450,3465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 216 URA H3' 216 URA H6 4.5
&rst
ixpk= 0, nxpk= 0, iat=3463,3453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H6 217 URA H1' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3483,3480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H6 217 URA H5 3.5
&rst
ixpk= 0, nxpk= 0, iat=3483,3485, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 217 URA H6 217 URA H2' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3483,3495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H6 217 URA Q5' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3483, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=3474,3475,
&end
#
# 217 URA H1' 217 URA H2' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3480,3495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H1' 217 URA H4' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3480,3477, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H2' 217 URA H3' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3495,3493, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 217 URA H2' 217 URA Q5' 4.0
&rst
ixpk= 0, nxpk= 0, iat=3495, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=3474,3475,
&end
#
# 217 URA H3' 217 URA H6 4.0
&rst
ixpk= 0, nxpk= 0, iat=3493,3483, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 217 URA H6 216 URA H1' 5.0
&rst
ixpk= 0, nxpk= 0, iat=3483,3450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 218 RADE H8 218 RADE H1' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3513,3510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 218 RADE H8 218 RADE H2' 4.0
&rst
ixpk= 0, nxpk= 0, iat=3513,3528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 218 RADE H8 218 RADE H3' 4.0
&rst
ixpk= 0, nxpk= 0, iat=3513,3526, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 218 RADE H8 218 RADE H5' 4.0
&rst
ixpk= 0, nxpk= 0, iat=3513,3504, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 218 RADE H8 218 RADE H5" 4.0
&rst
ixpk= 0, nxpk= 0, iat=3513,3505, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 218 RADE H1' 218 RADE H2' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3510,3528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 218 RADE H1' 218 RADE H4' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3510,3507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 218 RADE H2' 218 RADE H3' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3528,3526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 218 RADE H3' 218 RADE H4' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3526,3507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 218 RADE H4' 218 RADE H5' 4.5
&rst
ixpk= 0, nxpk= 0, iat=3507,3504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 218 RADE H2 218 RADE H1' 5.0
&rst
ixpk= 0, nxpk= 0, iat=3522,3510, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
Contact the webmaster for help, if required. Wednesday, May 1, 2024 11:21:07 PM GMT (wattos1)