NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15871 |
1z2e   |
6075 | cing | 1-original | 3 | AMBER | distance | general distance | simple |
#
# 33 LYS+ HN 4 LYS+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 510, 70, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80,
rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
&end
#
# 6 ILE HN 33 LYS+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 91, 530, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 35 TYR HN 6 ILE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 548, 108, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 8 PHE HN 35 TYR O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 131, 567, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 37 ALA HN 8 PHE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 580, 149, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 10 CYS HN 37 ALA O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 170, 588, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 7 TYR HN 77 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 110,1168, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 79 VAL HN 7 TYR O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1186, 129, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 9 LEU HN 79 VAL O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 151,1200, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 78 VAL HN 97 LYS+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1170,1454, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 99 GLU- HN 78 VAL O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1480,1184, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 80 THR HN 99 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1202,1493, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 21 GLU- HN 17 SER O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 317, 271, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 22 GLY HN 18 GLN O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 332, 288, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 23 TRP HN 19 MET O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 339, 305, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 24 ALA HN 20 ALA O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 363, 315, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 25 LYS+ HN 21 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 373, 330, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 51 ALA HN 47 ASN O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 774, 724, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 52 MET HN 48 ALA O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 784, 734, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 53 LYS+ HN 49 VAL O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 801, 750, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 118 ALA HN 114 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1774,1711, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 119 PHE HN 115 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1784,1726, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 120 PHE HN 116 LYS+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1804,1748, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 121 GLN HN 117 TRP O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1824,1772, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 122 ARG+ HN 118 ALA O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1841,1782, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 123 VAL HN 119 PHE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1865,1802, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 124 ARG+ HN 120 PHE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1881,1822, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 125 ASP- HN 121 GLN O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1905,1839, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 126 GLU- HN 122 ARG+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1917,1863, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 127 ILE HN 123 VAL O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1932,1879, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 128 GLY HN 124 ARG+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1951,1903, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 129 ASN HN 125 ASP- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1958,1915, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 130 ARG+ HN 126 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1972,1930, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 131 LEU HN 127 ILE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1996,1949, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 132 LYS+ HN 128 GLY O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=2015,1956, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 33 LYS+ N 4 LYS+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 509, 70, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 6 ILE N 33 LYS+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 90, 530, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 35 TYR N 6 ILE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 547, 108, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 8 PHE N 35 TYR O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 130, 567, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 37 ALA N 8 PHE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 579, 149, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 10 CYS N 37 ALA O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 169, 588, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 7 TYR N 77 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 109,1168, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 79 VAL N 7 TYR O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1185, 129, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 9 LEU N 79 VAL O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 150,1200, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 78 VAL N 97 LYS+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1169,1454, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 99 GLU- N 78 VAL O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1479,1184, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 80 THR N 99 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1201,1493, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 21 GLU- N 17 SER O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 316, 271, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 22 GLY N 18 GLN O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 331, 288, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 23 TRP N 19 MET O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 338, 305, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 24 ALA N 20 ALA O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 362, 315, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 25 LYS+ N 21 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 372, 330, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 51 ALA N 47 ASN O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 773, 724, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 52 MET N 48 ALA O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 783, 734, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 53 LYS+ N 49 VAL O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 800, 750, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 118 ALA N 114 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1773,1711, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 119 PHE N 115 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1783,1726, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 120 PHE N 116 LYS+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1803,1748, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 121 GLN N 117 TRP O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1823,1772, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 122 ARG+ N 118 ALA O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1840,1782, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 123 VAL N 119 PHE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1864,1802, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 124 ARG+ N 120 PHE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1880,1822, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 125 ASP- N 121 GLN O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1904,1839, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 126 GLU- N 122 ARG+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1916,1863, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 127 ILE N 123 VAL O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1931,1879, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 128 GLY N 124 ARG+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1950,1903, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 129 ASN N 125 ASP- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1957,1915, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 130 ARG+ N 126 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1971,1930, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 131 LEU N 127 ILE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1995,1949, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 132 LYS+ N 128 GLY O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=2014,1956, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 10 CYS HA 10 CYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 170, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 10 CYS HA 10 CYS QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 174, 175,
&end
#
# 11 THR HN 10 CYS HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 CYS HA 12 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 THR QG2 10 CYS HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1208,1209,1210,
&end
#
# 10 CYS HA 81 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 172,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 CYS HA 82 CYX HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 172,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 CYS QB 10 CYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 174, 175,
&end
#
# 10 CYS HN 11 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 170, 181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ALA HN 10 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 580, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ALA QB 10 CYS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 584, 585, 586,
&end
#
# 10 CYS HN 38 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 592, 593,
&end
#
# 10 CYS HN 39 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 170, 597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 CYS HN 9 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 170, 153, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 LEU HG 10 CYS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, 170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU HN 10 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 151, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU QB 10 CYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 155, 156,
&end
#
# 9 LEU QQD 10 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 10 CYS QB 11 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 174, 175,
&end
#
# 10 CYS QB 12 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 174, 175,
&end
#
# 10 CYS QB 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 174, 175,
&end
#
# 17 SER QB 10 CYS QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 266, 267,
igr2= 174, 175,
&end
#
# 10 CYS QB 81 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 81 LEU QB 10 CYS QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1220,1221,
igr2= 174, 175,
&end
#
# 81 LEU QQD 10 CYS QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1225,1226,1227,1229,1230,1231,
igr2= 174, 175,
&end
#
# 100 HIS HA 100 HIS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 HIS QB 100 HIS HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1499,1500,
&end
#
# 101 TRP HN 100 HIS HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1512,1497, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 HIS HA 102 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 HIS HA 79 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 80 THR HN 100 HIS HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1202,1497, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 HIS HA 82 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 HIS HA 99 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 HIS HE1 101 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1505,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 HIS HE1 102 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1505,1536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 HIS HE1 83 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1505,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 HIS QB 100 HIS HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1499,1500,
&end
#
# 101 TRP HD1 100 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1520,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 HIS HN 101 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1495,1522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 TRP HN 100 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1512,1495, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL QQG 100 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 99 GLU- HA 100 HIS HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1482,1495, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 99 GLU- QB 100 HIS HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1484,1485,
&end
#
# 99 GLU- QG 100 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1495, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1487,1488,
&end
#
# 100 HIS QB 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1499,1500,
&end
#
# 100 HIS QB 80 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1499,1500,
&end
#
# 101 TRP HA 101 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1514,1512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 TRP HA 102 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1514,1536, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 TRP HD1 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1520,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 TRP HD1 102 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1520,1536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HZ2 101 TRP HE1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1525,1522, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 TRP QB 101 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1516,1517,
&end
#
# 134 PHE QB 101 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2056,2057,
&end
#
# 77 LEU QQD 101 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 79 VAL QQG 101 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 101 TRP HE1 99 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1522,1480, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 101 TRP HE1 99 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1484,1485,
&end
#
# 99 GLU- QG 101 TRP HE1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1487,1488,
&end
#
# 101 TRP HH2 131 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1527,1996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 TRP HH2 131 LEU QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2000,2001,
&end
#
# 101 TRP HH2 131 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2005,2006,2007,2009,2010,2011,
&end
#
# 101 TRP HH2 132 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1527,2015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HH2 134 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1527,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP QB 101 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1516,1517,
&end
#
# 101 TRP HN 102 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1512,1536, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 GLY QA 101 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1538,1539,
&end
#
# 79 VAL QQG 101 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 80 THR HA 101 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1204,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 THR HN 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1202,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 LEU HA 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 LEU HG 101 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1223,1512, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLU- QB 101 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1484,1485,
&end
#
# 101 TRP HZ2 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1525,2052, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HZ2 77 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 101 TRP HZ2 99 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1487,1488,
&end
#
# 101 TRP HZ3 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1529,1972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 TRP QB 102 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1516,1517,
&end
#
# 103 PHE HZ 101 TRP QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1516,1517,
&end
#
# 101 TRP QB 79 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1516,1517,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 101 TRP QB 81 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1516,1517,
&end
#
# 101 TRP QB 81 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1516,1517,
&end
#
# 102 GLY QA 102 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1538,1539,
&end
#
# 81 LEU HA 102 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 GLY QA 102 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1536, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1247,1248,
&end
#
# 102 GLY QA 103 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1538,1539,
&end
#
# 102 GLY QA 83 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1538,1539,
&end
#
# 102 GLY QA 83 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1538,1539,
igr2=1247,1248,
&end
#
# 103 PHE HA 103 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1545,1543, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 PHE HA 104 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1545,1563, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 PHE HA 83 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1545,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE QB 103 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1547,1548,
&end
#
# 103 PHE HN 104 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1543,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE QD1 103 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1945,1946,1947,
&end
#
# 16 ARG+ QD 103 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 81 LEU HA 103 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 LEU QB 103 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1220,1221,
&end
#
# 103 PHE HN 83 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1543,1245, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 GLY QA 103 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1247,1248,
&end
#
# 84 ASP- HN 103 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1252,1543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 PHE HZ 123 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1555, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 103 PHE HZ 127 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1555,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE HZ 81 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1555,1223, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 103 PHE QB 104 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1547,1548,
&end
#
# 103 PHE QB 123 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1547,1548,
&end
#
# 103 PHE QB 123 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1547,1548,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 103 PHE QE 123 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1553,1557,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 104 ASP- HN 104 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1563,1565, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ASP- QB 104 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1567,1568,
&end
#
# 105 ASP- HN 104 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1575,1565, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 108 ARG+ QG 104 ASP- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1618,1619,
&end
#
# 104 ASP- HA 84 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1256,1257,
&end
#
# 104 ASP- HA 85 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1565,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 ASP- HN 104 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1567,1568,
&end
#
# 104 ASP- HN 105 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1563,1575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 ASP- HN 123 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 16 ARG+ QD 104 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 83 GLY HN 104 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1245,1563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 GLY QA 104 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1563, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1247,1248,
&end
#
# 104 ASP- QB 105 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1567,1568,
&end
#
# 104 ASP- QB 123 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1567,1568,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 105 ASP- HA 105 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1577,1575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ASP- HA 105 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1579,1580,
&end
#
# 106 PRO QD 105 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1588,1589,
&end
#
# 105 ASP- HA 106 PRO QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1591,1592,
&end
#
# 105 ASP- HA 107 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1577,1601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ASP- HA 108 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1577,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG+ QD 105 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 248, 249,
&end
#
# 16 ARG+ QG 105 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 246,
&end
#
# 105 ASP- QB 105 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1579,1580,
&end
#
# 106 PRO QD 105 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1588,1589,
&end
#
# 107 ALA HN 105 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1601,1575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ARG+ HN 105 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1611,1575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ARG+ QB 105 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1615,1616,
&end
#
# 108 ARG+ QD 105 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1621,1622,
&end
#
# 108 ARG+ QG 105 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1575, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1618,1619,
&end
#
# 105 ASP- HN 83 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1575,1245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ASP- HN 84 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1575,1252, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 105 ASP- HN 84 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1256,1257,
&end
#
# 105 ASP- QB 107 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1579,1580,
&end
#
# 105 ASP- QB 108 ARG+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1579,1580,
igr2=1618,1619,
&end
#
# 105 ASP- QB 15 CYS HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1579,1580,
&end
#
# 83 GLY HN 105 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1245, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1579,1580,
&end
#
# 105 ASP- QB 84 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1579,1580,
igr2=1256,1257,
&end
#
# 106 PRO QB 106 PRO HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1594,1595,
&end
#
# 106 PRO HA 107 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1597,1601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 ARG+ HN 106 PRO HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1611,1597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 ALA HN 106 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1635,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 ALA QB 106 PRO HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1597, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1639,1640,1641,
&end
#
# 106 PRO HA 123 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 106 PRO QG 106 PRO QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1591,1592,
igr2=1594,1595,
&end
#
# 106 PRO QB 107 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1594,1595,
&end
#
# 108 ARG+ HN 106 PRO QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1594,1595,
&end
#
# 106 PRO QB 109 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1594,1595,
igr2=1639,1640,1641,
&end
#
# 106 PRO QB 119 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1594,1595,
&end
#
# 106 PRO QB 119 PHE QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1594,1595,
igr2=1788,1789,
&end
#
# 106 PRO QB 120 PHE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1594,1595,
&end
#
# 106 PRO QB 120 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1594,1595,
&end
#
# 106 PRO QB 122 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1594,1595,
&end
#
# 106 PRO QB 123 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1594,1595,
&end
#
# 47 ASN QD2 106 PRO QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 721, 722,
igr2=1594,1595,
&end
#
# 106 PRO QD 106 PRO QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1588,1589,
igr2=1591,1592,
&end
#
# 107 ALA HN 106 PRO QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1588,1589,
&end
#
# 106 PRO QD 123 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1588,1589,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 106 PRO QG 107 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1591,1592,
&end
#
# 106 PRO QG 120 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1591,1592,
&end
#
# 106 PRO QG 122 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1591,1592,
&end
#
# 106 PRO QG 123 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1591,1592,
&end
#
# 106 PRO QG 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1591,1592,
&end
#
# 106 PRO QG 123 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1591,1592,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 106 PRO QG 16 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1591,1592,
&end
#
# 19 MET QG 106 PRO QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 297, 298,
igr2=1591,1592,
&end
#
# 107 ALA HN 107 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1601,1603, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 ALA HA 107 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1605,1606,1607,
&end
#
# 108 ARG+ HN 107 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1611,1603, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 107 ALA HA 109 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1603,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ALA HA 116 LYS+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1735,1736,
&end
#
# 120 PHE HZ 107 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1816,1603, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 107 ALA HA 45 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 693, 694,
&end
#
# 47 ASN QD2 107 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 721, 722,
&end
#
# 107 ALA HN 107 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1605,1606,1607,
&end
#
# 107 ALA HN 108 ARG+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1601,1611, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 107 ALA HN 109 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1601,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 ALA QB 107 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1639,1640,1641,
&end
#
# 120 PHE HZ 107 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1816,1601, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 CYS QB 107 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 231, 232,
&end
#
# 45 ASN QD2 107 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1601, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 693, 694,
&end
#
# 107 ALA QB 108 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1605,1606,1607,
&end
#
# 108 ARG+ QB 107 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1615,1616,
igr2=1605,1606,1607,
&end
#
# 109 ALA HN 107 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1605,1606,1607,
&end
#
# 120 PHE HZ 107 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1605,1606,1607,
&end
#
# 45 ASN QD2 107 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 693, 694,
igr2=1605,1606,1607,
&end
#
# 108 ARG+ HN 108 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1611,1613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 ARG+ HA 108 ARG+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1615,1616,
&end
#
# 108 ARG+ QD 108 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1621,1622,
&end
#
# 108 ARG+ HA 108 ARG+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1618,1619,
&end
#
# 109 ALA HN 108 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1635,1613, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 108 ARG+ HA 110 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1657,1658,
&end
#
# 108 ARG+ QB 108 ARG+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1615,1616,
&end
#
# 108 ARG+ HN 108 ARG+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1621,1622,
&end
#
# 108 ARG+ QG 108 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1618,1619,
&end
#
# 109 ALA HA 108 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1637,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 108 ARG+ HN 109 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1611,1635, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 108 ARG+ HN 110 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1611,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ QE 108 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1741,1742,
&end
#
# 108 ARG+ HN 119 PHE QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1788,1789,
&end
#
# 108 ARG+ QB 108 ARG+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1615,1616,
igr2=1621,1622,
&end
#
# 108 ARG+ QB 108 ARG+ QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1615,1616,
igr2=1618,1619,
&end
#
# 108 ARG+ QB 109 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1615,1616,
&end
#
# 108 ARG+ QB 110 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1615,1616,
igr2=1657,1658,
&end
#
# 108 ARG+ QD 108 ARG+ QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1621,1622,
igr2=1618,1619,
&end
#
# 108 ARG+ QD 86 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1621,1622,
&end
#
# 108 ARG+ QD 86 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1621,1622,
igr2=1278,1279,1280,
&end
#
# 108 ARG+ QG 109 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1618,1619,
&end
#
# 109 ALA QB 108 ARG+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1639,1640,1641,
igr2=1618,1619,
&end
#
# 109 ALA HN 109 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1635,1637, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 ALA HA 109 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1639,1640,1641,
&end
#
# 110 GLN HN 109 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1645,1637, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 109 ALA HA 110 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1657,1658,
&end
#
# 109 ALA HA 110 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1652,1653,
&end
#
# 116 LYS+ HA 109 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1637, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 ALA HN 109 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1639,1640,1641,
&end
#
# 109 ALA HN 110 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1635,1645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ HA 109 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1635, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ QG 109 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1735,1736,
&end
#
# 119 PHE QB 109 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1788,1789,
&end
#
# 110 GLN HN 109 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1639,1640,1641,
&end
#
# 109 ALA QB 116 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1639,1640,1641,
&end
#
# 109 ALA QB 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1639,1640,1641,
&end
#
# 109 ALA QB 116 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1639,1640,1641,
igr2=1738,1739,
&end
#
# 116 LYS+ QG 109 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1735,1736,
igr2=1639,1640,1641,
&end
#
# 109 ALA QB 118 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1639,1640,1641,
&end
#
# 109 ALA QB 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1639,1640,1641,
&end
#
# 119 PHE QB 109 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1788,1789,
igr2=1639,1640,1641,
&end
#
# 109 ALA QB 120 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1639,1640,1641,
&end
#
# 11 THR HA 11 THR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 183, 181, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 THR QG2 11 THR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 187, 188, 189,
&end
#
# 12 GLY HN 11 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 ILE HB 11 THR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 601, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HA 39 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HA 39 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 610, 611, 612,
&end
#
# 11 THR HA 39 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 603, 604, 605,
&end
#
# 11 THR HA 40 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HA 88 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 183,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 CYX HA 11 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 THR HB 11 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 185, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HB 11 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 187, 188, 189,
&end
#
# 12 GLY HN 11 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 185, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HB 40 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 623, 624,
&end
#
# 11 THR HN 11 THR QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 187, 188, 189,
&end
#
# 11 THR HN 12 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 181, 195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 SER HG 11 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY QA 11 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 39 ILE HN 11 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 CYX QB 11 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1239,1240,
&end
#
# 90 PRO QD 11 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1330,
&end
#
# 11 THR QG2 12 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 187, 188, 189,
&end
#
# 12 GLY QA 11 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 197, 198,
igr2= 187, 188, 189,
&end
#
# 11 THR QG2 39 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 187, 188, 189,
&end
#
# 39 ILE QD1 11 THR QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 610, 611, 612,
igr2= 187, 188, 189,
&end
#
# 11 THR QG2 39 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 187, 188, 189,
igr2= 603, 604, 605,
&end
#
# 11 THR QG2 82 CYX QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 187, 188, 189,
igr2=1239,1240,
&end
#
# 11 THR QG2 87 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 187, 188, 189,
&end
#
# 11 THR QG2 87 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 187, 188, 189,
igr2=1288,1289,
&end
#
# 88 LYS+ HA 11 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 187, 188, 189,
&end
#
# 88 LYS+ HN 11 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 187, 188, 189,
&end
#
# 88 LYS+ QB 11 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1300,1301,
igr2= 187, 188, 189,
&end
#
# 89 CYX HA 11 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 187, 188, 189,
&end
#
# 110 GLN HN 110 GLN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1645,1647, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 110 GLN HA 110 GLN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1649,1650,
&end
#
# 110 GLN HA 110 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1657,1658,
&end
#
# 110 GLN HA 110 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1652,1653,
&end
#
# 110 GLN HA 111 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1647,1662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLN HA 112 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1647,1669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ QE 110 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1741,1742,
&end
#
# 116 LYS+ QG 110 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1735,1736,
&end
#
# 110 GLN HN 110 GLN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1649,1650,
&end
#
# 110 GLN HN 110 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1645, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1652,1653,
&end
#
# 110 GLN HN 111 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1645,1662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLN QB 110 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1649,1650,
igr2=1657,1658,
&end
#
# 110 GLN QB 110 GLN QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1649,1650,
igr2=1652,1653,
&end
#
# 111 GLY HN 110 GLN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1649,1650,
&end
#
# 110 GLN QG 110 GLN QE2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1652,1653,
igr2=1657,1658,
&end
#
# 111 GLY HN 110 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1652,1653,
&end
#
# 111 GLY HN 111 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1664,1665,
&end
#
# 111 GLY HN 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1662,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ QD 111 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1738,1739,
&end
#
# 116 LYS+ QE 111 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1741,1742,
&end
#
# 112 THR HN 111 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1664,1665,
&end
#
# 111 GLY QA 112 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1664,1665,
igr2=1675,1676,1677,
&end
#
# 115 GLU- QB 111 GLY QA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1717,1718,
igr2=1664,1665,
&end
#
# 112 THR HA 112 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1671,1669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 112 THR HA 112 THR QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1675,1676,1677,
&end
#
# 113 GLU- HN 112 THR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1683,1671, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 THR HA 113 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1690,1691,
&end
#
# 112 THR HA 114 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1671,1698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 THR HA 115 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1671,1713, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 THR HA 116 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1671,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 THR HA 116 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1732,1733,
&end
#
# 112 THR HB 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1673,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 THR HB 113 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1673,1683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 THR HN 112 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1675,1676,1677,
&end
#
# 113 GLU- HN 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1683,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 GLU- HA 112 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1715,1669, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 GLU- HN 112 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1713,1669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 GLU- QB 112 THR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1717,1718,
&end
#
# 112 THR HN 115 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1720,1721,
&end
#
# 116 LYS+ HN 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1669, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLU- HN 112 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1675,1676,1677,
&end
#
# 115 GLU- HN 112 THR QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1675,1676,1677,
&end
#
# 113 GLU- HN 113 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1683,1685, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 GLU- HA 113 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1687,1688,
&end
#
# 113 GLU- HA 113 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1690,1691,
&end
#
# 113 GLU- HA 114 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 GLU- HA 115 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 GLU- HA 116 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 GLU- HA 116 LYS+ QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1738,1739,
&end
#
# 116 LYS+ QE 113 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1741,1742,
&end
#
# 117 TRP HN 113 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLU- HN 113 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1687,1688,
&end
#
# 113 GLU- HN 113 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1690,1691,
&end
#
# 113 GLU- HN 114 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1683,1698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 GLU- HN 113 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1713,1683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ HN 113 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ QB 113 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1732,1733,
&end
#
# 113 GLU- QB 113 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1687,1688,
igr2=1690,1691,
&end
#
# 116 LYS+ QD 113 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1738,1739,
igr2=1687,1688,
&end
#
# 113 GLU- QB 117 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1687,1688,
&end
#
# 114 GLU- HN 113 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1690,1691,
&end
#
# 114 GLU- HN 114 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1698,1700, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 114 GLU- HA 114 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1702,1703,
&end
#
# 114 GLU- QG 114 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1705,1706,
&end
#
# 114 GLU- HA 115 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1700,1713, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 TRP HD1 114 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1758,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP HN 114 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP QB 114 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1754,1755,
&end
#
# 114 GLU- HN 114 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1702,1703,
&end
#
# 115 GLU- HA 114 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1715,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 GLU- HN 114 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1713,1698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LYS+ HN 114 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ QB 114 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1732,1733,
&end
#
# 117 TRP HN 114 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP QB 114 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1698, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1754,1755,
&end
#
# 115 GLU- HN 114 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1702,1703,
&end
#
# 115 GLU- HA 115 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1715,1713, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 GLU- QB 115 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1717,1718,
&end
#
# 115 GLU- HA 115 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1720,1721,
&end
#
# 115 GLU- HA 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1715,1728, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 GLU- HA 117 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1715,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 GLU- HA 118 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1715,1774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 115 GLU- HA 118 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1778,1779,1780,
&end
#
# 115 GLU- QB 115 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1717,1718,
&end
#
# 115 GLU- HN 115 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1720,1721,
&end
#
# 116 LYS+ HN 115 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1728,1713, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP HN 115 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1713, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP QB 115 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1754,1755,
&end
#
# 115 GLU- QB 116 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1717,1718,
&end
#
# 115 GLU- QB 117 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1750, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1717,1718,
&end
#
# 115 GLU- QG 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1720,1721,
&end
#
# 116 LYS+ HA 116 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1730,1728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 LYS+ QG 116 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1735,1736,
&end
#
# 116 LYS+ HA 117 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1750, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ HA 118 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 PHE HN 116 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1784,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ HA 119 PHE QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1788,1789,
&end
#
# 116 LYS+ HA 120 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ QB 116 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1732,1733,
&end
#
# 116 LYS+ HN 116 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1738,1739,
&end
#
# 116 LYS+ QE 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1741,1742,
&end
#
# 116 LYS+ QG 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1735,1736,
&end
#
# 117 TRP HA 116 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ HN 117 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LYS+ HN 118 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 PHE QB 116 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1728, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1788,1789,
&end
#
# 116 LYS+ QE 116 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1741,1742,
igr2=1732,1733,
&end
#
# 117 TRP HN 116 LYS+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1732,1733,
&end
#
# 116 LYS+ QB 118 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1732,1733,
&end
#
# 116 LYS+ QE 116 LYS+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1741,1742,
igr2=1738,1739,
&end
#
# 117 TRP HE3 117 TRP HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1769,1752, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP HA 117 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1750, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 TRP QB 117 TRP HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1754,1755,
&end
#
# 117 TRP HA 118 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP HA 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP HA 120 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1804, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP HA 120 PHE QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1808,1809,
&end
#
# 117 TRP HA 121 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASN QB 117 TRP HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 716, 717,
&end
#
# 47 ASN QD2 117 TRP HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 721, 722,
&end
#
# 117 TRP HD1 117 TRP HE1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1758,1760, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP HD1 117 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1758,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HD1 118 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1758,1774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP QB 117 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1754,1755,
&end
#
# 118 ALA HA 117 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1776,1760, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HE1 118 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1760,1774, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 118 ALA QB 117 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1760, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1778,1779,1780,
&end
#
# 117 TRP HE3 120 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1769,1804, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HE3 121 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1769,1824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HH2 51 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1765, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HN 117 TRP QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1754,1755,
&end
#
# 118 ALA HA 117 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1776,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HN 118 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 TRP HN 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE HN 117 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1804,1750, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HZ3 121 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1767,1824, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HZ3 50 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1767, 752, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP HZ3 51 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1767, 776, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP HZ3 51 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1767, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 TRP HZ3 51 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 778, 779, 780,
&end
#
# 117 TRP HZ3 52 MET HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1767, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP QB 118 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1754,1755,
&end
#
# 117 TRP QB 118 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1754,1755,
igr2=1778,1779,1780,
&end
#
# 117 TRP QB 119 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1754,1755,
&end
#
# 118 ALA HN 118 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1774,1776, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 118 ALA HA 118 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1778,1779,1780,
&end
#
# 118 ALA HA 119 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1776,1784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 PHE HN 118 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1804,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 GLN QB 118 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1828,1829,
&end
#
# 118 ALA HA 122 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1776,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA HA 122 ARG+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1848,1849,
&end
#
# 118 ALA HN 118 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1778,1779,1780,
&end
#
# 119 PHE HN 118 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1784,1774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 118 ALA HN 120 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1774,1804, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA QB 119 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1778,1779,1780,
&end
#
# 121 GLN QE2 118 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1836,1837,
igr2=1778,1779,1780,
&end
#
# 119 PHE HA 119 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1786,1784, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 119 PHE HA 119 PHE QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1788,1789,
&end
#
# 119 PHE HA 120 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1786,1804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 PHE HA 122 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1786,1841, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ARG+ QB 119 PHE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1845,1846,
&end
#
# 122 ARG+ QG 119 PHE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1848,1849,
&end
#
# 119 PHE HA 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1786,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 PHE HN 119 PHE QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1788,1789,
&end
#
# 120 PHE HA 119 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 PHE HN 120 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1784,1804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 PHE HN 119 PHE QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1804, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1788,1789,
&end
#
# 119 PHE QB 123 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1788,1789,
&end
#
# 12 GLY QA 12 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 197, 198,
&end
#
# 13 ASN HN 12 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 SER HG 12 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY QA 12 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 39 ILE HN 12 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 GLU- HN 12 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY QA 13 ASN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 197, 198,
&end
#
# 12 GLY QA 39 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 197, 198,
&end
#
# 12 GLY QA 40 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 197, 198,
&end
#
# 120 PHE HA 120 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 PHE HA 120 PHE QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1808,1809,
&end
#
# 120 PHE HA 121 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1824, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE HA 122 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 VAL HB 120 PHE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1869,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE HA 123 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 PHE HA 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE QB 120 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1808,1809,
&end
#
# 121 GLN HN 120 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1824,1804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 120 PHE HZ 45 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 693, 694,
&end
#
# 120 PHE HZ 47 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1816, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE HZ 47 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 716, 717,
&end
#
# 120 PHE HZ 48 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1816, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 PHE HZ 48 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1816, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 730, 731, 732,
&end
#
# 120 PHE QB 121 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1808,1809,
&end
#
# 121 GLN QB 120 PHE QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1828,1829,
igr2=1808,1809,
&end
#
# 120 PHE QB 121 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1808,1809,
igr2=1836,1837,
&end
#
# 120 PHE QB 51 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1808,1809,
igr2= 778, 779, 780,
&end
#
# 120 PHE QE 47 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1814,1818,
&end
#
# 120 PHE QE 48 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1814,1818,
&end
#
# 121 GLN HN 121 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1824,1826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 GLN QB 121 GLN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1828,1829,
&end
#
# 121 GLN HA 121 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1836,1837,
&end
#
# 121 GLN HA 122 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1826,1841, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 GLN HA 124 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1826,1881, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ARG+ QD 121 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1891,1892,
&end
#
# 124 ARG+ QG 121 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1888,1889,
&end
#
# 121 GLN HA 125 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1826,1905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HZ2 121 GLN HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 352,1826, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 51 ALA QB 121 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1826, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 778, 779, 780,
&end
#
# 121 GLN QB 121 GLN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1824, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1828,1829,
&end
#
# 121 GLN HN 121 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1836,1837,
&end
#
# 121 GLN HN 122 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1824,1841, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 GLN HN 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1824,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 GLN QB 121 GLN QE2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1828,1829,
igr2=1836,1837,
&end
#
# 121 GLN QB 122 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1828,1829,
&end
#
# 121 GLN QB 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1828,1829,
&end
#
# 121 GLN QG 121 GLN QE2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1831,1832,
igr2=1836,1837,
&end
#
# 50 LYS+ QB 121 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 756, 757,
igr2=1836,1837,
&end
#
# 54 GLU- QB 121 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 827, 828,
igr2=1836,1837,
&end
#
# 121 GLN QG 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1831,1832,
&end
#
# 122 ARG+ HA 122 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1841, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ARG+ QB 122 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1845,1846,
&end
#
# 122 ARG+ HA 122 ARG+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1851,1852,
&end
#
# 122 ARG+ HA 122 ARG+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1848,1849,
&end
#
# 122 ARG+ HA 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ARG+ HA 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ARG+ HA 125 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ARG+ HA 125 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1909,1910,
&end
#
# 122 ARG+ QD 122 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1851,1852,
&end
#
# 122 ARG+ QG 122 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1848,1849,
&end
#
# 123 VAL HN 122 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1865,1841, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 122 ARG+ HN 124 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1841,1881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASP- HN 122 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1905,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ARG+ QB 122 ARG+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1845,1846,
igr2=1851,1852,
&end
#
# 123 VAL HN 122 ARG+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1845,1846,
&end
#
# 122 ARG+ QD 122 ARG+ QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1851,1852,
igr2=1848,1849,
&end
#
# 122 ARG+ QD 125 ASP- QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=1851,1852,
igr2=1909,1910,
&end
#
# 123 VAL HN 122 ARG+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1848,1849,
&end
#
# 123 VAL HA 123 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1867,1869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 VAL HA 123 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1867,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 VAL HA 123 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 123 VAL HA 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1867,1881, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 VAL HA 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1867,1905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 GLU- HA 123 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 VAL HA 126 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1867,1917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 GLU- QB 123 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1921,1922,
&end
#
# 123 VAL HA 126 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1924,1925,
&end
#
# 123 VAL HA 127 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1867,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 VAL HB 123 VAL HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1869,1865, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 123 VAL HB 123 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 123 VAL HB 124 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1869,1881, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 VAL HN 123 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 126 GLU- QB 123 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1921,1922,
&end
#
# 125 ASP- HN 123 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 127 ILE QG1 123 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1942,1943,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 16 ARG+ QD 123 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 248, 249,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 19 MET QB 123 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 294, 295,
igr2=1871,1872,1873,1875,1876,1877,
&end
#
# 124 ARG+ HN 124 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1881,1883, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ARG+ QB 124 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1885,1886,
&end
#
# 124 ARG+ QD 124 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1891,1892,
&end
#
# 124 ARG+ QG 124 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1888,1889,
&end
#
# 124 ARG+ HA 125 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1883,1905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ARG+ HA 127 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1883,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET QB 124 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 294, 295,
&end
#
# 124 ARG+ HA 23 TRP HE1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1883, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ARG+ QB 124 ARG+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1885,1886,
&end
#
# 124 ARG+ QD 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1891,1892,
&end
#
# 124 ARG+ QG 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1888,1889,
&end
#
# 124 ARG+ HN 125 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1881,1905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 GLU- HN 124 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1917,1881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 MET QB 124 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 295,
&end
#
# 19 MET QE 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 301, 302, 303,
&end
#
# 23 TRP HE1 124 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 349,1881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ALA QB 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1881, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 778, 779, 780,
&end
#
# 124 ARG+ QB 125 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1885,1886,
&end
#
# 124 ARG+ QB 51 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1885,1886,
igr2= 778, 779, 780,
&end
#
# 124 ARG+ QD 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1907, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1891,1892,
&end
#
# 124 ARG+ QD 125 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1891,1892,
&end
#
# 124 ARG+ QD 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1891,1892,
&end
#
# 124 ARG+ QD 51 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1891,1892,
&end
#
# 124 ARG+ QD 51 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1891,1892,
igr2= 778, 779, 780,
&end
#
# 124 ARG+ QD 52 MET HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1891,1892,
&end
#
# 124 ARG+ QD 54 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1891,1892,
&end
#
# 124 ARG+ QD 54 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1891,1892,
&end
#
# 124 ARG+ QD 55 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1891,1892,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 124 ARG+ QG 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1907, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1888,1889,
&end
#
# 124 ARG+ QG 125 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1888,1889,
&end
#
# 124 ARG+ QG 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1888,1889,
&end
#
# 124 ARG+ QG 55 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1888,1889,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 125 ASP- HN 125 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1905,1907, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 125 ASP- HA 125 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1909,1910,
&end
#
# 126 GLU- HN 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1917,1907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ASP- HA 127 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1907,1932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASP- HA 128 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1907,1951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 GLY QA 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1907, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1953,1954,
&end
#
# 125 ASP- HA 129 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1907,1958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ASP- HA 129 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1967,1968,
&end
#
# 23 TRP HE1 125 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 349,1907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HH2 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 354,1907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HZ2 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 352,1907, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ASP- HN 125 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1909,1910,
&end
#
# 126 GLU- HN 125 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1917,1905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 GLY HN 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1951,1905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HE1 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 349,1905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HZ2 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352,1905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ALA QB 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1905, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 778, 779, 780,
&end
#
# 125 ASP- QB 126 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1909,1910,
&end
#
# 126 GLU- QB 125 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1921,1922,
igr2=1909,1910,
&end
#
# 125 ASP- QB 129 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1909,1910,
&end
#
# 125 ASP- QB 129 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1909,1910,
igr2=1967,1968,
&end
#
# 126 GLU- HN 126 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1917,1919, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 126 GLU- QB 126 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1921,1922,
&end
#
# 126 GLU- HA 126 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1924,1925,
&end
#
# 126 GLU- HA 127 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 GLU- HA 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 GLU- HA 129 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 GLU- HA 129 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1962,1963,
&end
#
# 129 ASN QD2 126 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1967,1968,
&end
#
# 126 GLU- HA 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 GLU- QB 126 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1921,1922,
&end
#
# 126 GLU- HN 126 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1924,1925,
&end
#
# 127 ILE HA 126 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1917, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 GLU- HN 127 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1917,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 ILE QG1 126 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1942,1943,
&end
#
# 128 GLY HN 126 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1951,1917, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 GLU- HN 129 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1917,1958, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 ASN QD2 126 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1967,1968,
&end
#
# 126 GLU- QB 126 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1921,1922,
igr2=1924,1925,
&end
#
# 126 GLU- QB 127 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1921,1922,
&end
#
# 126 GLU- QB 127 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1921,1922,
&end
#
# 126 GLU- QB 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1921,1922,
&end
#
# 127 ILE HN 126 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1924,1925,
&end
#
# 127 ILE HB 127 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1936,1934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE HA 127 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1932, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 ILE QG1 127 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1942,1943,
&end
#
# 127 ILE HA 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE HA 129 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1958, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE HA 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ARG+ QB 127 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1976,1977,
&end
#
# 127 ILE HN 127 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1932,1936, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 ILE QG1 127 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1942,1943,
&end
#
# 127 ILE HB 127 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1938,1939,1940,
&end
#
# 128 GLY HN 127 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1951,1936, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 ILE HB 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1936, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE QG1 127 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1942,1943,
&end
#
# 127 ILE HN 127 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1938,1939,1940,
&end
#
# 127 ILE HN 128 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1932,1951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 ARG+ HN 127 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1972,1932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 ILE HN 23 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1932, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 ILE QG1 127 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1942,1943,
igr2=1945,1946,1947,
&end
#
# 20 ALA HN 127 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1945,1946,1947,
&end
#
# 127 ILE QD1 21 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1945,1946,1947,
&end
#
# 127 ILE QD1 81 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1945,1946,1947,
&end
#
# 127 ILE QG1 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1942,1943,
&end
#
# 128 GLY HN 127 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1938,1939,1940,
&end
#
# 130 ARG+ HN 127 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1938,1939,1940,
&end
#
# 19 MET QB 127 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 294, 295,
igr2=1938,1939,1940,
&end
#
# 20 ALA HA 127 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1938,1939,1940,
&end
#
# 20 ALA HN 127 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1938,1939,1940,
&end
#
# 23 TRP HD1 127 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1938,1939,1940,
&end
#
# 23 TRP HE1 127 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1938,1939,1940,
&end
#
# 81 LEU HG 127 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1938,1939,1940,
&end
#
# 128 GLY QA 128 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1953,1954,
&end
#
# 128 GLY HN 129 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1951,1958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 128 GLY HN 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1951,1972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET QB 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 295,
&end
#
# 23 TRP HD1 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 347,1951, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HE1 128 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 349,1951, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HZ2 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352,1951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR QE 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1951, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 128 GLY QA 129 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1953,1954,
&end
#
# 131 LEU QB 128 GLY QA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2000,2001,
igr2=1953,1954,
&end
#
# 128 GLY QA 132 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1953,1954,
&end
#
# 132 LYS+ QB 128 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2019,2020,
igr2=1953,1954,
&end
#
# 128 GLY QA 132 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1953,1954,
igr2=2025,2026,
&end
#
# 128 GLY QA 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1953,1954,
&end
#
# 23 TRP QB 128 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 343, 344,
igr2=1953,1954,
&end
#
# 129 ASN HN 129 ASN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1958,1960, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 129 ASN HA 129 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1962,1963,
&end
#
# 130 ARG+ HN 129 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1972,1960, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LYS+ HN 129 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2015,1960, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 129 ASN HA 132 LYS+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2019,2020,
&end
#
# 129 ASN HA 132 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2025,2026,
&end
#
# 129 ASN QB 129 ASN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1962,1963,
&end
#
# 129 ASN QD2 129 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1967,1968,
&end
#
# 130 ARG+ HN 129 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1972,1958, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LYS+ QB 129 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2019,2020,
&end
#
# 27 TYR QE 129 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 129 ASN QD2 129 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1967,1968,
igr2=1962,1963,
&end
#
# 129 ASN QB 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1962,1963,
&end
#
# 132 LYS+ QD 129 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2025,2026,
igr2=1967,1968,
&end
#
# 13 ASN HA 13 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN QB 13 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 206, 207,
&end
#
# 13 ASN QD2 13 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 211, 212,
&end
#
# 13 ASN HA 14 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 13 ASN HA 15 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 SER HG 13 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HA 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HA 18 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 273, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HA 37 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN QB 13 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 206, 207,
&end
#
# 13 ASN QD2 13 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 211, 212,
&end
#
# 13 ASN HN 14 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 SER HG 13 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY QA 13 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 39 ILE HN 13 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ASN HN 40 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 623, 624,
&end
#
# 41 ALA HA 13 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ALA QB 13 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 635, 636, 637,
&end
#
# 13 ASN QB 13 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 206, 207,
igr2= 211, 212,
&end
#
# 13 ASN QB 14 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 206, 207,
&end
#
# 13 ASN QB 18 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 206, 207,
igr2= 285, 286,
&end
#
# 13 ASN QB 38 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 206, 207,
&end
#
# 13 ASN QB 41 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 206, 207,
&end
#
# 13 ASN QB 41 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 206, 207,
igr2= 635, 636, 637,
&end
#
# 42 HIS HN 13 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 206, 207,
&end
#
# 13 ASN QB 43 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 206, 207,
&end
#
# 13 ASN QB 64 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 206, 207,
&end
#
# 13 ASN QD2 14 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 211, 212,
&end
#
# 15 CYS HN 13 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 211, 212,
&end
#
# 13 ASN QD2 17 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 211, 212,
&end
#
# 17 SER HG 13 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 211, 212,
&end
#
# 13 ASN QD2 17 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 211, 212,
&end
#
# 13 ASN QD2 18 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 211, 212,
&end
#
# 13 ASN QD2 18 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 211, 212,
igr2= 285, 286,
&end
#
# 18 GLN QG 13 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 280, 281,
igr2= 211, 212,
&end
#
# 36 SER HA 13 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 211, 212,
&end
#
# 13 ASN QD2 36 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 211, 212,
&end
#
# 36 SER QB 13 ASN QD2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 573, 574,
igr2= 211, 212,
&end
#
# 37 ALA HA 13 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 211, 212,
&end
#
# 13 ASN QD2 37 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 211, 212,
&end
#
# 37 ALA QB 13 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 584, 585, 586,
igr2= 211, 212,
&end
#
# 13 ASN QD2 65 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 211, 212,
&end
#
# 13 ASN QD2 8 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 211, 212,
&end
#
# 130 ARG+ HE 130 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985,1974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 ARG+ HN 130 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1972,1974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ARG+ HA 130 ARG+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1976,1977,
&end
#
# 130 ARG+ QD 130 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1982,1983,
&end
#
# 132 LYS+ HN 130 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2015,1974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLU- HN 130 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2037,1974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU- QB 130 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2041,2042,
&end
#
# 130 ARG+ HE 130 ARG+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1985, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1982,1983,
&end
#
# 130 ARG+ QB 130 ARG+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1976,1977,
&end
#
# 130 ARG+ QD 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1982,1983,
&end
#
# 130 ARG+ QG 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1979,1980,
&end
#
# 130 ARG+ HN 131 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1972,1996, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 130 ARG+ HN 132 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1972,2015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LYS+ QB 130 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1972, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2019,2020,
&end
#
# 133 GLU- HN 130 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2037,1972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 ARG+ QB 130 ARG+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1976,1977,
igr2=1982,1983,
&end
#
# 131 LEU HN 130 ARG+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1976,1977,
&end
#
# 130 ARG+ QB 132 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1976,1977,
&end
#
# 132 LYS+ QB 130 ARG+ QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2019,2020,
igr2=1976,1977,
&end
#
# 130 ARG+ QD 131 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1982,1983,
&end
#
# 130 ARG+ QD 133 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1982,1983,
&end
#
# 130 ARG+ QD 139 LYS+ HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1982,1983,
&end
#
# 130 ARG+ QD 139 LYS+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1982,1983,
igr2=2125,2126,
&end
#
# 131 LEU HG 131 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2003,1998, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 LEU QB 131 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2000,2001,
&end
#
# 132 LYS+ HN 131 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2015,1998, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 PHE QB 131 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2056,2057,
&end
#
# 131 LEU HA 135 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1998,2072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 LEU HG 131 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2003,1996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 LEU QB 131 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2000,2001,
&end
#
# 131 LEU HG 131 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2005,2006,2007,2009,2010,2011,
&end
#
# 20 ALA QB 131 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 311, 312, 313,
&end
#
# 131 LEU HG 23 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2003, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 LEU HG 24 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2003, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ALA HN 131 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363,2003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ALA QB 131 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 367, 368, 369,
&end
#
# 131 LEU HG 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2003, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR QE 131 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 131 LEU HG 28 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2003, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 LEU HG 28 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 6 ILE QD1 131 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2003, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 104, 105, 106,
&end
#
# 131 LEU HN 131 LEU QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2000,2001,
&end
#
# 131 LEU QQD 131 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2005,2006,2007,2009,2010,2011,
&end
#
# 132 LYS+ HA 131 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2017,1996, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 131 LEU HN 132 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1996,2015, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- HN 131 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2037,1996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLU- QG 131 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2044,2045,
&end
#
# 27 TYR QE 131 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1996, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 422, 427,
&end
#
# 131 LEU QB 132 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2000,2001,
&end
#
# 24 ALA HN 131 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2005,2006,2007,2009,2010,2011,
&end
#
# 132 LYS+ HN 132 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2015,2017, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 132 LYS+ QB 132 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2017, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2019,2020,
&end
#
# 132 LYS+ HA 132 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2025,2026,
&end
#
# 132 LYS+ HA 132 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2022,2023,
&end
#
# 133 GLU- HN 132 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2037,2017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LYS+ HA 135 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2017,2072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LYS+ HA 135 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2076,2077,2078,
&end
#
# 132 LYS+ HA 136 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2017,2082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 TYR QE 132 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2017, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 132 LYS+ HN 132 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2019,2020,
&end
#
# 132 LYS+ HN 132 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2025,2026,
&end
#
# 132 LYS+ HN 132 LYS+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2022,2023,
&end
#
# 133 GLU- HA 132 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LYS+ HN 133 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2015,2037, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- QG 132 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2044,2045,
&end
#
# 132 LYS+ HN 135 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2015,2072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR QB 132 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 416, 417,
&end
#
# 27 TYR QE 132 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 422, 427,
&end
#
# 132 LYS+ QG 132 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2022,2023,
igr2=2019,2020,
&end
#
# 132 LYS+ QB 133 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2019,2020,
&end
#
# 132 LYS+ QB 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2019,2020,
&end
#
# 132 LYS+ QE 132 LYS+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2028,2029,
igr2=2025,2026,
&end
#
# 132 LYS+ QG 132 LYS+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2022,2023,
igr2=2025,2026,
&end
#
# 132 LYS+ QG 132 LYS+ QE 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2022,2023,
igr2=2028,2029,
&end
#
# 132 LYS+ QG 133 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2022,2023,
&end
#
# 132 LYS+ QG 133 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2022,2023,
&end
#
# 132 LYS+ QG 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2022,2023,
&end
#
# 132 LYS+ QG 136 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2022,2023,
&end
#
# 133 GLU- HN 133 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2037,2039, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 133 GLU- QB 133 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2041,2042,
&end
#
# 133 GLU- HA 133 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2044,2045,
&end
#
# 133 GLU- HA 134 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- HA 135 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 GLU- HN 133 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2082,2039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- HA 136 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2086,2087,
&end
#
# 136 GLU- QG 133 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2089,2090,
&end
#
# 137 THR HA 133 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2099,2039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU- HA 137 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLU- HA 137 THR QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2103,2104,2105,
&end
#
# 133 GLU- QB 133 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2041,2042,
&end
#
# 133 GLU- HN 133 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2044,2045,
&end
#
# 134 PHE HA 133 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2037, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU- HN 134 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2037,2052, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- HN 135 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2037,2072, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLU- HN 136 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2037,2082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 GLU- QG 133 GLU- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2089,2090,
igr2=2041,2042,
&end
#
# 133 GLU- QB 137 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2041,2042,
&end
#
# 137 THR HB 133 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2041,2042,
&end
#
# 138 GLY HN 133 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2041,2042,
&end
#
# 133 GLU- QB 139 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2041,2042,
&end
#
# 139 LYS+ QG 133 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2125,2126,
igr2=2041,2042,
&end
#
# 133 GLU- QG 134 PHE HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2044,2045,
&end
#
# 134 PHE HN 133 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2044,2045,
&end
#
# 135 ALA HN 133 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2044,2045,
&end
#
# 137 THR QG2 133 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2103,2104,2105,
igr2=2044,2045,
&end
#
# 133 GLU- QG 139 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2044,2045,
&end
#
# 134 PHE HA 134 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2054,2052, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 134 PHE QB 134 PHE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2056,2057,
&end
#
# 134 PHE QE 134 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2062,2066,
&end
#
# 134 PHE HA 135 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 PHE HA 136 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 GLY HN 134 PHE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2111,2054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 PHE HA 139 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2118, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LEU QQD 134 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 134 PHE QB 134 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2056,2057,
&end
#
# 135 ALA HA 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2052, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 PHE HN 135 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2052,2072, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 GLU- HN 134 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2082,2052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 THR QG2 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2103,2104,2105,
&end
#
# 139 LYS+ HN 134 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2118,2052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 LEU QQD 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 135 ALA HN 134 PHE QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2056,2057,
&end
#
# 134 PHE QB 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2056,2057,
&end
#
# 134 PHE QB 139 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2056,2057,
&end
#
# 134 PHE QE 24 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2062,2066,
igr2= 367, 368, 369,
&end
#
# 134 PHE QE 28 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2062,2066,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 134 PHE QE 6 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2062,2066,
igr2= 104, 105, 106,
&end
#
# 134 PHE QE 6 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2062,2066,
igr2= 97, 98, 99,
&end
#
# 135 ALA HA 135 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2074,2072, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 135 ALA HA 135 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2076,2077,2078,
&end
#
# 136 GLU- HN 135 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2082,2074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 ALA HA 137 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2097, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 ALA HA 138 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 TYR QB 135 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 416, 417,
&end
#
# 28 LEU HA 135 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435,2074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU QQD 135 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 135 ALA HA 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2074, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HH2 135 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501,2074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 ALA HN 135 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2076,2077,2078,
&end
#
# 135 ALA HN 136 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2072,2084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 ALA HN 136 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2072,2082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 ALA HN 137 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2072,2097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 THR QG2 135 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2103,2104,2105,
&end
#
# 138 GLY HN 135 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2111,2072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 ALA HN 139 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2072,2118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU QQD 135 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2072, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 136 GLU- HN 135 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2076,2077,2078,
&end
#
# 135 ALA QB 137 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2076,2077,2078,
&end
#
# 27 TYR QB 135 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 416, 417,
igr2=2076,2077,2078,
&end
#
# 28 LEU HA 135 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2076,2077,2078,
&end
#
# 135 ALA QB 28 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=2076,2077,2078,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 135 ALA QB 29 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2076,2077,2078,
&end
#
# 135 ALA QB 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2076,2077,2078,
&end
#
# 136 GLU- HA 136 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2084,2082, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 GLU- HA 136 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2086,2087,
&end
#
# 136 GLU- QG 136 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2089,2090,
&end
#
# 137 THR HN 136 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2097,2084, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 THR QG2 136 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2103,2104,2105,
&end
#
# 136 GLU- HA 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 GLU- HN 136 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2086,2087,
&end
#
# 136 GLU- HN 136 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2089,2090,
&end
#
# 136 GLU- HN 137 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2082,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 THR HN 136 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2097,2082, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 GLU- HN 137 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2103,2104,2105,
&end
#
# 136 GLU- HN 138 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2082,2111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 LEU QQD 136 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2082, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 136 GLU- QG 136 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2089,2090,
igr2=2086,2087,
&end
#
# 137 THR HN 136 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2086,2087,
&end
#
# 137 THR QG2 136 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2103,2104,2105,
igr2=2086,2087,
&end
#
# 136 GLU- QB 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2086,2087,
&end
#
# 137 THR HA 136 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2089,2090,
&end
#
# 137 THR HB 136 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2089,2090,
&end
#
# 136 GLU- QG 137 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2089,2090,
&end
#
# 137 THR QG2 136 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2103,2104,2105,
igr2=2089,2090,
&end
#
# 137 THR HA 137 THR HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2099,2101, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 THR HN 137 THR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2097,2099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 THR HA 137 THR QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2103,2104,2105,
&end
#
# 137 THR HA 138 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2099,2111, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 139 LYS+ HN 137 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2118,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 THR HN 137 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2097,2101, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 THR HB 137 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2103,2104,2105,
&end
#
# 137 THR HB 138 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2101,2111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 THR HB 139 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2101,2118, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 THR HB 139 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2122,2123,
&end
#
# 137 THR HB 139 LYS+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2125,2126,
&end
#
# 137 THR HN 137 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2103,2104,2105,
&end
#
# 137 THR HN 138 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2097,2111, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 138 GLY QA 137 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2113,2114,
&end
#
# 139 LYS+ HN 137 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2118,2097, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 GLY HN 137 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2103,2104,2105,
&end
#
# 137 THR QG2 138 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2103,2104,2105,
igr2=2113,2114,
&end
#
# 139 LYS+ HN 137 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2103,2104,2105,
&end
#
# 139 LYS+ QB 137 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2122,2123,
igr2=2103,2104,2105,
&end
#
# 139 LYS+ QE 137 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2131,2132,
igr2=2103,2104,2105,
&end
#
# 138 GLY HN 138 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2113,2114,
&end
#
# 139 LYS+ HA 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2120,2111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 138 GLY HN 139 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2111,2118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 139 LYS+ QD 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2128,2129,
&end
#
# 139 LYS+ QG 138 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2125,2126,
&end
#
# 139 LYS+ HN 138 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2113,2114,
&end
#
# 138 GLY QA 139 LYS+ QD 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1=2113,2114,
igr2=2128,2129,
&end
#
# 139 LYS+ HN 139 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2118,2120, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 139 LYS+ HA 139 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2122,2123,
&end
#
# 139 LYS+ QE 139 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2131,2132,
&end
#
# 139 LYS+ HA 139 LYS+ QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2125,2126,
&end
#
# 139 LYS+ HN 139 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2122,2123,
&end
#
# 139 LYS+ QE 139 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2131,2132,
&end
#
# 139 LYS+ QG 139 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2125,2126,
&end
#
# 139 LYS+ QE 139 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=2131,2132,
igr2=2122,2123,
&end
#
# 139 LYS+ QG 139 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2125,2126,
igr2=2122,2123,
&end
#
# 139 LYS+ QE 139 LYS+ QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=2131,2132,
igr2=2125,2126,
&end
#
# 14 SER HA 14 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 SER QB 14 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 220, 221,
&end
#
# 14 SER HA 15 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 SER HA 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HA 18 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 285, 286,
&end
#
# 18 GLN QG 14 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 280, 281,
&end
#
# 14 SER HA 43 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 SER HA 44 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 667, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 SER HA 45 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 SER QB 14 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 220, 221,
&end
#
# 14 SER HN 15 CYS HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 216, 227, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 SER HN 16 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 SER HG 14 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 SER HN 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 SER HN 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 SER QB 14 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 971, 972,
&end
#
# 14 SER QB 15 CYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 220, 221,
&end
#
# 14 SER QB 45 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 220, 221,
&end
#
# 14 SER QB 45 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 220, 221,
igr2= 693, 694,
&end
#
# 15 CYS QB 15 CYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 231, 232,
&end
#
# 16 ARG+ HA 15 CYS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 CYS HN 16 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 227, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 SER HG 15 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 CYS HN 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 227, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 CYS HN 18 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 227, 273, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLN QG 15 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281,
&end
#
# 45 ASN HN 15 CYS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 684, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG+ HN 15 CYS QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 231, 232,
&end
#
# 15 CYS QB 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 231, 232,
&end
#
# 15 CYS QB 45 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 231, 232,
&end
#
# 15 CYS QB 45 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 231, 232,
igr2= 693, 694,
&end
#
# 15 CYS QB 48 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 231, 232,
igr2= 730, 731, 732,
&end
#
# 16 ARG+ HN 16 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 ARG+ QB 16 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 242, 243,
&end
#
# 16 ARG+ QG 16 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 245, 246,
&end
#
# 17 SER HN 16 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG+ HA 19 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 240, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET QB 16 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 294, 295,
&end
#
# 81 LEU QQD 16 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 16 ARG+ HE 16 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 251, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG+ HE 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 251, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 ARG+ HE 82 CYX HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 251,1237, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 ARG+ QB 16 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 242, 243,
&end
#
# 16 ARG+ QG 16 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 245, 246,
&end
#
# 17 SER HG 16 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG+ HN 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 238, 262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 ARG+ HN 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 MET QB 16 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 295,
&end
#
# 81 LEU QB 16 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1220,1221,
&end
#
# 81 LEU QQD 16 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 16 ARG+ QB 17 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 242, 243,
&end
#
# 16 ARG+ QB 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 242, 243,
&end
#
# 16 ARG+ QD 83 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 248, 249,
&end
#
# 16 ARG+ QD 84 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 248, 249,
&end
#
# 16 ARG+ QG 17 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 246,
&end
#
# 81 LEU QQD 16 ARG+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1225,1226,1227,1229,1230,1231,
igr2= 245, 246,
&end
#
# 17 SER HG 17 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 SER HA 17 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 SER HA 18 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 273, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ALA HN 17 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ALA QB 17 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 311, 312, 313,
&end
#
# 17 SER HA 37 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU QQD 17 SER HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 17 SER HG 17 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 SER HG 18 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 273, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 SER HG 37 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 SER QB 17 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 266, 267,
&end
#
# 17 SER HN 18 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 SER HN 19 MET HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU QB 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1220,1221,
&end
#
# 81 LEU QQD 17 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 17 SER QB 81 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 266, 267,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 18 GLN HN 18 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLN QB 18 GLN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 277, 278,
&end
#
# 18 GLN HA 18 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 285, 286,
&end
#
# 19 MET HN 18 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLU- HN 18 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLN HA 36 SER HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 275, 571, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 GLN HA 36 SER QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 573, 574,
&end
#
# 18 GLN QB 18 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 277, 278,
&end
#
# 18 GLN QE2 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 285, 286,
&end
#
# 18 GLN QG 18 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 280, 281,
&end
#
# 18 GLN HN 19 MET HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 MET QG 18 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 297, 298,
&end
#
# 18 GLN HN 20 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLU- HN 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 LEU QQD 18 GLN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 18 GLN QB 18 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 277, 278,
igr2= 285, 286,
&end
#
# 18 GLN QB 19 MET HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 277, 278,
&end
#
# 18 GLN QB 44 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 277, 278,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 18 GLN QB 45 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 277, 278,
&end
#
# 18 GLN QB 59 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 277, 278,
igr2= 905, 906, 907,
&end
#
# 18 GLN QG 18 GLN QE2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 280, 281,
igr2= 285, 286,
&end
#
# 44 LEU HA 18 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 285, 286,
&end
#
# 44 LEU QQD 18 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 285, 286,
&end
#
# 62 GLN QB 18 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 940, 941,
igr2= 285, 286,
&end
#
# 63 THR HA 18 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 285, 286,
&end
#
# 18 GLN QE2 63 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 285, 286,
&end
#
# 18 GLN QE2 64 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 285, 286,
&end
#
# 64 SER QB 18 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 971, 972,
igr2= 285, 286,
&end
#
# 18 GLN QE2 65 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 285, 286,
&end
#
# 18 GLN QG 44 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 280, 281,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 18 GLN QG 45 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 280, 281,
&end
#
# 19 MET HA 19 MET HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 290, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 MET QB 19 MET HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 294, 295,
&end
#
# 19 MET QG 19 MET HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 297, 298,
&end
#
# 19 MET HA 20 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET HA 22 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET HA 23 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 MET HA 23 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 MET HA 52 MET QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 795, 796, 797,
&end
#
# 19 MET HA 52 MET QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 791, 792,
&end
#
# 59 ILE QD1 19 MET HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 905, 906, 907,
&end
#
# 59 ILE QG2 19 MET HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 898, 899, 900,
&end
#
# 19 MET QB 19 MET HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 294, 295,
&end
#
# 19 MET QG 19 MET HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 297, 298,
&end
#
# 19 MET HN 20 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 MET HN 21 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 317, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 MET HN 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HD1 19 MET HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 347, 290, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 19 MET HN 44 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 19 MET HN 59 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 MET HN 59 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 905, 906, 907,
&end
#
# 19 MET QG 19 MET QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 297, 298,
igr2= 294, 295,
&end
#
# 19 MET QB 20 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 294, 295,
&end
#
# 19 MET QB 21 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 295,
&end
#
# 19 MET QB 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 294, 295,
&end
#
# 19 MET QB 48 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 294, 295,
igr2= 730, 731, 732,
&end
#
# 2 GLU- HA 2 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 25, 26,
&end
#
# 2 GLU- QG 2 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 28, 29,
&end
#
# 3 ASN HN 2 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 36, 23, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 2 GLU- QG 2 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 28, 29,
igr2= 25, 26,
&end
#
# 3 ASN HN 2 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 25, 26,
&end
#
# 3 ASN QB 2 GLU- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 40, 41,
igr2= 25, 26,
&end
#
# 2 GLU- QG 4 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 28, 29,
igr2= 60, 61,
&end
#
# 20 ALA HN 20 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ALA HA 20 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 311, 312, 313,
&end
#
# 20 ALA HA 21 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ALA HA 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HD1 20 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ALA HA 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP QB 20 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 343, 344,
&end
#
# 20 ALA HA 24 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 309, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ALA HN 20 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 311, 312, 313,
&end
#
# 20 ALA HN 21 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 317, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 ALA HN 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HD1 20 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ALA HN 23 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 307, 349, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HN 20 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU QQD 20 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 20 ALA QB 21 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 311, 312, 313,
&end
#
# 8 PHE QE 20 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 141, 145,
igr2= 311, 312, 313,
&end
#
# 81 LEU HG 20 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 311, 312, 313,
&end
#
# 20 ALA QB 81 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 311, 312, 313,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 21 GLU- HN 21 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 GLU- HA 21 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 321, 322,
&end
#
# 22 GLY HN 21 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ALA HN 21 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ALA QB 21 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 367, 368, 369,
&end
#
# 21 GLU- HA 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 21 GLU- HN 21 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 321, 322,
&end
#
# 21 GLU- HN 22 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 GLY QA 21 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 334, 335,
&end
#
# 21 GLU- HN 23 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLU- HN 24 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 363, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 VAL QQG 21 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 59 ILE QG2 21 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 898, 899, 900,
&end
#
# 21 GLU- HN 62 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 948, 949,
&end
#
# 8 PHE QE 21 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 141, 145,
&end
#
# 81 LEU QQD 21 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 21 GLU- QB 6 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 321, 322,
igr2= 97, 98, 99,
&end
#
# 34 VAL QQG 21 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 324, 325,
&end
#
# 22 GLY HN 22 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 334, 335,
&end
#
# 22 GLY HN 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 GLY HN 24 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LYS+ HN 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 VAL QQG 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 22 GLY HN 52 MET QE 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 795, 796, 797,
&end
#
# 57 ILE QG2 22 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 867, 868, 869,
&end
#
# 22 GLY HN 59 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 898, 899, 900,
&end
#
# 62 GLN QB 22 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 940, 941,
&end
#
# 22 GLY QA 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 334, 335,
&end
#
# 22 GLY QA 25 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 334, 335,
&end
#
# 25 LYS+ QD 22 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 383, 384,
igr2= 334, 335,
&end
#
# 22 GLY QA 26 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 334, 335,
&end
#
# 22 GLY QA 26 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 334, 335,
igr2= 407, 408,
&end
#
# 22 GLY QA 52 MET QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 334, 335,
igr2= 795, 796, 797,
&end
#
# 22 GLY QA 57 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 334, 335,
igr2= 867, 868, 869,
&end
#
# 59 ILE QG2 22 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 898, 899, 900,
igr2= 334, 335,
&end
#
# 22 GLY QA 62 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 334, 335,
igr2= 948, 949,
&end
#
# 23 TRP HA 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 341, 339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP QB 23 TRP HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 343, 344,
&end
#
# 23 TRP HA 24 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 341, 363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HN 23 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HA 26 GLN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 399, 400,
&end
#
# 23 TRP HA 26 GLN QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 402, 403,
&end
#
# 23 TRP HA 27 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 341, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET QE 23 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 795, 796, 797,
&end
#
# 57 ILE QD1 23 TRP HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 874, 875, 876,
&end
#
# 23 TRP HD1 23 TRP HE1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HD1 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 339, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HD1 52 MET QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 795, 796, 797,
&end
#
# 23 TRP HD1 59 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 23 TRP HN 23 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HZ2 23 TRP HE1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 352, 349, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 ALA QB 23 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 778, 779, 780,
&end
#
# 52 MET QE 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 795, 796, 797,
&end
#
# 55 VAL QQG 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 57 ILE QD1 23 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 23 TRP HH2 55 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 23 TRP QB 23 TRP HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 343, 344,
&end
#
# 23 TRP HN 24 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 363, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HN 25 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HN 26 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HN 52 MET QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 795, 796, 797,
&end
#
# 57 ILE QD1 23 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 874, 875, 876,
&end
#
# 57 ILE QG2 23 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 867, 868, 869,
&end
#
# 23 TRP HZ2 51 ALA HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 776, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HZ2 51 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 23 TRP HZ2 54 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 823, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HZ2 55 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 352, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HZ2 55 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HZ2 55 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 23 TRP QB 24 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 343, 344,
&end
#
# 24 ALA HN 24 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 363, 365, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 24 ALA HA 24 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 367, 368, 369,
&end
#
# 24 ALA HA 25 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 373, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLN HN 24 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ALA HA 27 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 TYR QB 24 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 416, 417,
&end
#
# 24 ALA HA 28 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 365, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 LEU HN 24 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LEU QQD 24 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 24 ALA HN 24 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 367, 368, 369,
&end
#
# 24 ALA HN 25 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 ALA HN 26 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ALA HN 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ALA QB 25 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 367, 368, 369,
&end
#
# 28 LEU HN 24 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 367, 368, 369,
&end
#
# 24 ALA QB 6 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 367, 368, 369,
igr2= 104, 105, 106,
&end
#
# 24 ALA QB 6 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 367, 368, 369,
igr2= 97, 98, 99,
&end
#
# 25 LYS+ HA 25 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 375, 373, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 LYS+ QB 25 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 377, 378,
&end
#
# 25 LYS+ HA 25 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 383, 384,
&end
#
# 25 LYS+ HA 25 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 380, 381,
&end
#
# 26 GLN HN 25 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 375, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 LYS+ HA 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LYS+ HA 28 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LYS+ HA 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 25 LYS+ QB 25 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 377, 378,
&end
#
# 25 LYS+ QG 25 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 380, 381,
&end
#
# 26 GLN HN 25 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 373, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN QG 25 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 402, 403,
&end
#
# 28 LEU QQD 25 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 25 LYS+ HN 34 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 26 GLN HN 25 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 377, 378,
&end
#
# 26 GLN QE2 25 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 407, 408,
igr2= 377, 378,
&end
#
# 25 LYS+ QB 30 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 377, 378,
&end
#
# 25 LYS+ QE 61 ASN QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 386, 387,
igr2= 926, 927,
&end
#
# 25 LYS+ QG 26 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 380, 381,
&end
#
# 25 LYS+ QG 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 380, 381,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 26 GLN HA 26 GLN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 397, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 26 GLN HA 26 GLN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 399, 400,
&end
#
# 26 GLN HA 26 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 26 GLN HA 26 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 402, 403,
&end
#
# 27 TYR HN 26 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 412, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ASP- HN 26 GLN HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 459, 397, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 GLN HN 26 GLN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 399, 400,
&end
#
# 26 GLN QE2 26 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 26 GLN HN 26 GLN QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 402, 403,
&end
#
# 26 GLN HN 27 TYR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 395, 412, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 LEU HN 26 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 LEU QQD 26 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 34 VAL QQG 26 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 26 GLN HN 57 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 874, 875, 876,
&end
#
# 57 ILE QG2 26 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 867, 868, 869,
&end
#
# 26 GLN QE2 26 GLN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 407, 408,
igr2= 399, 400,
&end
#
# 27 TYR HN 26 GLN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 399, 400,
&end
#
# 57 ILE QD1 26 GLN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 874, 875, 876,
igr2= 399, 400,
&end
#
# 26 GLN QE2 26 GLN QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 407, 408,
igr2= 402, 403,
&end
#
# 26 GLN QE2 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 407, 408,
&end
#
# 52 MET QE 26 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 795, 796, 797,
igr2= 407, 408,
&end
#
# 57 ILE HA 26 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 407, 408,
&end
#
# 26 GLN QE2 57 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 407, 408,
igr2= 874, 875, 876,
&end
#
# 57 ILE QG1 26 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 871, 872,
igr2= 407, 408,
&end
#
# 57 ILE QG2 26 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 867, 868, 869,
igr2= 407, 408,
&end
#
# 59 ILE QG2 26 GLN QE2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 898, 899, 900,
igr2= 407, 408,
&end
#
# 27 TYR HN 26 GLN QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 402, 403,
&end
#
# 57 ILE HA 26 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 402, 403,
&end
#
# 57 ILE QD1 26 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 874, 875, 876,
igr2= 402, 403,
&end
#
# 27 TYR HN 27 TYR QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 416, 417,
&end
#
# 27 TYR QE 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 28 LEU HA 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU HG 27 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 440, 412, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 TYR HN 28 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 412, 433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 LEU QQD 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 29 GLY HN 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ILE QD1 27 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 28 LEU HN 27 TYR QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 416, 417,
&end
#
# 27 TYR QB 29 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 416, 417,
&end
#
# 28 LEU HG 28 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 440, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LEU HN 28 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LEU QB 28 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 437, 438,
&end
#
# 28 LEU HA 28 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 29 GLY HN 28 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 LEU HA 32 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 435, 496, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 LEU HN 28 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 433, 440, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 LEU HG 28 LEU QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 437, 438,
&end
#
# 28 LEU QQD 28 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU HN 28 LEU QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 437, 438,
&end
#
# 28 LEU QQD 28 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU HN 29 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 452, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 TRP QB 28 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 490, 491,
&end
#
# 28 LEU QB 28 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 437, 438,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QB 29 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 437, 438,
&end
#
# 28 LEU QB 30 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 437, 438,
&end
#
# 30 ASP- QB 28 LEU QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 463, 464,
igr2= 437, 438,
&end
#
# 28 LEU QB 32 TRP HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 437, 438,
&end
#
# 32 TRP HD1 28 LEU QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 437, 438,
&end
#
# 28 LEU QB 32 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 437, 438,
&end
#
# 28 LEU QB 32 TRP QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 437, 438,
igr2= 490, 491,
&end
#
# 28 LEU QQD 29 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 32 TRP HD1 28 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QQD 32 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QQD 32 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 32 TRP QB 28 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 490, 491,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QQD 33 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QQD 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 28 LEU QQD 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QQD 6 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 104, 105, 106,
&end
#
# 28 LEU QQD 6 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 97, 98, 99,
&end
#
# 29 GLY HN 29 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 454, 455,
&end
#
# 29 GLY HN 30 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLY HN 31 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 TRP HD1 29 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 GLY HN 32 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 452, 496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 30 ASP- HN 29 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 454, 455,
&end
#
# 31 GLU- HN 29 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 454, 455,
&end
#
# 32 TRP HN 29 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 454, 455,
&end
#
# 3 ASN HN 3 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 40, 41,
&end
#
# 3 ASN QD2 3 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 45, 46,
&end
#
# 4 LYS+ HA 3 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 52, 36, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LYS+ HN 3 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ASN QD2 3 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 45, 46,
igr2= 40, 41,
&end
#
# 31 GLU- HA 3 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 40, 41,
&end
#
# 3 ASN QB 33 LYS+ HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 40, 41,
&end
#
# 33 LYS+ HN 3 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 40, 41,
&end
#
# 3 ASN QB 33 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 40, 41,
igr2= 520, 521,
&end
#
# 33 LYS+ QG 3 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 517, 518,
igr2= 40, 41,
&end
#
# 4 LYS+ HN 3 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 40, 41,
&end
#
# 5 ILE QD1 3 ASN QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 85, 86, 87,
igr2= 40, 41,
&end
#
# 30 ASP- HA 3 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 45, 46,
&end
#
# 3 ASN QD2 31 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 45, 46,
&end
#
# 31 GLU- HN 3 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 45, 46,
&end
#
# 31 GLU- QB 3 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 475, 476,
igr2= 45, 46,
&end
#
# 3 ASN QD2 32 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 45, 46,
&end
#
# 3 ASN QD2 32 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 45, 46,
&end
#
# 33 LYS+ HA 3 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 45, 46,
&end
#
# 3 ASN QD2 33 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 45, 46,
&end
#
# 33 LYS+ QB 3 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 514, 515,
igr2= 45, 46,
&end
#
# 33 LYS+ QD 3 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 520, 521,
igr2= 45, 46,
&end
#
# 33 LYS+ QE 3 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 523, 524,
igr2= 45, 46,
&end
#
# 33 LYS+ QG 3 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 517, 518,
igr2= 45, 46,
&end
#
# 3 ASN QD2 4 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 45, 46,
&end
#
# 5 ILE HN 3 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 45, 46,
&end
#
# 5 ILE QD1 3 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 85, 86, 87,
igr2= 45, 46,
&end
#
# 30 ASP- HN 30 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 459, 461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 30 ASP- HA 30 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 463, 464,
&end
#
# 31 GLU- HN 30 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 471, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ASP- HA 31 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 478, 479,
&end
#
# 32 TRP HN 30 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ASP- HN 30 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 463, 464,
&end
#
# 31 GLU- HN 30 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 471, 459, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 GLU- QG 30 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 478, 479,
&end
#
# 32 TRP HD1 30 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 ASP- HN 32 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 459, 486, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 30 ASP- QB 31 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 463, 464,
&end
#
# 32 TRP HN 30 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 463, 464,
&end
#
# 31 GLU- HN 31 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 471, 473, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 GLU- QB 31 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 475, 476,
&end
#
# 31 GLU- HA 31 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 478, 479,
&end
#
# 32 TRP HN 31 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 473, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS+ HN 31 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU- HN 31 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 475, 476,
&end
#
# 31 GLU- HN 31 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 478, 479,
&end
#
# 32 TRP HA 31 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HD1 31 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 GLU- HN 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 471, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 GLU- HN 32 TRP HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 471, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 31 GLU- QB 32 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 475, 476,
&end
#
# 31 GLU- QB 32 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 475, 476,
&end
#
# 32 TRP HE1 31 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 478, 479,
&end
#
# 31 GLU- QG 32 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 478, 479,
&end
#
# 32 TRP HA 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HN 32 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 TRP QB 32 TRP HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 490, 491,
&end
#
# 33 LYS+ HN 32 TRP HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 510, 488, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 LYS+ HN 32 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS+ QB 32 TRP HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 488, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 54, 55,
&end
#
# 32 TRP HA 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HA 6 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 97, 98, 99,
&end
#
# 32 TRP HD1 32 TRP HE1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 494, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 TRP HD1 32 TRP HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 TRP HD1 32 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 490, 491,
&end
#
# 32 TRP HH2 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HE1 32 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 496, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HZ2 32 TRP HE1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 499, 496, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 TRP QB 32 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 490, 491,
&end
#
# 4 LYS+ QB 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 54, 55,
&end
#
# 4 LYS+ QD 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 60, 61,
&end
#
# 32 TRP HN 32 TRP QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 490, 491,
&end
#
# 32 TRP HN 33 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 510, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LYS+ HN 32 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HZ3 6 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 503, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HZ3 77 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 503,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS+ HN 32 TRP QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 490, 491,
&end
#
# 32 TRP QB 34 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 490, 491,
&end
#
# 32 TRP QB 34 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 490, 491,
&end
#
# 32 TRP QB 34 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 490, 491,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 32 TRP QB 6 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 490, 491,
igr2= 97, 98, 99,
&end
#
# 33 LYS+ HN 33 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 LYS+ HA 33 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 514, 515,
&end
#
# 33 LYS+ QD 33 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 520, 521,
&end
#
# 33 LYS+ QE 33 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 523, 524,
&end
#
# 33 LYS+ HA 33 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 517, 518,
&end
#
# 34 VAL HN 33 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 532, 512, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 VAL QQG 33 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 33 LYS+ HA 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 512, 91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS+ HN 33 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 514, 515,
&end
#
# 33 LYS+ QD 33 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 520, 521,
&end
#
# 33 LYS+ QG 33 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 517, 518,
&end
#
# 34 VAL HA 33 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 534, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS+ HN 34 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 510, 532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR QE 33 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 558, 563,
&end
#
# 4 LYS+ HA 33 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 52, 510, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS+ HN 4 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 510, 50, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 LYS+ QB 33 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 54, 55,
&end
#
# 5 ILE HA 33 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 510, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE QG1 33 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 82, 83,
&end
#
# 5 ILE QG2 33 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 78, 79, 80,
&end
#
# 33 LYS+ HN 6 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 510, 91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 LYS+ HN 6 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 97, 98, 99,
&end
#
# 33 LYS+ QE 33 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 523, 524,
igr2= 514, 515,
&end
#
# 33 LYS+ QG 33 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 517, 518,
igr2= 514, 515,
&end
#
# 34 VAL HN 33 LYS+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 514, 515,
&end
#
# 35 TYR QE 33 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 558, 563,
igr2= 514, 515,
&end
#
# 33 LYS+ QB 4 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 514, 515,
&end
#
# 5 ILE HA 33 LYS+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 514, 515,
&end
#
# 6 ILE HN 33 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 515,
&end
#
# 33 LYS+ QE 33 LYS+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 523, 524,
igr2= 520, 521,
&end
#
# 33 LYS+ QD 34 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 520, 521,
&end
#
# 33 LYS+ QE 34 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 523, 524,
&end
#
# 34 VAL HN 33 LYS+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 517, 518,
&end
#
# 33 LYS+ QG 34 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 517, 518,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 33 LYS+ QG 5 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 517, 518,
igr2= 82, 83,
&end
#
# 34 VAL HB 34 VAL HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 VAL HA 34 VAL HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 534, 532, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 VAL HA 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 35 TYR HN 34 VAL HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 548, 534, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 VAL HA 5 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 78, 79, 80,
&end
#
# 34 VAL HA 6 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 534, 91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 VAL HA 6 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 97, 98, 99,
&end
#
# 34 VAL HB 34 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 536, 532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 VAL HB 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 34 VAL HB 35 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 536, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 VAL HN 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 35 TYR HN 34 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR QE 34 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 558, 563,
&end
#
# 5 ILE HA 34 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE QG2 34 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 78, 79, 80,
&end
#
# 6 ILE HN 34 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 VAL QQG 35 TYR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 35 TYR HN 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 34 VAL QQG 36 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 34 VAL QQG 6 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 34 VAL QQG 6 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 97, 98, 99,
&end
#
# 8 PHE QB 34 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 135, 136,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 8 PHE QE 34 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 141, 145,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 35 TYR HA 35 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 550, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR QB 35 TYR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 552, 553,
&end
#
# 36 SER HN 35 TYR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 569, 550, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 TYR QB 35 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 552, 553,
&end
#
# 35 TYR QE 35 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 558, 563,
&end
#
# 36 SER HN 35 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 569, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR HN 6 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 ILE QD1 35 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 104, 105, 106,
&end
#
# 35 TYR HN 6 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 97, 98, 99,
&end
#
# 7 TYR HA 35 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 112, 548, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HN 7 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ILE QG2 35 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 35 TYR HN 8 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 PHE QE 35 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 141, 145,
&end
#
# 35 TYR QE 35 TYR QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 558, 563,
igr2= 552, 553,
&end
#
# 35 TYR QB 36 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 552, 553,
&end
#
# 35 TYR QB 71 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 552, 553,
igr2=1076,1077,1078,
&end
#
# 35 TYR QB 71 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 552, 553,
igr2=1069,1070,1071,
&end
#
# 35 TYR QB 8 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 552, 553,
&end
#
# 35 TYR QE 5 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 558, 563,
igr2= 85, 86, 87,
&end
#
# 35 TYR QE 5 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 558, 563,
igr2= 78, 79, 80,
&end
#
# 35 TYR QE 6 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 558, 563,
&end
#
# 35 TYR QE 71 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 558, 563,
igr2=1076,1077,1078,
&end
#
# 35 TYR QE 71 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 558, 563,
igr2=1069,1070,1071,
&end
#
# 36 SER HA 36 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 571, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 36 SER HA 36 SER QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 573, 574,
&end
#
# 37 ALA HN 36 SER HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 580, 571, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 SER HA 7 TYR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 571, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 PHE HN 36 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 131, 571, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 PHE QB 36 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 135, 136,
&end
#
# 9 LEU QQD 36 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 36 SER QB 36 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 573, 574,
&end
#
# 36 SER HN 37 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 569, 580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TYR HA 36 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 112, 569, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR QE 36 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 125,
&end
#
# 71 ILE QG2 36 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 36 SER HN 8 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 569, 131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 SER QB 37 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 573, 574,
&end
#
# 36 SER QB 8 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 573, 574,
&end
#
# 37 ALA HN 37 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 580, 582, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 ALA HA 37 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 584, 585, 586,
&end
#
# 38 GLY HN 37 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 590, 582, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 37 ALA HA 65 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 582, 978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ALA HA 65 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 982, 983,
&end
#
# 67 ILE HA 37 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1011, 582, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HA 67 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 582,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HN 37 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 584, 585, 586,
&end
#
# 38 GLY HN 37 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLY QA 37 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 593,
&end
#
# 7 TYR HA 37 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 112, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR QE 37 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 125,
&end
#
# 37 ALA HN 8 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 580, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU HA 37 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 153, 580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU HG 37 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HN 9 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 580, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU QQD 37 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 38 GLY HN 37 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 584, 585, 586,
&end
#
# 65 ASP- HN 37 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 584, 585, 586,
&end
#
# 37 ALA QB 65 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 584, 585, 586,
igr2= 982, 983,
&end
#
# 37 ALA QB 66 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 584, 585, 586,
&end
#
# 66 ILE HN 37 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 584, 585, 586,
&end
#
# 37 ALA QB 67 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 584, 585, 586,
&end
#
# 67 ILE HN 37 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 584, 585, 586,
&end
#
# 67 ILE QD1 37 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1022,1023,1024,
igr2= 584, 585, 586,
&end
#
# 37 ALA QB 67 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 584, 585, 586,
igr2=1019,1020,
&end
#
# 7 TYR HH 37 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 584, 585, 586,
&end
#
# 7 TYR QE 37 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 120, 125,
igr2= 584, 585, 586,
&end
#
# 9 LEU QQD 37 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 160, 161, 162, 164, 165, 166,
igr2= 584, 585, 586,
&end
#
# 38 GLY HN 38 GLY QA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 592, 593,
&end
#
# 39 ILE HN 38 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLU- HN 38 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 41 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 635, 636, 637,
&end
#
# 38 GLY HN 65 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 66 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLY HN 66 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 66 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 66 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 996, 997, 998,
&end
#
# 67 ILE HA 38 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1011, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE HB 38 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1013, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLY HN 67 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 590,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE QD1 38 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1022,1023,1024,
&end
#
# 67 ILE QG1 38 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1019,1020,
&end
#
# 7 TYR QE 38 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 120, 125,
&end
#
# 9 LEU QQD 38 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 39 ILE HN 38 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 592, 593,
&end
#
# 38 GLY QA 40 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 592, 593,
&end
#
# 90 PRO HA 38 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 592, 593,
&end
#
# 39 ILE HB 39 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 601, 599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ILE HA 39 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 599, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ILE QD1 39 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 610, 611, 612,
&end
#
# 39 ILE QG1 39 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 607, 608,
&end
#
# 39 ILE HA 39 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 603, 604, 605,
&end
#
# 39 ILE HA 40 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ILE HA 66 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 996, 997, 998,
&end
#
# 39 ILE HA 67 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 599,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE QD1 39 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1022,1023,1024,
&end
#
# 39 ILE HB 39 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 601, 597, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 ILE HB 39 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 610, 611, 612,
&end
#
# 39 ILE HB 39 ILE QG1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 607, 608,
&end
#
# 39 ILE HB 39 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 603, 604, 605,
&end
#
# 40 GLU- HN 39 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE HB 67 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1022,1023,1024,
&end
#
# 39 ILE QD1 39 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 610, 611, 612,
&end
#
# 39 ILE QG1 39 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 607, 608,
&end
#
# 39 ILE HN 39 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 603, 604, 605,
&end
#
# 39 ILE HN 40 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 597, 616, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 ILE QD1 39 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1022,1023,1024,
&end
#
# 9 LEU QQD 39 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 90 PRO QB 39 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1335,1336,
&end
#
# 90 PRO QD 39 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1330,
&end
#
# 90 PRO QG 39 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1332,1333,
&end
#
# 39 ILE QD1 39 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 610, 611, 612,
igr2= 607, 608,
&end
#
# 39 ILE QD1 40 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 610, 611, 612,
&end
#
# 39 ILE QD1 40 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 610, 611, 612,
igr2= 623, 624,
&end
#
# 39 ILE QD1 88 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 610, 611, 612,
&end
#
# 39 ILE QD1 88 LYS+ QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 610, 611, 612,
igr2=1309,1310,
&end
#
# 39 ILE QD1 89 CYX HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 610, 611, 612,
&end
#
# 39 ILE QD1 89 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 610, 611, 612,
&end
#
# 39 ILE QD1 90 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 610, 611, 612,
&end
#
# 90 PRO QB 39 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1335,1336,
igr2= 610, 611, 612,
&end
#
# 67 ILE QD1 39 ILE QG1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1022,1023,1024,
igr2= 607, 608,
&end
#
# 90 PRO QB 39 ILE QG1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1335,1336,
igr2= 607, 608,
&end
#
# 40 GLU- HN 39 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 603, 604, 605,
&end
#
# 39 ILE QG2 40 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 603, 604, 605,
igr2= 623, 624,
&end
#
# 4 LYS+ HN 4 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS+ HA 4 LYS+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 54, 55,
&end
#
# 4 LYS+ HA 4 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 60, 61,
&end
#
# 4 LYS+ HA 5 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 52, 72, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ILE QD1 4 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 85, 86, 87,
&end
#
# 4 LYS+ QB 4 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 54, 55,
&end
#
# 4 LYS+ HN 5 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 72, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE QG1 4 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 82, 83,
&end
#
# 4 LYS+ QD 4 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 60, 61,
igr2= 54, 55,
&end
#
# 4 LYS+ QB 4 LYS+ QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 54, 55,
igr2= 63, 64,
&end
#
# 4 LYS+ QB 5 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 54, 55,
&end
#
# 4 LYS+ QB 76 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 54, 55,
igr2=1143,1144,
&end
#
# 4 LYS+ QD 4 LYS+ QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 60, 61,
igr2= 63, 64,
&end
#
# 4 LYS+ QD 5 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 60, 61,
&end
#
# 5 ILE QD1 4 LYS+ QE 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 85, 86, 87,
igr2= 63, 64,
&end
#
# 40 GLU- HA 40 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 GLU- HA 40 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 620, 621,
&end
#
# 40 GLU- HA 40 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 623, 624,
&end
#
# 41 ALA HN 40 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 631, 618, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 ILE HB 40 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 994, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLU- HA 66 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1003,1004,1005,
&end
#
# 40 GLU- HA 66 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 996, 997, 998,
&end
#
# 40 GLU- QB 40 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 620, 621,
&end
#
# 40 GLU- HN 40 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 623, 624,
&end
#
# 41 ALA HA 40 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ILE HA 40 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 992, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE QD1 40 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1022,1023,1024,
&end
#
# 40 GLU- QB 40 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 620, 621,
igr2= 623, 624,
&end
#
# 41 ALA HN 40 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 620, 621,
&end
#
# 40 GLU- QB 66 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 620, 621,
igr2=1003,1004,1005,
&end
#
# 41 ALA HN 40 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 623, 624,
&end
#
# 41 ALA HN 41 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 633, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 ALA HA 41 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 635, 636, 637,
&end
#
# 41 ALA HA 42 HIS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 641, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 ALA HA 43 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ALA HA 65 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 633, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ALA HN 41 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 635, 636, 637,
&end
#
# 42 HIS HE1 41 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 651, 631, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ALA HN 42 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ALA HN 65 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ILE HA 41 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 992, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ILE HB 41 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 994, 631, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 41 ALA HN 66 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1003,1004,1005,
&end
#
# 66 ILE QG1 41 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1000,1001,
&end
#
# 41 ALA HN 66 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 996, 997, 998,
&end
#
# 41 ALA QB 42 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 635, 636, 637,
&end
#
# 43 GLY HN 41 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 635, 636, 637,
&end
#
# 41 ALA QB 64 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 635, 636, 637,
&end
#
# 64 SER QB 41 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 971, 972,
igr2= 635, 636, 637,
&end
#
# 41 ALA QB 65 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 635, 636, 637,
&end
#
# 42 HIS QB 42 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 645, 646,
&end
#
# 43 GLY HN 42 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 658, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 LEU HA 42 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 667, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 HIS QB 43 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 645, 646,
&end
#
# 43 GLY QA 43 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 660, 661,
&end
#
# 44 LEU HA 43 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 667, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLY HN 44 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 658, 665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 SER HN 43 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 967, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 SER QB 43 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 971, 972,
&end
#
# 65 ASP- HN 43 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 978, 658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 GLY QA 44 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 660, 661,
&end
#
# 43 GLY QA 64 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 660, 661,
&end
#
# 43 GLY QA 64 SER QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 660, 661,
igr2= 971, 972,
&end
#
# 44 LEU HA 44 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 667, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HA 44 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 667, 665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU QB 44 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 669, 670,
&end
#
# 44 LEU HA 44 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 45 ASN HN 44 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 684, 667, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 LEU HA 48 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 730, 731, 732,
&end
#
# 44 LEU HG 44 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 672, 665, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HG 44 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 669, 670,
&end
#
# 44 LEU QQD 44 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU HG 45 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 672, 684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU QB 44 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 669, 670,
&end
#
# 44 LEU QQD 44 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU HN 45 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 665, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL QQG 44 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 742, 743, 744, 746, 747, 748,
&end
#
# 64 SER QB 44 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 971, 972,
&end
#
# 44 LEU QB 44 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 669, 670,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 45 ASN HN 44 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 669, 670,
&end
#
# 44 LEU QB 49 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 669, 670,
&end
#
# 44 LEU QB 49 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 669, 670,
&end
#
# 44 LEU QB 49 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 669, 670,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 44 LEU QB 59 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 669, 670,
&end
#
# 44 LEU QB 59 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 669, 670,
&end
#
# 44 LEU QB 59 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 669, 670,
igr2= 905, 906, 907,
&end
#
# 44 LEU QB 59 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 669, 670,
igr2= 898, 899, 900,
&end
#
# 44 LEU QB 60 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 669, 670,
&end
#
# 44 LEU QB 62 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 669, 670,
igr2= 948, 949,
&end
#
# 45 ASN HN 44 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 48 ALA QB 44 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 730, 731, 732,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 49 VAL HB 44 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 49 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 60 SER HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 60 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 61 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 62 GLN HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 62 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 62 GLN QB 44 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 940, 941,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 63 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 64 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 45 ASN HA 45 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 686, 684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ASN QB 45 ASN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 688, 689,
&end
#
# 45 ASN QD2 45 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 693, 694,
&end
#
# 45 ASN HA 46 PRO QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 699, 700,
&end
#
# 45 ASN HA 46 PRO QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 702, 703,
&end
#
# 45 ASN HA 47 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 686, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ASN HA 48 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 686, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASN QB 45 ASN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 688, 689,
&end
#
# 47 ASN HN 45 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 712, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASN HN 48 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 730, 731, 732,
&end
#
# 49 VAL HN 45 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 736, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ASN QB 45 ASN QD2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 688, 689,
igr2= 693, 694,
&end
#
# 45 ASN QB 47 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 688, 689,
&end
#
# 45 ASN QB 48 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 688, 689,
igr2= 730, 731, 732,
&end
#
# 45 ASN QB 49 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 688, 689,
&end
#
# 46 PRO QD 45 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 699, 700,
igr2= 693, 694,
&end
#
# 45 ASN QD2 47 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 693, 694,
&end
#
# 47 ASN QD2 45 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 721, 722,
igr2= 693, 694,
&end
#
# 48 ALA QB 45 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 730, 731, 732,
igr2= 693, 694,
&end
#
# 46 PRO HA 46 PRO QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 705, 706,
&end
#
# 46 PRO HA 46 PRO QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 699, 700,
&end
#
# 46 PRO HA 46 PRO QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 702, 703,
&end
#
# 47 ASN HN 46 PRO HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 712, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 PRO HA 49 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 708, 740, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 VAL HN 46 PRO HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 736, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 PRO HA 49 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 46 PRO QD 46 PRO QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 699, 700,
igr2= 705, 706,
&end
#
# 46 PRO QB 46 PRO QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 705, 706,
igr2= 702, 703,
&end
#
# 47 ASN HN 46 PRO QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 705, 706,
&end
#
# 46 PRO QD 46 PRO QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 699, 700,
igr2= 702, 703,
&end
#
# 46 PRO QD 47 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 699, 700,
&end
#
# 46 PRO QD 47 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 699, 700,
igr2= 721, 722,
&end
#
# 46 PRO QD 48 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 699, 700,
&end
#
# 47 ASN HN 46 PRO QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 702, 703,
&end
#
# 47 ASN HN 47 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 ASN QB 47 ASN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 716, 717,
&end
#
# 47 ASN HA 47 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 721, 722,
&end
#
# 48 ALA HN 47 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 726, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 VAL HN 47 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 736, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LYS+ HN 47 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 ALA HN 47 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ASN HA 51 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 47 ASN HN 47 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 47 ASN QD2 47 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 721, 722,
&end
#
# 47 ASN HN 48 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 712, 726, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 VAL HB 47 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 740, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ASN HN 49 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 712, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ASN QB 47 ASN QD2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 716, 717,
igr2= 721, 722,
&end
#
# 47 ASN QB 48 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 716, 717,
&end
#
# 47 ASN QB 51 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 716, 717,
&end
#
# 47 ASN QD2 48 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 721, 722,
&end
#
# 48 ALA HN 48 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 726, 728, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 ALA HA 48 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 730, 731, 732,
&end
#
# 48 ALA HN 48 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 730, 731, 732,
&end
#
# 48 ALA HN 49 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 VAL HN 48 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 730, 731, 732,
&end
#
# 49 VAL HA 49 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 740, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HA 49 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 VAL HA 49 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 50 LYS+ HN 49 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 738, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HA 52 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 VAL HA 59 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 892, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 VAL HA 59 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 905, 906, 907,
&end
#
# 49 VAL HA 59 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 898, 899, 900,
&end
#
# 49 VAL HN 49 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 VAL HB 49 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 50 LYS+ HN 49 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 VAL HN 49 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 50 LYS+ HA 49 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HN 50 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 736, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 ALA HN 49 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HN 51 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 778, 779, 780,
&end
#
# 59 ILE QD1 49 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 905, 906, 907,
&end
#
# 50 LYS+ HN 49 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 49 VAL QQG 53 LYS+ QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 811, 812,
&end
#
# 49 VAL QQG 53 LYS+ QE 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 814, 815,
&end
#
# 49 VAL QQG 58 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 884, 885,
&end
#
# 60 SER HA 49 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 60 SER HN 49 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 60 SER QB 49 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 915, 916,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 49 VAL QQG 61 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 742, 743, 744, 746, 747, 748,
&end
#
# 5 ILE HA 5 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HA 5 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 72, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HA 5 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 85, 86, 87,
&end
#
# 5 ILE QG1 5 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 82, 83,
&end
#
# 5 ILE QG2 5 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 78, 79, 80,
&end
#
# 6 ILE HN 5 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 91, 74, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ILE HA 6 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 97, 98, 99,
&end
#
# 5 ILE HA 76 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 74,1139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE HB 5 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 76, 72, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ILE QG1 5 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 82, 83,
&end
#
# 5 ILE HB 74 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 76,1115, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 5 ILE HB 75 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 76,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 ILE HB 75 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 76,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ALA QB 5 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 76, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1133,1134,1135,
&end
#
# 76 ASP- HN 5 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1139, 76, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 ILE HN 5 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 85, 86, 87,
&end
#
# 5 ILE QG1 5 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 82, 83,
&end
#
# 5 ILE QG2 5 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 78, 79, 80,
&end
#
# 5 ILE HN 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 72, 91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HN 75 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 72,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ALA QB 5 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1133,1134,1135,
&end
#
# 5 ILE HN 76 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 72,1139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 76 ASP- QB 5 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1143,1144,
&end
#
# 5 ILE HN 77 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 72,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ILE QG2 5 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1069,1070,1071,
igr2= 85, 86, 87,
&end
#
# 5 ILE QD1 74 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 85, 86, 87,
igr2=1119,1120,
&end
#
# 5 ILE QD1 74 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 85, 86, 87,
igr2=1124,1125,
&end
#
# 75 ALA HA 5 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 85, 86, 87,
&end
#
# 76 ASP- HN 5 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 85, 86, 87,
&end
#
# 5 ILE QD1 77 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 85, 86, 87,
&end
#
# 5 ILE QG1 6 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 82, 83,
&end
#
# 5 ILE QG1 76 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 82, 83,
&end
#
# 6 ILE HN 5 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 78, 79, 80,
&end
#
# 7 TYR QB 5 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 114, 115,
igr2= 78, 79, 80,
&end
#
# 5 ILE QG2 71 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 78, 79, 80,
igr2=1069,1070,1071,
&end
#
# 5 ILE QG2 75 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 78, 79, 80,
&end
#
# 75 ALA QB 5 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1133,1134,1135,
igr2= 78, 79, 80,
&end
#
# 5 ILE QG2 76 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 78, 79, 80,
&end
#
# 50 LYS+ HA 50 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LYS+ HA 51 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LYS+ HA 52 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LYS+ HA 53 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LYS+ HA 53 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 811, 812,
&end
#
# 50 LYS+ HA 54 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 754, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LYS+ QB 50 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 756, 757,
&end
#
# 50 LYS+ QG 50 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 759, 760,
&end
#
# 50 LYS+ HN 51 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LYS+ HN 52 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LYS+ QB 51 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 756, 757,
&end
#
# 54 GLU- QB 50 LYS+ QE 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 827, 828,
igr2= 765, 766,
&end
#
# 54 GLU- QB 51 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 827, 828,
&end
#
# 51 ALA HN 51 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 778, 779, 780,
&end
#
# 51 ALA HN 52 MET HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 MET QG 51 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 791, 792,
&end
#
# 51 ALA HN 53 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 51 ALA HN 54 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ALA HN 54 GLU- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 827, 828,
&end
#
# 52 MET HN 51 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 778, 779, 780,
&end
#
# 52 MET HA 52 MET HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 MET QG 52 MET HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 791, 792,
&end
#
# 52 MET HA 53 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET HA 54 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 823, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET HA 55 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET HA 55 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 52 MET HA 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 MET HA 57 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET QB 52 MET HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 788, 789,
&end
#
# 52 MET QE 52 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 795, 796, 797,
&end
#
# 52 MET HN 52 MET QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 791, 792,
&end
#
# 52 MET HN 53 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 784, 801, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 VAL HN 52 MET HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 MET QB 52 MET QE 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 788, 789,
igr2= 795, 796, 797,
&end
#
# 52 MET QB 52 MET QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 788, 789,
igr2= 791, 792,
&end
#
# 52 MET QB 53 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 788, 789,
&end
#
# 52 MET QB 55 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 788, 789,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 52 MET QB 57 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 788, 789,
&end
#
# 52 MET QB 57 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 788, 789,
&end
#
# 52 MET QB 57 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 788, 789,
igr2= 867, 868, 869,
&end
#
# 52 MET QB 59 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 788, 789,
&end
#
# 52 MET QB 59 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 788, 789,
igr2= 898, 899, 900,
&end
#
# 52 MET QG 52 MET QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 791, 792,
igr2= 795, 796, 797,
&end
#
# 52 MET QE 55 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 795, 796, 797,
&end
#
# 52 MET QE 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 795, 796, 797,
&end
#
# 57 ILE HA 52 MET QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 795, 796, 797,
&end
#
# 52 MET QE 57 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 795, 796, 797,
&end
#
# 52 MET QE 57 ILE QD1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 795, 796, 797,
igr2= 874, 875, 876,
&end
#
# 52 MET QE 57 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 795, 796, 797,
igr2= 867, 868, 869,
&end
#
# 52 MET QE 58 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 795, 796, 797,
&end
#
# 52 MET QG 53 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 791, 792,
&end
#
# 52 MET QG 59 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 791, 792,
igr2= 905, 906, 907,
&end
#
# 59 ILE QG2 52 MET QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 898, 899, 900,
igr2= 791, 792,
&end
#
# 53 LYS+ HN 53 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 801, 803, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 LYS+ HA 53 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 805, 806,
&end
#
# 53 LYS+ HA 53 LYS+ QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 811, 812,
&end
#
# 53 LYS+ QG 53 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 808, 809,
&end
#
# 54 GLU- HN 53 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 823, 803, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS+ HA 55 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 53 LYS+ HA 56 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 854, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS+ HA 57 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS+ HA 58 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS+ HN 53 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 805, 806,
&end
#
# 53 LYS+ QD 53 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 811, 812,
&end
#
# 53 LYS+ QE 53 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 814, 815,
&end
#
# 53 LYS+ QG 53 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 808, 809,
&end
#
# 54 GLU- HA 53 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS+ HN 54 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 801, 823, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 LYS+ HN 55 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 801, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 VAL QQG 53 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 53 LYS+ HN 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 801, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 LYS+ HN 57 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 801, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ASP- HA 53 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE QD1 53 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 905, 906, 907,
&end
#
# 54 GLU- HN 53 LYS+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 805, 806,
&end
#
# 53 LYS+ QD 53 LYS+ QE 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 811, 812,
igr2= 814, 815,
&end
#
# 53 LYS+ QG 53 LYS+ QE 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 808, 809,
igr2= 814, 815,
&end
#
# 53 LYS+ QE 57 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 814, 815,
&end
#
# 58 ASP- HN 53 LYS+ QE 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 814, 815,
&end
#
# 53 LYS+ QG 54 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 808, 809,
&end
#
# 53 LYS+ QG 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 808, 809,
&end
#
# 56 GLY QA 53 LYS+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 856, 857,
igr2= 808, 809,
&end
#
# 53 LYS+ QG 57 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 808, 809,
&end
#
# 54 GLU- HN 54 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 823, 825, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 GLU- HA 54 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 827, 828,
&end
#
# 54 GLU- HA 54 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 830, 831,
&end
#
# 55 VAL HN 54 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 GLU- HA 55 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 56 GLY HN 54 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 854, 825, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLU- HN 54 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 827, 828,
&end
#
# 54 GLU- HN 54 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 830, 831,
&end
#
# 55 VAL HA 54 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 840, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 GLU- HN 55 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 54 GLU- HN 55 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 54 GLU- HN 56 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 823, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 GLU- QB 54 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 827, 828,
igr2= 830, 831,
&end
#
# 55 VAL HN 54 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 827, 828,
&end
#
# 55 VAL QQG 54 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 827, 828,
&end
#
# 55 VAL HN 54 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 830, 831,
&end
#
# 55 VAL QQG 54 GLU- QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 830, 831,
&end
#
# 55 VAL HA 55 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 840, 842, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 VAL HN 55 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 VAL HA 55 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 56 GLY HN 55 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 854, 840, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 VAL HA 57 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 840, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 VAL HN 55 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 VAL QQG 55 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 56 GLY HN 55 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 854, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ILE QD1 55 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 55 VAL HN 55 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 55 VAL HN 56 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 838, 854, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 56 GLY QA 55 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 856, 857,
&end
#
# 55 VAL HN 57 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ILE QD1 55 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 55 VAL QQG 56 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 55 VAL QQG 56 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 856, 857,
&end
#
# 55 VAL QQG 57 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 55 VAL QQG 57 ILE QD1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 874, 875, 876,
&end
#
# 55 VAL QQG 58 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 56 GLY QA 56 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 856, 857,
&end
#
# 57 ILE QD1 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 57 ILE QG1 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 871, 872,
&end
#
# 57 ILE QG2 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 867, 868, 869,
&end
#
# 56 GLY QA 57 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 856, 857,
&end
#
# 57 ILE HB 57 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 865, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ILE HN 57 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 861, 863, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 ILE HA 57 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&end
#
# 57 ILE QG1 57 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 871, 872,
&end
#
# 57 ILE HA 57 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 867, 868, 869,
&end
#
# 57 ILE HA 58 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 863, 880, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 ILE HN 57 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 861, 865, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 ILE QD1 57 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 874, 875, 876,
&end
#
# 57 ILE HB 57 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 871, 872,
&end
#
# 57 ILE HB 57 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 867, 868, 869,
&end
#
# 57 ILE QD1 57 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 874, 875, 876,
&end
#
# 57 ILE QG1 57 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 871, 872,
&end
#
# 57 ILE HN 57 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 867, 868, 869,
&end
#
# 58 ASP- HA 57 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ILE HN 58 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 861, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 ILE QD1 57 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 874, 875, 876,
igr2= 871, 872,
&end
#
# 57 ILE QD1 57 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 874, 875, 876,
igr2= 867, 868, 869,
&end
#
# 57 ILE QD1 58 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 57 ILE QG1 58 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 871, 872,
&end
#
# 57 ILE QG2 58 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 867, 868, 869,
&end
#
# 57 ILE QG2 59 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 867, 868, 869,
&end
#
# 57 ILE QG2 59 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 867, 868, 869,
igr2= 898, 899, 900,
&end
#
# 57 ILE QG2 60 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 867, 868, 869,
&end
#
# 58 ASP- HN 58 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP- HA 58 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 884, 885,
&end
#
# 59 ILE HN 58 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 892, 882, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ILE QG2 58 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 898, 899, 900,
&end
#
# 58 ASP- HA 61 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP- HN 58 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 884, 885,
&end
#
# 59 ILE HN 58 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 892, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 SER HN 58 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 911, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ASP- QB 59 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 884, 885,
&end
#
# 58 ASP- QB 60 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 884, 885,
&end
#
# 59 ILE HA 59 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ILE HA 59 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 894, 892, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ILE QD1 59 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 905, 906, 907,
&end
#
# 59 ILE QG1 59 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 903,
&end
#
# 59 ILE HA 59 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 898, 899, 900,
&end
#
# 60 SER HN 59 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 911, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HA 61 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 894, 922, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HA 61 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 931, 932,
&end
#
# 59 ILE HA 62 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 894, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE QD1 59 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 905, 906, 907,
&end
#
# 59 ILE QG2 59 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 898, 899, 900,
&end
#
# 59 ILE QD1 59 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 905, 906, 907,
&end
#
# 59 ILE QG1 59 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 902, 903,
&end
#
# 59 ILE HN 59 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 898, 899, 900,
&end
#
# 60 SER HA 59 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 SER HN 59 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 911, 892, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 ILE HN 61 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE QD1 60 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 905, 906, 907,
&end
#
# 59 ILE QD1 62 GLN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 905, 906, 907,
&end
#
# 59 ILE QG1 62 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 902, 903,
igr2= 948, 949,
&end
#
# 59 ILE QG2 61 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 898, 899, 900,
&end
#
# 6 ILE HA 6 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 93, 95, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 ILE HA 6 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 93, 91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE QD1 6 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 104, 105, 106,
&end
#
# 6 ILE QG1 6 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 101, 102,
&end
#
# 7 TYR HN 6 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 110, 93, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 ILE HA 75 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1133,1134,1135,
&end
#
# 6 ILE HA 76 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 93,1139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 6 ILE HA 77 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 93,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE HA 77 LEU QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1155,1156,
&end
#
# 6 ILE HN 6 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE HB 6 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 104, 105, 106,
&end
#
# 6 ILE QG1 6 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 101, 102,
&end
#
# 6 ILE QG2 6 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 97, 98, 99,
&end
#
# 7 TYR HN 6 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU QB 6 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 6 ILE QD1 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 104, 105, 106,
&end
#
# 6 ILE QG1 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 101, 102,
&end
#
# 6 ILE HN 6 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 97, 98, 99,
&end
#
# 71 ILE QG2 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 75 ALA HA 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1131, 91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ALA QB 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1133,1134,1135,
&end
#
# 6 ILE HN 76 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ASP- QB 6 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1143,1144,
&end
#
# 6 ILE QD1 6 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 104, 105, 106,
igr2= 101, 102,
&end
#
# 6 ILE QD1 6 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 104, 105, 106,
igr2= 97, 98, 99,
&end
#
# 6 ILE QD1 7 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 104, 105, 106,
&end
#
# 6 ILE QD1 77 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 104, 105, 106,
&end
#
# 6 ILE QD1 77 LEU QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 104, 105, 106,
igr2=1155,1156,
&end
#
# 6 ILE QD1 77 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 104, 105, 106,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 6 ILE QD1 79 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 104, 105, 106,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 6 ILE QG1 7 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 101, 102,
&end
#
# 6 ILE QG1 77 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 101, 102,
&end
#
# 77 LEU QQD 6 ILE QG1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1160,1161,1162,1164,1165,1166,
igr2= 101, 102,
&end
#
# 6 ILE QG1 79 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 101, 102,
&end
#
# 60 SER HA 60 SER HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 913, 911, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 SER HA 61 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 922, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 SER HA 62 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 SER QB 60 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 915, 916,
&end
#
# 61 ASN HA 60 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 911, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 SER HN 61 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 911, 922, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 SER HN 62 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 911, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 SER QB 61 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 915, 916,
&end
#
# 60 SER QB 61 ASN QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 915, 916,
igr2= 926, 927,
&end
#
# 60 SER QB 62 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 915, 916,
&end
#
# 61 ASN HN 61 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 922, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ASN HA 61 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 926, 927,
&end
#
# 61 ASN HA 61 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 931, 932,
&end
#
# 62 GLN HN 61 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 924, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ASN HA 63 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 924, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN HN 61 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 926, 927,
&end
#
# 61 ASN QD2 61 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 931, 932,
&end
#
# 62 GLN HA 61 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 938, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN HN 62 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 922, 936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 61 ASN HN 63 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 922, 953, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN QD2 61 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 931, 932,
igr2= 926, 927,
&end
#
# 62 GLN HN 61 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 926, 927,
&end
#
# 63 THR HN 61 ASN QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 926, 927,
&end
#
# 62 GLN HN 62 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 GLN QB 62 GLN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 940, 941,
&end
#
# 62 GLN HA 62 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 943, 944,
&end
#
# 63 THR HN 62 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 953, 938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 THR QG2 62 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 959, 960, 961,
&end
#
# 62 GLN QB 62 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 940, 941,
&end
#
# 62 GLN QG 62 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 943, 944,
&end
#
# 62 GLN HN 63 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLN QB 63 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 940, 941,
&end
#
# 62 GLN QB 63 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 940, 941,
igr2= 959, 960, 961,
&end
#
# 62 GLN QG 62 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 943, 944,
igr2= 948, 949,
&end
#
# 63 THR HA 62 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 948, 949,
&end
#
# 62 GLN QG 63 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 943, 944,
&end
#
# 63 THR HA 63 THR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 955, 953, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 THR QG2 63 THR HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 959, 960, 961,
&end
#
# 64 SER HN 63 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 967, 957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 63 THR QG2 63 THR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 959, 960, 961,
&end
#
# 63 THR QG2 64 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 959, 960, 961,
&end
#
# 64 SER QB 64 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 971, 972,
&end
#
# 65 ASP- HA 64 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 980, 967, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 65 ASP- HN 64 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 978, 967, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 SER QB 65 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 971, 972,
&end
#
# 65 ASP- HN 65 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 978, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 ASP- HA 65 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 982, 983,
&end
#
# 66 ILE HN 65 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 990, 980, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 ILE QG1 65 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1000,1001,
&end
#
# 65 ASP- QB 65 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 982, 983,
&end
#
# 66 ILE HN 65 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 990, 978, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 65 ASP- QB 66 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 982, 983,
&end
#
# 66 ILE HA 66 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 992, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 ILE HN 66 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 990, 992, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ILE HA 66 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 996, 997, 998,
&end
#
# 67 ILE HN 66 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1009, 992, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 ILE QD1 66 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1022,1023,1024,
&end
#
# 66 ILE HB 66 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 994, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ILE HB 66 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1003,1004,1005,
&end
#
# 66 ILE HB 66 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1000,1001,
&end
#
# 66 ILE HB 66 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 996, 997, 998,
&end
#
# 66 ILE HB 67 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 994,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE HN 66 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1009, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 ILE HN 66 ILE QD1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1003,1004,1005,
&end
#
# 66 ILE HN 66 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1000,1001,
&end
#
# 66 ILE HN 66 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 996, 997, 998,
&end
#
# 66 ILE HN 67 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 990,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ILE QD1 66 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1003,1004,1005,
igr2=1000,1001,
&end
#
# 67 ILE HN 66 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1003,1004,1005,
&end
#
# 67 ILE HN 66 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 996, 997, 998,
&end
#
# 67 ILE HA 67 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1011,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE HA 67 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1011,1009, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ILE HA 67 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1022,1023,1024,
&end
#
# 67 ILE QG1 67 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1019,1020,
&end
#
# 67 ILE HA 67 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1015,1016,1017,
&end
#
# 68 ASP- HN 67 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1028,1011, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 ILE HN 67 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1009,1013, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 67 ILE HB 67 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1022,1023,1024,
&end
#
# 67 ILE HB 67 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1015,1016,1017,
&end
#
# 67 ILE HB 68 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1013,1028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE HN 67 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1022,1023,1024,
&end
#
# 67 ILE HN 67 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1019,1020,
&end
#
# 68 ASP- HN 67 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1028,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU QQD 67 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 67 ILE QD1 9 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1022,1023,1024,
&end
#
# 9 LEU QB 67 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 155, 156,
igr2=1022,1023,1024,
&end
#
# 9 LEU QQD 67 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 160, 161, 162, 164, 165, 166,
igr2=1022,1023,1024,
&end
#
# 67 ILE QD1 90 PRO QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1022,1023,1024,
igr2=1335,1336,
&end
#
# 67 ILE QD1 90 PRO QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1022,1023,1024,
igr2=1332,1333,
&end
#
# 67 ILE QD1 91 MET HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1022,1023,1024,
&end
#
# 67 ILE QG1 68 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1019,1020,
&end
#
# 68 ASP- HN 67 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1015,1016,1017,
&end
#
# 67 ILE QG2 69 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1015,1016,1017,
&end
#
# 67 ILE QG2 69 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1015,1016,1017,
&end
#
# 7 TYR QE 67 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 120, 125,
igr2=1015,1016,1017,
&end
#
# 67 ILE QG2 70 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1015,1016,1017,
&end
#
# 67 ILE QG2 71 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1015,1016,1017,
&end
#
# 67 ILE QG2 72 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1015,1016,1017,
&end
#
# 67 ILE QG2 72 LEU QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1015,1016,1017,
igr2=1086,1087,
&end
#
# 9 LEU HG 67 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1015,1016,1017,
&end
#
# 9 LEU QQD 67 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 160, 161, 162, 164, 165, 166,
igr2=1015,1016,1017,
&end
#
# 68 ASP- QB 68 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1032,1033,
&end
#
# 68 ASP- HA 70 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1055,1056,
&end
#
# 68 ASP- HA 71 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ASP- HN 68 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1032,1033,
&end
#
# 69 SER HN 68 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1040,1028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TYR HH 68 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 123,1028, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 TYR QE 68 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 125,
&end
#
# 70 ASP- HN 68 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1051,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ILE HB 68 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1067,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 ASP- HN 71 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1028,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ILE QD1 68 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1076,1077,1078,
&end
#
# 9 LEU QQD 68 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 68 ASP- QB 69 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1032,1033,
&end
#
# 68 ASP- QB 71 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1032,1033,
&end
#
# 68 ASP- QB 71 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1032,1033,
igr2=1076,1077,1078,
&end
#
# 71 ILE QG2 68 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,1071,
igr2=1032,1033,
&end
#
# 72 LEU HN 68 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1032,1033,
&end
#
# 69 SER HA 69 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1042,1040, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HA 70 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1042,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 SER HA 71 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1042,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HA 72 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1042,1082, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LEU QB 69 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1086,1087,
&end
#
# 72 LEU QQD 69 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1091,1092,1093,1095,1096,1097,
&end
#
# 69 SER HA 73 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1042,1101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 SER HA 73 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1110,1111,
&end
#
# 69 SER QB 69 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1044,1045,
&end
#
# 70 ASP- HA 69 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1053,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HN 70 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1040,1051, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 SER HN 71 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1040,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU QB 69 SER HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1086,1087,
&end
#
# 69 SER QB 70 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1044,1045,
&end
#
# 69 SER QB 73 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1044,1045,
igr2=1110,1111,
&end
#
# 7 TYR HN 7 TYR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR QB 7 TYR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 114, 115,
&end
#
# 8 PHE HN 7 TYR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 131, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 TYR HH 71 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 123,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 TYR QB 7 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 114, 115,
&end
#
# 75 ALA HN 7 TYR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1129, 110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 TYR HN 75 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1133,1134,1135,
&end
#
# 77 LEU HG 7 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1158, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HN 7 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1151, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU QB 7 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1155,1156,
&end
#
# 77 LEU QQD 7 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 78 VAL QQG 7 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 79 VAL QQG 7 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 7 TYR QB 75 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 114, 115,
&end
#
# 7 TYR QB 75 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 114, 115,
igr2=1133,1134,1135,
&end
#
# 7 TYR QB 77 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 114, 115,
&end
#
# 78 VAL HA 7 TYR QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 114, 115,
&end
#
# 7 TYR QB 78 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 114, 115,
&end
#
# 7 TYR QB 78 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 114, 115,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 7 TYR QB 79 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 114, 115,
&end
#
# 7 TYR QB 8 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 114, 115,
&end
#
# 7 TYR QE 71 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 120, 125,
&end
#
# 7 TYR QE 71 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 120, 125,
&end
#
# 7 TYR QE 72 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 120, 125,
&end
#
# 7 TYR QE 72 LEU QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 120, 125,
igr2=1086,1087,
&end
#
# 70 ASP- HN 70 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1051,1053, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 70 ASP- HA 70 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1055,1056,
&end
#
# 70 ASP- HA 71 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1053,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 ASP- HA 72 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1053,1082, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ASN QD2 70 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1110,1111,
&end
#
# 74 ASN QD2 70 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1124,1125,
&end
#
# 70 ASP- QB 70 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1055,1056,
&end
#
# 71 ILE HA 70 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP- HN 71 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1051,1063, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 ILE QD1 70 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1076,1077,1078,
&end
#
# 71 ILE QG1 70 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1073,1074,
&end
#
# 71 ILE QG2 70 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1069,1070,1071,
&end
#
# 70 ASP- HN 72 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1051,1082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 LEU QB 70 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1086,1087,
&end
#
# 70 ASP- HN 73 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1051,1101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ASN QD2 70 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1110,1111,
&end
#
# 71 ILE HN 70 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1055,1056,
&end
#
# 71 ILE QG2 70 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1069,1070,1071,
igr2=1055,1056,
&end
#
# 70 ASP- QB 72 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1055,1056,
&end
#
# 71 ILE HA 71 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1067, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ILE HA 71 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ILE HA 71 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1076,1077,1078,
&end
#
# 71 ILE HA 71 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1073,1074,
&end
#
# 71 ILE QG2 71 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1069,1070,1071,
&end
#
# 71 ILE HA 72 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1082, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ILE HA 73 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ILE HA 74 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ASN QB 71 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1119,1120,
&end
#
# 71 ILE HA 74 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1124,1125,
&end
#
# 71 ILE HN 71 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 ILE HB 71 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1076,1077,1078,
&end
#
# 71 ILE HB 71 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1073,1074,
&end
#
# 71 ILE QG2 71 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1069,1070,1071,
&end
#
# 71 ILE HB 72 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1067,1082, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 ILE HN 71 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1076,1077,1078,
&end
#
# 71 ILE QG1 71 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1073,1074,
&end
#
# 71 ILE QG2 71 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 72 LEU HG 71 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1089,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ILE HN 72 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1063,1082, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 ASN HN 71 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ILE HN 75 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1133,1134,1135,
&end
#
# 71 ILE QD1 71 ILE QG1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1076,1077,1078,
igr2=1073,1074,
&end
#
# 71 ILE QD1 71 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1076,1077,1078,
igr2=1069,1070,1071,
&end
#
# 71 ILE QD1 72 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1076,1077,1078,
&end
#
# 71 ILE QG1 72 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1073,1074,
&end
#
# 71 ILE QG2 72 LEU HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 71 ILE QG2 72 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1069,1070,1071,
&end
#
# 71 ILE QG2 73 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 71 ILE QG2 74 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 74 ASN QD2 71 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1124,1125,
igr2=1069,1070,1071,
&end
#
# 71 ILE QG2 75 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 71 ILE QG2 75 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1069,1070,1071,
igr2=1133,1134,1135,
&end
#
# 72 LEU HA 72 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1084,1089, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 LEU HN 72 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1084, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LEU QB 72 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1086,1087,
&end
#
# 72 LEU HA 74 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1084,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 LEU HA 75 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1084,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ALA QB 72 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1133,1134,1135,
&end
#
# 72 LEU HN 72 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 LEU QB 72 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1086,1087,
&end
#
# 73 ASN HN 72 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1089, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 PRO QD 72 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1374,1375,
&end
#
# 93 PRO QG 72 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1377,1378,
&end
#
# 72 LEU HN 72 LEU QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1086,1087,
&end
#
# 72 LEU HN 73 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1101, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LEU HN 74 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 ASN QB 72 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1119,1120,
&end
#
# 72 LEU HN 75 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 LEU QB 73 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1086,1087,
&end
#
# 72 LEU QB 73 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1086,1087,
igr2=1110,1111,
&end
#
# 72 LEU QB 74 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1086,1087,
&end
#
# 72 LEU QB 92 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1086,1087,
&end
#
# 72 LEU QB 92 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1086,1087,
igr2=1365,1366,1367,
&end
#
# 72 LEU QB 93 PRO QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1086,1087,
igr2=1374,1375,
&end
#
# 72 LEU QB 93 PRO QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1086,1087,
igr2=1377,1378,
&end
#
# 73 ASN HN 73 ASN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1101,1103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 ASN QB 73 ASN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1105,1106,
&end
#
# 74 ASN HN 73 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1103, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 ASN HA 75 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1103,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 PRO QB 73 ASN HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1380,1381,
&end
#
# 93 PRO QG 73 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1377,1378,
&end
#
# 96 VAL QQG 73 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1424,1425,1426,1428,1429,1430,
&end
#
# 73 ASN HN 73 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1105,1106,
&end
#
# 73 ASN QD2 73 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1110,1111,
&end
#
# 74 ASN HA 73 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1117,1101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 ASN HN 74 ASN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1101,1115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 ASN HN 75 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASN HN 93 PRO QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1380,1381,
&end
#
# 93 PRO QG 73 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1377,1378,
&end
#
# 73 ASN QD2 73 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1110,1111,
igr2=1105,1106,
&end
#
# 74 ASN HN 73 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1105,1106,
&end
#
# 74 ASN HA 74 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1117,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ASN HA 74 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1119,1120,
&end
#
# 74 ASN HA 74 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1124,1125,
&end
#
# 74 ASN HA 75 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1117,1129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ASN HN 74 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1119,1120,
&end
#
# 74 ASN HN 74 ASN QD2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1124,1125,
&end
#
# 74 ASN HN 75 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1115,1129, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 ASN QD2 74 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1124,1125,
igr2=1119,1120,
&end
#
# 74 ASN QB 75 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1119,1120,
&end
#
# 74 ASN QD2 75 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1124,1125,
&end
#
# 74 ASN QD2 75 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1124,1125,
igr2=1133,1134,1135,
&end
#
# 75 ALA HN 75 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1129,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 ALA HA 75 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1133,1134,1135,
&end
#
# 76 ASP- HN 75 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1139,1131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 LEU HN 75 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 ALA HN 75 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1133,1134,1135,
&end
#
# 75 ALA HN 76 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1129,1139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HN 75 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 VAL QQG 75 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1424,1425,1426,1428,1429,1430,
&end
#
# 76 ASP- HN 75 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1133,1134,1135,
&end
#
# 77 LEU HN 75 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1133,1134,1135,
&end
#
# 78 VAL QQG 75 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1133,1134,1135,
&end
#
# 75 ALA QB 96 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1133,1134,1135,
igr2=1424,1425,1426,1428,1429,1430,
&end
#
# 76 ASP- HN 76 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1139,1141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 ASP- HA 76 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1143,1144,
&end
#
# 77 LEU HN 76 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 VAL QQG 76 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1141, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1424,1425,1426,1428,1429,1430,
&end
#
# 76 ASP- HN 76 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1143,1144,
&end
#
# 76 ASP- HN 77 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1139,1151, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 LEU HN 76 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1143,1144,
&end
#
# 77 LEU HN 77 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HA 77 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1155,1156,
&end
#
# 77 LEU HA 77 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU HA 78 VAL HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1153,1170, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 VAL QQG 77 LEU HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 77 LEU HA 97 LYS+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1438,1439,
&end
#
# 77 LEU HA 98 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1153,1458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 LEU QB 77 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1155,1156,
&end
#
# 77 LEU QQD 77 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU HG 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HG 79 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 77 LEU QB 77 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1155,1156,
&end
#
# 77 LEU QQD 77 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU HN 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HN 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 77 LEU QQD 77 LEU QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1155,1156,
&end
#
# 78 VAL HN 77 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QQD 79 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 97 LYS+ QB 77 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1438,1439,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QQD 97 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1444,1445,
&end
#
# 77 LEU QQD 97 LYS+ QE 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1447,1448,
&end
#
# 97 LYS+ QG 77 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1441,1442,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 98 ARG+ HA 77 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QQD 99 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 99 GLU- HN 77 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QQD 99 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1487,1488,
&end
#
# 78 VAL HA 99 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1172,1480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL HN 78 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1170,1174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 VAL HB 78 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL HB 79 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1174,1186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 VAL HB 92 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1365,1366,1367,
&end
#
# 78 VAL HB 98 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1174,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 VAL HB 98 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1174,1456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL HN 78 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 VAL QQG 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 97 LYS+ QB 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1438,1439,
&end
#
# 97 LYS+ QG 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1441,1442,
&end
#
# 78 VAL HN 98 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1170,1458, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 ARG+ QG 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1463,1464,
&end
#
# 99 GLU- HN 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1480,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLU- QG 78 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1487,1488,
&end
#
# 78 VAL QQG 79 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 79 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 80 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 9 LEU HG 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 96 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 96 VAL QQG 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 97 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 98 ARG+ HA 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 98 ARG+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1463,1464,
&end
#
# 99 GLU- HN 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 VAL HN 79 VAL HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL QQG 79 VAL HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 80 THR HN 79 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1202,1188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 GLU- HN 79 VAL HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1480,1188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL HN 79 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1190, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 VAL HB 79 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL HB 8 PHE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1190, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 PHE QE 79 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 141, 145,
&end
#
# 79 VAL HB 80 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1190,1202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL HB 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1190, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLU- QB 79 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1484,1485,
&end
#
# 79 VAL QQG 79 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 8 PHE HA 79 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 133,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 PHE QB 79 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 135, 136,
&end
#
# 79 VAL HN 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1186, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU QB 79 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 155, 156,
&end
#
# 99 GLU- HN 79 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1480,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLU- QB 79 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1484,1485,
&end
#
# 8 PHE HA 79 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 8 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 8 PHE QE 79 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 141, 145,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 80 THR HN 79 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 81 LEU HG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 81 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 9 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 99 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 99 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1484,1485,
&end
#
# 99 GLU- QG 79 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1487,1488,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 8 PHE HA 8 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 133, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 PHE QB 8 PHE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 135, 136,
&end
#
# 8 PHE QE 8 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 141, 145,
&end
#
# 8 PHE HA 80 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 133,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 PHE HA 81 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 133,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 PHE HA 9 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 133, 151, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 LEU QQD 8 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 8 PHE QB 8 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 135, 136,
&end
#
# 8 PHE QE 8 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 141, 145,
&end
#
# 8 PHE QB 81 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 135, 136,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 8 PHE QB 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 135, 136,
&end
#
# 80 THR HB 80 THR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1206,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 THR HA 80 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1204,1202, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 THR HA 80 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1208,1209,1210,
&end
#
# 81 LEU HN 80 THR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1216,1204, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 LEU QQD 80 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 80 THR HA 82 CYX HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1204,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 THR HA 9 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1204, 151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 LEU QB 80 THR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 155, 156,
&end
#
# 80 THR HB 80 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1208,1209,1210,
&end
#
# 80 THR HB 81 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 THR HN 80 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1208,1209,1210,
&end
#
# 81 LEU HN 80 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1216,1202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLU- QB 80 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1484,1485,
&end
#
# 99 GLU- QG 80 THR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1487,1488,
&end
#
# 80 THR QG2 81 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1208,1209,1210,
&end
#
# 80 THR QG2 82 CYX HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1208,1209,1210,
&end
#
# 9 LEU HG 80 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1208,1209,1210,
&end
#
# 9 LEU HN 80 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1208,1209,1210,
&end
#
# 9 LEU QQD 80 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 160, 161, 162, 164, 165, 166,
igr2=1208,1209,1210,
&end
#
# 80 THR QG2 92 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1208,1209,1210,
&end
#
# 98 ARG+ QB 80 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1460,1461,
igr2=1208,1209,1210,
&end
#
# 80 THR QG2 98 ARG+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1208,1209,1210,
igr2=1466,1467,
&end
#
# 80 THR QG2 98 ARG+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1208,1209,1210,
igr2=1463,1464,
&end
#
# 81 LEU HA 81 LEU HG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1223, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 LEU HA 81 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 LEU QB 81 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1220,1221,
&end
#
# 81 LEU QQD 81 LEU HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 81 LEU HA 82 CYX HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 81 LEU QB 81 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1220,1221,
&end
#
# 81 LEU QQD 81 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 81 LEU QB 81 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1220,1221,
&end
#
# 81 LEU QQD 81 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 81 LEU HN 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1216, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 LEU QB 81 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1220,1221,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 81 LEU QB 82 CYX HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1220,1221,
&end
#
# 81 LEU QB 83 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1220,1221,
&end
#
# 81 LEU QB 9 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1220,1221,
&end
#
# 81 LEU QQD 82 CYX HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 9 LEU HN 81 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 82 CYX HA 82 CYX HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1237,1235, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 CYX HA 82 CYX QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1239,1240,
&end
#
# 83 GLY HN 82 CYX HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1245,1237, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 CYX HA 84 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1237,1252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 CYX HA 89 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1237,1318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 CYX HN 82 CYX QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1239,1240,
&end
#
# 82 CYX HN 83 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1235,1245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 CYX HN 84 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1235,1252, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 89 CYX HA 82 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 CYX QB 82 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1322,1323,
&end
#
# 90 PRO QD 82 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1330,
&end
#
# 82 CYX QB 83 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1239,1240,
&end
#
# 82 CYX QB 84 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1239,1240,
&end
#
# 87 ASP- HN 82 CYX QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1239,1240,
&end
#
# 82 CYX QB 87 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1239,1240,
igr2=1288,1289,
&end
#
# 82 CYX QB 89 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1239,1240,
&end
#
# 82 CYX QB 89 CYX QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1239,1240,
igr2=1322,1323,
&end
#
# 83 GLY QA 83 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1247,1248,
&end
#
# 83 GLY HN 84 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1245,1252, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ASP- QB 83 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1288,1289,
&end
#
# 83 GLY QA 84 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1247,1248,
&end
#
# 84 ASP- QB 84 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1256,1257,
&end
#
# 84 ASP- HN 85 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1252,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ASP- HN 86 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1252,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ALA QB 84 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1278,1279,1280,
&end
#
# 84 ASP- HN 87 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1252,1284, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ASP- HN 87 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1288,1289,
&end
#
# 84 ASP- QB 85 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1256,1257,
&end
#
# 84 ASP- QB 86 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1256,1257,
&end
#
# 84 ASP- QB 86 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1256,1257,
igr2=1278,1279,1280,
&end
#
# 85 ALA HN 85 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1264,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ALA HA 85 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1268,1269,1270,
&end
#
# 85 ALA HA 86 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1266,1274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ASP- HN 85 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1284,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ALA HN 85 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1268,1269,1270,
&end
#
# 86 ALA HA 85 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ALA HN 86 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1264,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 ASP- HN 85 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1284,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ALA HN 85 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1268,1269,1270,
&end
#
# 86 ALA HN 86 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1274,1276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 ALA HA 86 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1278,1279,1280,
&end
#
# 86 ALA HA 87 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1276,1284, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 ALA HN 86 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1278,1279,1280,
&end
#
# 87 ASP- HA 86 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1286,1274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 ALA HN 87 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1274,1284, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 ALA QB 87 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1278,1279,1280,
&end
#
# 86 ALA QB 88 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1278,1279,1280,
&end
#
# 86 ALA QB 88 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1278,1279,1280,
&end
#
# 87 ASP- HN 87 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1284,1286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ASP- HA 87 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1288,1289,
&end
#
# 88 LYS+ HN 87 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1296,1286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 ASP- HA 89 CYX HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1286,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 ASP- HN 87 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1288,1289,
&end
#
# 87 ASP- HN 88 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1284,1296, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LYS+ QD 87 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1306,1307,
&end
#
# 88 LYS+ HN 87 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1288,1289,
&end
#
# 87 ASP- QB 89 CYX HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1288,1289,
&end
#
# 88 LYS+ HN 88 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1296,1298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 LYS+ QB 88 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1300,1301,
&end
#
# 89 CYX HN 88 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1318,1298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LYS+ HN 88 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1300,1301,
&end
#
# 88 LYS+ HN 88 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1306,1307,
&end
#
# 88 LYS+ HN 88 LYS+ QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1309,1310,
&end
#
# 89 CYX HA 88 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320,1296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 LYS+ HN 89 CYX HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1296,1318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LYS+ QB 89 CYX HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1300,1301,
&end
#
# 89 CYX HA 89 CYX HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1320,1318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 CYX HA 89 CYX QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1322,1323,
&end
#
# 89 CYX HA 90 PRO QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1329,1330,
&end
#
# 89 CYX HA 90 PRO QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1332,1333,
&end
#
# 89 CYX HN 89 CYX QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1322,1323,
&end
#
# 9 LEU QB 89 CYX HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 155, 156,
&end
#
# 9 LEU HA 9 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 153, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU HA 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 153, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU QB 9 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 155, 156,
&end
#
# 9 LEU QQD 9 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 9 LEU HG 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 158, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU QB 9 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 155, 156,
&end
#
# 9 LEU QQD 9 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 9 LEU HG 90 PRO QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1335,1336,
&end
#
# 9 LEU HG 90 PRO QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1332,1333,
&end
#
# 9 LEU HG 92 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1365,1366,1367,
&end
#
# 9 LEU QB 9 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 155, 156,
&end
#
# 9 LEU QQD 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 161, 162, 164, 165, 166,
&end
#
# 9 LEU QQD 9 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 160, 161, 162, 164, 165, 166,
igr2= 155, 156,
&end
#
# 9 LEU QB 90 PRO QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 155, 156,
igr2=1335,1336,
&end
#
# 90 PRO QB 90 PRO HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1335,1336,
&end
#
# 90 PRO HA 90 PRO QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1332,1333,
&end
#
# 91 MET HN 90 PRO HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1342,1338, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 MET HN 90 PRO QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1335,1336,
&end
#
# 90 PRO QB 92 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1335,1336,
&end
#
# 92 THR QG2 90 PRO QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1365,1366,1367,
igr2=1335,1336,
&end
#
# 90 PRO QD 91 MET HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1329,1330,
&end
#
# 91 MET HN 91 MET HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1342,1344, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 MET QB 91 MET HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1346,1347,
&end
#
# 91 MET QG 91 MET HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1349,1350,
&end
#
# 92 THR HN 91 MET HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1359,1344, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 MET HA 92 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1365,1366,1367,
&end
#
# 91 MET HN 91 MET QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1346,1347,
&end
#
# 91 MET HN 91 MET QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1349,1350,
&end
#
# 91 MET HN 92 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1342,1359, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 MET QB 91 MET QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1346,1347,
igr2=1349,1350,
&end
#
# 91 MET QB 92 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1346,1347,
&end
#
# 91 MET QG 92 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1349,1350,
&end
#
# 92 THR HB 92 THR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1363,1361, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 THR HA 92 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1361,1359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 THR HA 92 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1365,1366,1367,
&end
#
# 92 THR HA 93 PRO QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1374,1375,
&end
#
# 92 THR HB 92 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1363,1359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 THR HB 92 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1365,1366,1367,
&end
#
# 92 THR HB 93 PRO QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1374,1375,
&end
#
# 96 VAL QQG 92 THR HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1424,1425,1426,1428,1429,1430,
&end
#
# 92 THR HN 92 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1359, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1365,1366,1367,
&end
#
# 93 PRO QD 92 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1374,1375,
&end
#
# 98 ARG+ QD 92 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1466,1467,
&end
#
# 93 PRO QD 92 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1374,1375,
igr2=1365,1366,1367,
&end
#
# 92 THR QG2 98 ARG+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1365,1366,1367,
igr2=1466,1467,
&end
#
# 93 PRO QD 93 PRO QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1374,1375,
igr2=1380,1381,
&end
#
# 93 PRO QB 93 PRO QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1380,1381,
igr2=1377,1378,
&end
#
# 93 PRO QB 94 PRO QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1380,1381,
igr2=1388,1389,
&end
#
# 93 PRO QB 95 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1380,1381,
&end
#
# 96 VAL QQG 93 PRO QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1380,1381,
&end
#
# 93 PRO QD 93 PRO QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1374,1375,
igr2=1377,1378,
&end
#
# 93 PRO QD 96 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1374,1375,
&end
#
# 93 PRO QD 96 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1374,1375,
&end
#
# 93 PRO QD 96 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1374,1375,
igr2=1424,1425,1426,1428,1429,1430,
&end
#
# 93 PRO QG 95 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1377,1378,
&end
#
# 96 VAL HA 93 PRO QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1377,1378,
&end
#
# 93 PRO QG 96 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1377,1378,
&end
#
# 96 VAL QQG 93 PRO QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1377,1378,
&end
#
# 94 PRO HA 94 PRO QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1394,1395,
&end
#
# 94 PRO QD 94 PRO HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1388,1389,
&end
#
# 94 PRO HA 94 PRO QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1391,1392,
&end
#
# 94 PRO HA 95 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1397,1401, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 PRO HA 96 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1397,1418, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO QB 94 PRO QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1394,1395,
igr2=1388,1389,
&end
#
# 94 PRO QB 95 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1394,1395,
&end
#
# 94 PRO QB 96 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1394,1395,
&end
#
# 94 PRO QD 94 PRO QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1388,1389,
igr2=1391,1392,
&end
#
# 94 PRO QD 95 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1388,1389,
&end
#
# 94 PRO QD 96 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1388,1389,
&end
#
# 94 PRO QG 95 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1391,1392,
&end
#
# 95 HIS HA 95 HIS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1403,1401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 HIS HA 95 HIS QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1405,1406,
&end
#
# 96 VAL HN 95 HIS HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1418,1403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 HIS QB 95 HIS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1405,1406,
&end
#
# 95 HIS HN 96 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1401,1418, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 VAL QQG 95 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1424,1425,1426,1428,1429,1430,
&end
#
# 95 HIS QB 96 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1418, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1405,1406,
&end
#
# 96 VAL HA 96 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1420,1422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 VAL HN 96 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1418,1420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 VAL HA 96 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1424,1425,1426,1428,1429,1430,
&end
#
# 97 LYS+ HN 96 VAL HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1434,1420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 96 VAL HA 98 ARG+ QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1460,1461,
&end
#
# 96 VAL HN 96 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1418,1422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 VAL HB 96 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1424,1425,1426,1428,1429,1430,
&end
#
# 97 LYS+ HN 96 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1434,1422, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 VAL HN 96 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1418, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1424,1425,1426,1428,1429,1430,
&end
#
# 96 VAL HN 97 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1418,1434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 VAL QQG 97 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1424,1425,1426,1428,1429,1430,
&end
#
# 96 VAL QQG 98 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1424,1425,1426,1428,1429,1430,
&end
#
# 97 LYS+ HN 97 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1434,1436, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 LYS+ HA 97 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1438,1439,
&end
#
# 97 LYS+ HA 97 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1444,1445,
&end
#
# 97 LYS+ HA 97 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1441,1442,
&end
#
# 98 ARG+ HN 97 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1456,1436, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 LYS+ QB 97 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1438,1439,
&end
#
# 97 LYS+ QE 97 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1447,1448,
&end
#
# 97 LYS+ HN 97 LYS+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1441,1442,
&end
#
# 98 ARG+ HN 97 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1456,1434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 LYS+ QB 97 LYS+ QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1438,1439,
igr2=1447,1448,
&end
#
# 97 LYS+ QB 98 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1438,1439,
&end
#
# 97 LYS+ QD 97 LYS+ QE 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1444,1445,
igr2=1447,1448,
&end
#
# 97 LYS+ QG 97 LYS+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1441,1442,
igr2=1444,1445,
&end
#
# 97 LYS+ QD 98 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1444,1445,
&end
#
# 97 LYS+ QG 97 LYS+ QE 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1441,1442,
igr2=1447,1448,
&end
#
# 98 ARG+ HN 97 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1441,1442,
&end
#
# 98 ARG+ HA 98 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1458,1456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ARG+ QB 98 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1460,1461,
&end
#
# 98 ARG+ HA 98 ARG+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1466,1467,
&end
#
# 98 ARG+ QG 98 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1463,1464,
&end
#
# 99 GLU- HN 98 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1480,1458, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 ARG+ HN 98 ARG+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1460,1461,
&end
#
# 98 ARG+ QD 98 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1466,1467,
&end
#
# 98 ARG+ QG 98 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1463,1464,
&end
#
# 99 GLU- HN 98 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1480,1456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLU- QG 98 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1456, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1487,1488,
&end
#
# 98 ARG+ QB 98 ARG+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1460,1461,
igr2=1466,1467,
&end
#
# 98 ARG+ QB 99 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1460,1461,
&end
#
# 98 ARG+ QG 98 ARG+ QD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1463,1464,
igr2=1466,1467,
&end
#
# 99 GLU- HN 98 ARG+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1466,1467,
&end
#
# 99 GLU- HN 98 ARG+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1463,1464,
&end
#
# 99 GLU- HA 99 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 GLU- QB 99 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1484,1485,
&end
#
# 99 GLU- QB 99 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1484,1485,
&end
#
# 99 GLU- QG 99 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1480, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1487,1488,
&end
#
# 99 GLU- QB 99 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1484,1485,
igr2=1487,1488,
&end
#
# 5 ILE HN 0 AMBIG 0 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 45, 46,1129,
&end
#
# 6 ILE HN 0 AMBIG 1 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 110, 532,
&end
#
# 6 ILE HN 0 AMBIG 2 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1151, 486,
&end
#
# 8 PHE HN 0 AMBIG 3 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 110,1186,
&end
#
# 10 CYS HN 0 AMBIG 4 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 590, 195,
&end
#
# 13 ASN HN 0 AMBIG 5 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 616, 658,
&end
#
# 21 GLU- HN 0 AMBIG 6 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 363, 131,
&end
#
# 25 LYS+ HN 0 AMBIG 7 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 433, 948, 949,
&end
#
# 45 ASN HN 0 AMBIG 8 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 726, 693, 694,
&end
#
# 48 ALA HN 0 AMBIG 9 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 752, 684,
&end
#
# 48 ALA HN 0 AMBIG 10 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 774, 693, 694,
&end
#
# 52 MET HN 0 AMBIG 11 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 823, 736,
&end
#
# 77 LEU HN 0 AMBIG 12 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1170,1434,
&end
#
# 78 VAL HN 0 AMBIG 13 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1186,1456, 110,
&end
#
# 79 VAL HN 0 AMBIG 14 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1202,1170,
&end
#
# 82 CYX HN 0 AMBIG 15 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1202,1252,
&end
#
# 84 ASP- HN 0 AMBIG 16 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1274,1563,
&end
#
# 117 TRP HN 0 AMBIG 17 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1713,1784,
&end
#
# 127 ILE HN 0 AMBIG 18 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1958,1996,
&end
#
# 129 ASN HN 0 AMBIG 19 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1932,2015,
&end
#
# 130 ARG+ HN 0 AMBIG 20 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2015,1932,
&end
#
# 133 GLU- HN 0 AMBIG 21 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2052,1996,
&end
#
# 5 ILE HN 0 AMBIG 22 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1141, 534,
&end
#
# 6 ILE HN 0 AMBIG 23 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 514, 515, 76,
&end
#
# 7 TYR HN 0 AMBIG 24 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 93, 112,
&end
#
# 7 TYR HN 0 AMBIG 25 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 534,1153,
&end
#
# 7 TYR HN 0 AMBIG 26 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1174, 76,
&end
#
# 8 PHE HN 0 AMBIG 27 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 573, 574, 266, 267,
&end
#
# 8 PHE HN 0 AMBIG 28 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 538, 539, 540, 542, 543, 544,1190,
&end
#
# 10 CYS HN 0 AMBIG 29 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1204, 197, 198,
&end
#
# 11 THR HN 0 AMBIG 30 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 197, 198,1204,
&end
#
# 12 GLY HN 0 AMBIG 31 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 601,1220,1221,
&end
#
# 12 GLY HN 0 AMBIG 32 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr2= 620, 621, 242, 243,1332,1333,1332,1333,1300,1301,
&end
#
# 13 ASN HN 0 AMBIG 33 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 592, 593, 218,
&end
#
# 13 ASN HN 0 AMBIG 34 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 185, 573, 574, 275,
&end
#
# 13 ASN HN 0 AMBIG 35 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 582, 172,
&end
#
# 13 ASN HN 0 AMBIG 36 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 620, 621, 280, 281,1332,1333,
&end
#
# 16 ARG+ HN 0 AMBIG 37 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 231, 232, 248, 249,
&end
#
# 17 SER HN 0 AMBIG 38 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 573, 574, 275,
&end
#
# 17 SER HN 0 AMBIG 39 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 231, 232, 248, 249,
&end
#
# 17 SER HN 0 AMBIG 40 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 294, 295, 321, 322,
&end
#
# 17 SER HN 0 AMBIG 41 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 311, 312, 313, 301, 302, 303,1938,1939,1940,
&end
#
# 18 GLN HN 0 AMBIG 42 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 266, 267, 573, 574,
&end
#
# 18 GLN HN 0 AMBIG 43 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 311, 312, 313, 905, 906, 907, 301, 302, 303,
&end
#
# 19 MET HN 0 AMBIG 44 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 301, 302, 303, 905, 906, 907,
&end
#
# 20 ALA HN 0 AMBIG 45 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 275, 573, 574,
&end
#
# 20 ALA HN 0 AMBIG 46 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 242, 243, 280, 281, 245, 246,
&end
#
# 21 GLU- HN 0 AMBIG 47 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 573, 574, 292, 266, 267,
&end
#
# 21 GLU- HN 0 AMBIG 48 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 275, 573, 574,
&end
#
# 21 GLU- HN 0 AMBIG 49 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 367, 368, 369, 280, 281, 383, 384,
&end
#
# 22 GLY HN 0 AMBIG 50 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 275, 573, 574,
&end
#
# 22 GLY HN 0 AMBIG 51 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 905, 906, 907, 311, 312, 313,
&end
#
# 22 GLY HN 0 AMBIG 52 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 321, 322, 324, 325,
&end
#
# 22 GLY HN 0 AMBIG 53 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 341, 894,
&end
#
# 22 GLY HN 0 AMBIG 54 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 367, 368, 369, 383, 384,
&end
#
# 23 TRP HN 0 AMBIG 55 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 905, 906, 907, 301, 302, 303,
&end
#
# 23 TRP HN 0 AMBIG 56 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 402, 403, 294, 295, 321, 322, 399, 400, 324, 325,
&end
#
# 23 TRP HN 0 AMBIG 57 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 365,1883,
&end
#
# 24 ALA HN 0 AMBIG 58 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 319, 334, 335,
&end
#
# 24 ALA HN 0 AMBIG 59 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 375, 275, 573, 574,
&end
#
# 25 LYS+ HN 0 AMBIG 60 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 334, 335, 319,
&end
#
# 25 LYS+ HN 0 AMBIG 61 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 454, 455, 397,
&end
#
# 26 GLN HN 0 AMBIG 62 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 334, 335, 319,
&end
#
# 26 GLN HN 0 AMBIG 63 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 383, 384, 367, 368, 369,
&end
#
# 28 LEU HN 0 AMBIG 64 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 454, 455, 397,
&end
#
# 32 TRP HN 0 AMBIG 65 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 475, 476, 437, 438,
&end
#
# 33 LYS+ HN 0 AMBIG 66 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 490, 491, 523, 524,
&end
#
# 36 SER HN 0 AMBIG 67 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 982, 983, 135, 136,
&end
#
# 36 SER HN 0 AMBIG 68 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 982, 983, 135, 136,
&end
#
# 37 ALA HN 0 AMBIG 69 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 573, 574, 266, 267,
&end
#
# 37 ALA HN 0 AMBIG 70 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 592, 593, 552, 553,
&end
#
# 37 ALA HN 0 AMBIG 71 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 133, 992,
&end
#
# 37 ALA HN 0 AMBIG 72 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 135, 136, 982, 983,
&end
#
# 37 ALA HN 0 AMBIG 73 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 135, 136, 982, 983,
&end
#
# 37 ALA HN 0 AMBIG 74 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 155, 156, 635, 636, 637,
&end
#
# 39 ILE HN 0 AMBIG 75 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1338, 618,
&end
#
# 39 ILE HN 0 AMBIG 76 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 172, 582,
&end
#
# 47 ASN HN 0 AMBIG 77 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 708, 728,
&end
#
# 48 ALA HN 0 AMBIG 78 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 705, 706,1808,1809,
&end
#
# 48 ALA HN 0 AMBIG 79 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 231, 232, 738,1808,1809,
&end
#
# 48 ALA HN 0 AMBIG 80 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 778, 779, 780, 672, 759, 760,
&end
#
# 49 VAL HN 0 AMBIG 81 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 277, 278, 805, 806,
&end
#
# 50 LYS+ HN 0 AMBIG 82 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 708, 728, 776,
&end
#
# 50 LYS+ HN 0 AMBIG 83 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 738, 765, 766,
&end
#
# 51 ALA HN 0 AMBIG 84 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 765, 766,1808,1809, 738,
&end
#
# 51 ALA HN 0 AMBIG 85 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 791, 792, 827, 828,
&end
#
# 52 MET HN 0 AMBIG 86 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 776, 728,
&end
#
# 52 MET HN 0 AMBIG 87 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 803, 292,
&end
#
# 53 LYS+ HN 0 AMBIG 88 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 738, 765, 766,
&end
#
# 53 LYS+ HN 0 AMBIG 89 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 776, 728,
&end
#
# 53 LYS+ HN 0 AMBIG 90 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1891,1892, 842,
&end
#
# 52 MET HN 0 AMBIG 91 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 742, 743, 744, 746, 747, 748, 865, 762, 763,
&end
#
# 55 VAL HN 0 AMBIG 92 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 778, 779, 780, 808, 809, 759, 760,
&end
#
# 55 VAL HN 0 AMBIG 93 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 805, 806,1828,1829,
&end
#
# 55 VAL HN 0 AMBIG 94 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 805, 806, 756, 757,
&end
#
# 56 GLY HN 0 AMBIG 95 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 827, 828, 791, 792,
&end
#
# 56 GLY HN 0 AMBIG 96 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 842,1891,1892,
&end
#
# 56 GLY HN 0 AMBIG 97 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 863, 754,
&end
#
# 58 ASP- HN 0 AMBIG 98 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 894, 786,
&end
#
# 57 ILE HN 0 AMBIG 99 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 842,1891,1892,
&end
#
# 59 ILE HN 0 AMBIG 100 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 814, 815, 884, 885,
&end
#
# 11 THR HN 0 AMBIG 101 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 242, 243,1579,1580,
&end
#
# 61 ASN HN 0 AMBIG 102 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 943, 944, 896,
&end
#
# 65 ASP- HN 0 AMBIG 103 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 584, 585, 586,1000,1001,
&end
#
# 67 ILE HN 0 AMBIG 104 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 584, 585, 586,1000,1001,
&end
#
# 70 ASP- HN 0 AMBIG 105 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1105,1106,1119,1120,
&end
#
# 71 ILE HN 0 AMBIG 106 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1084,1044,1045,
&end
#
# 71 ILE HN 0 AMBIG 107 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1105,1106,1119,1120,
&end
#
# 72 LEU HN 0 AMBIG 108 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1032,1033,1055,1056,
&end
#
# 73 ASN HN 0 AMBIG 109 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1084,1044,1045,
&end
#
# 73 ASN HN 0 AMBIG 110 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1067,1133,1134,1135,
&end
#
# 74 ASN HN 0 AMBIG 111 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1131,1042,
&end
#
# 75 ALA HN 0 AMBIG 112 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1065, 114, 115,
&end
#
# 75 ALA HN 0 AMBIG 113 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1141,1153,
&end
#
# 77 LEU HN 0 AMBIG 114 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1153,1141,
&end
#
# 5 ILE HA 0 AMBIG 115 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1151, 486,
&end
#
# 77 LEU HN 0 AMBIG 116 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 95,1444,1445,
&end
#
# 78 VAL HN 0 AMBIG 117 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1441,1442,1460,1461,1155,1156,
&end
#
# 78 VAL HN 0 AMBIG 118 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 93, 112,
&end
#
# 78 VAL HN 0 AMBIG 119 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1444,1445,1377,1378, 95,
&end
#
# 79 VAL HN 0 AMBIG 120 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1458, 153,
&end
#
# 79 VAL HN 0 AMBIG 121 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1460,1461,1155,1156,1441,1442,
&end
#
# 80 THR HN 0 AMBIG 122 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1458, 153,
&end
#
# 80 THR HN 0 AMBIG 123 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1463,1464, 155, 156,1223,
&end
#
# 80 THR HN 0 AMBIG 124 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1466,1467,1499,1500,
&end
#
# 80 THR HN 0 AMBIG 125 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1516,1517,1239,1240,
&end
#
# 82 CYX HN 0 AMBIG 126 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1223, 155, 156,
&end
#
# 84 ASP- HN 0 AMBIG 127 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1247,1248,1565,
&end
#
# 84 ASP- HN 0 AMBIG 128 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1266, 185,
&end
#
# 87 ASP- HN 0 AMBIG 129 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1266, 185,
&end
#
# 99 GLU- HN 0 AMBIG 130 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1460,1461,1441,1442,
&end
#
# 101 TRP HN 0 AMBIG 131 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1499,1500,1466,1467,
&end
#
# 104 ASP- HN 0 AMBIG 132 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1547,1548,1567,1568,
&end
#
# 109 ALA HN 0 AMBIG 133 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1577,1647,
&end
#
# 109 ALA HN 0 AMBIG 134 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1615,1616,1738,1739,
&end
#
# 114 GLU- HN 0 AMBIG 135 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1702,1703,1687,1688,
&end
#
# 115 GLU- HN 0 AMBIG 136 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1717,1718,1702,1703,
&end
#
# 115 GLU- HN 0 AMBIG 137 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1735,1736,1778,1779,1780,1738,1739,
&end
#
# 116 LYS+ HN 0 AMBIG 138 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1700,1603,
&end
#
# 117 TRP HN 0 AMBIG 139 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1735,1736,1738,1739,
&end
#
# 118 ALA HN 0 AMBIG 140 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1700,1786,
&end
#
# 120 PHE HN 0 AMBIG 141 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1804, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=1591,1592,1778,1779,1780,1735,1736,
&end
#
# 123 VAL HN 0 AMBIG 142 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1851,1852,1788,1789,
&end
#
# 124 ARG+ HN 0 AMBIG 143 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1808,1809, 231, 232,
&end
#
# 124 ARG+ HN 0 AMBIG 144 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1808,1809, 294, 295,1921,1922,
&end
#
# 124 ARG+ HN 0 AMBIG 145 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1907, 786,
&end
#
# 126 GLU- HN 0 AMBIG 146 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1845,1846,1885,1886,1953,1954,
&end
#
# 127 ILE HN 0 AMBIG 147 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1953,1954,1979,1980,
&end
#
# 127 ILE HN 0 AMBIG 148 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1953,1954,1845,1846,
&end
#
# 127 ILE HN 0 AMBIG 149 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1924,1925,1909,1910,1962,1963,
&end
#
# 128 GLY HN 0 AMBIG 150 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1891,1892,1924,1925,
&end
#
# 129 ASN HN 0 AMBIG 151 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2019,2020,1936,
&end
#
# 130 ARG+ HN 0 AMBIG 152 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2044,2045,1921,1922,
&end
#
# 131 LEU HN 0 AMBIG 153 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2056,2057, 343, 344,
&end
#
# 132 LYS+ HN 0 AMBIG 154 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1960,1998,1974,
&end
#
# 132 LYS+ HN 0 AMBIG 155 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2000,2001,1953,1954,
&end
#
# 132 LYS+ HN 0 AMBIG 156 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2056,2057, 343, 344,
&end
#
# 133 GLU- HN 0 AMBIG 157 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1974,1960,1998,
&end
#
# 133 GLU- HN 0 AMBIG 158 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2017,2131,2132,
&end
#
# 133 GLU- HN 0 AMBIG 159 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2000,2001,2076,2077,2078,
&end
#
# 134 PHE HN 0 AMBIG 160 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1998,1974,
&end
#
# 134 PHE HN 0 AMBIG 161 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2122,2123,1976,1977,
&end
#
# 134 PHE HN 0 AMBIG 162 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2131,2132,2017,
&end
#
# 134 PHE HN 0 AMBIG 163 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2041,2042,2086,2087,
&end
#
# 134 PHE HN 0 AMBIG 164 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2041,2042,1979,1980,
&end
#
# 135 ALA HN 0 AMBIG 165 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 437, 438,2041,2042,
&end
#
# 135 ALA HN 0 AMBIG 166 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2000,2001,2041,2042,1979,1980,
&end
#
# 136 GLU- HN 0 AMBIG 167 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2056,2057, 416, 417,
&end
#
# 137 THR HN 0 AMBIG 168 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2086,2087,2041,2042,
&end
#
# 138 GLY HN 0 AMBIG 169 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2086,2087,2041,2042,
&end
#
# 104 ASP- HN 0 AMBIG 170 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1563, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 120 PHE HN 0 AMBIG 171 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1804, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 778, 779, 780,1735,1736,
&end
#
# 101 TRP HN 0 AMBIG 172 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1208,1209,1210,1942,1943,
&end
#
# 27 TYR HN 0 AMBIG 173 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2000,2001,2076,2077,2078,
&end
#
# 28 LEU HN 0 AMBIG 174 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2076,2077,2078,2000,2001,
&end
#
# 26 GLN HN 0 AMBIG 175 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 871, 872, 442, 443, 444, 446, 447, 448,
&end
#
# 23 TRP HN 0 AMBIG 176 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 898, 899, 900, 844, 845, 846, 848, 849, 850,
&end
#
# 98 ARG+ HN 0 AMBIG 177 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1160,1161,1162,1164,1165,1166,1424,1425,1426,1428,
1429,1430,1176,1177,1178,1180,1181,1182,
&end
#
# 99 GLU- HN 0 AMBIG 178 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1160,1161,1162,1164,1165,1166,1176,1177,1178,1180,
1181,1182,
&end
#
# 103 PHE HN 0 AMBIG 179 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1543, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,1942,1943,
&end
#
# 105 ASP- HN 0 AMBIG 180 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 8 PHE HN 0 AMBIG 181 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1176,1177,1178,1180,1181,1182,1225,1226,1227,1229,
1230,1231,
&end
#
# 9 LEU HN 0 AMBIG 182 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1225,1226,1227,1229,1230,1231,1176,1177,1178,1180,
1181,1182,
&end
#
# 4 LYS+ QB 0 AMBIG 183 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 54, 55,
igr2= 486,1151,
&end
#
# 97 LYS+ HN 0 AMBIG 184 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1153,1141,
&end
#
# 7 TYR HN 0 AMBIG 185 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,1091,
1092,1093,1095,1096,1097,
&end
#
# 8 PHE HN 0 AMBIG 186 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 160, 161, 162, 164, 165, 166, 101, 102,
&end
#
# 16 ARG+ HN 0 AMBIG 187 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 16 ARG+ HN 0 AMBIG 188 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 20 ALA HN 0 AMBIG 189 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 277, 278,1936, 245, 246,
&end
#
# 20 ALA HN 0 AMBIG 190 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 297, 298, 343, 344,
&end
#
# 21 GLU- HN 0 AMBIG 191 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 343, 344, 386, 387, 297, 298,
&end
#
# 35 TYR HN 0 AMBIG 192 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1133,1134,1135,1067,
&end
#
# 35 TYR HN 0 AMBIG 193 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 324, 325, 321, 322,
&end
#
# 36 SER HN 0 AMBIG 194 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 324, 325, 321, 322,
&end
#
# 37 ALA HN 0 AMBIG 195 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 280, 281, 321, 322, 324, 325,
&end
#
# 37 ALA HN 0 AMBIG 196 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1022,1023,1024,1015,1016,1017,
&end
#
# 38 GLY HN 0 AMBIG 197 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 996, 997, 998, 635, 636, 637,
&end
#
# 41 ALA HN 0 AMBIG 198 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1000,1001, 584, 585, 586,
&end
#
# 45 ASN HN 0 AMBIG 199 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 47 ASN HN 0 AMBIG 200 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 48 ALA HN 0 AMBIG 201 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 48 ALA HN 0 AMBIG 202 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 905, 906, 907, 301, 302, 303,
&end
#
# 50 LYS+ HN 0 AMBIG 203 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 50 LYS+ HN 0 AMBIG 204 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 905, 906, 907, 301, 302, 303,
&end
#
# 52 MET HN 0 AMBIG 205 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 905, 906, 907, 301, 302, 303,
&end
#
# 53 LYS+ HN 0 AMBIG 206 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
&end
#
# 55 VAL HN 0 AMBIG 207 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1891,1892, 830, 831,
&end
#
# 59 ILE HN 0 AMBIG 208 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 59 ILE HN 0 AMBIG 209 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 896, 791, 792, 943, 944,
&end
#
# 60 SER HN 0 AMBIG 210 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 62 GLN HN 0 AMBIG 211 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 959, 960, 961, 669, 670,
&end
#
# 70 ASP- HN 0 AMBIG 212 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 72 LEU HN 0 AMBIG 213 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1073,1074,1424,1425,1426,1428,1429,1430,
&end
#
# 73 ASN HN 0 AMBIG 214 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 73 ASN HN 0 AMBIG 215 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1424,1425,1426,1428,1429,1430,1073,1074,
&end
#
# 74 ASN HN 0 AMBIG 216 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2=1424,1425,1426,1428,1429,1430,1073,1074,
&end
#
# 79 VAL HN 0 AMBIG 217 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1158,1208,1209,1210,
&end
#
# 81 LEU HN 0 AMBIG 218 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1223, 155, 156,
&end
#
# 91 MET HN 0 AMBIG 219 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 610, 611, 612,1365,1366,1367,
&end
#
# 109 ALA HN 0 AMBIG 220 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1788,1789,1621,1622,
&end
#
# 109 ALA HN 0 AMBIG 221 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1652,1653,1720,1721,
&end
#
# 111 GLY HN 0 AMBIG 222 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1652,1653,1720,1721,
&end
#
# 111 GLY HN 0 AMBIG 223 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1735,1736,1675,1676,1677,
&end
#
# 113 GLU- HN 0 AMBIG 224 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1675,1676,1677,1735,1736,
&end
#
# 114 GLU- HN 0 AMBIG 225 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1675,1676,1677,1735,1736,
&end
#
# 115 GLU- HN 0 AMBIG 226 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1675,1676,1677,1735,1736,
&end
#
# 118 ALA HN 0 AMBIG 227 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1705,1706,1720,1721,
&end
#
# 122 ARG+ HN 0 AMBIG 228 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 123 VAL HN 0 AMBIG 229 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 124 ARG+ HN 0 AMBIG 230 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 124 ARG+ HN 0 AMBIG 231 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1891,1892,1924,1925,
&end
#
# 125 ASP- HN 0 AMBIG 232 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877, 844, 845, 846, 848, 849, 850,1942,1943,
&end
#
# 125 ASP- HN 0 AMBIG 233 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 301, 302, 303,1945,1946,1947,1938,1939,1940,
&end
#
# 126 GLU- HN 0 AMBIG 234 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=1942,1943,1871,1872,1873,1875,1876,1877,1871,1872,
1873,1875,1876,1877,
&end
#
# 126 GLU- HN 0 AMBIG 235 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1945,1946,1947,1938,1939,1940,
&end
#
# 128 GLY HN 0 AMBIG 236 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2=1942,1943,1871,1872,1873,1875,1876,1877,1871,1872,
1873,1875,1876,1877,
&end
#
# 128 GLY HN 0 AMBIG 237 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1938,1939,1940,1945,1946,1947,
&end
#
# 129 ASN HN 0 AMBIG 238 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1938,1939,1940,2005,2006,2007,2009,2010,2011,1945,
1946,1947,
&end
#
# 130 ARG+ HN 0 AMBIG 239 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=2005,2006,2007,2009,2010,2011,1945,1946,1947,1938,
1939,1940,
&end
#
# 135 ALA HN 0 AMBIG 240 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2072, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2089,2090,2044,2045,
&end
#
# 138 GLY HN 0 AMBIG 241 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2111, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2089,2090,2044,2045,
&end
#
# 4 LYS+ HN 0 AMBIG 242 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 54, 55, 60, 61,
&end
#
# 16 ARG+ HN 0 AMBIG 243 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 245, 246, 242, 243,
&end
#
# 18 GLN HN 0 AMBIG 244 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 275, 573, 574,
&end
#
# 20 ALA HN 0 AMBIG 245 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 309, 240,
&end
#
# 26 GLN HN 0 AMBIG 246 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 399, 400, 402, 403,
&end
#
# 26 GLN HN 0 AMBIG 247 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 399, 400, 377, 378,
&end
#
# 41 ALA HN 0 AMBIG 248 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 635, 636, 637, 996, 997, 998,
&end
#
# 47 ASN HN 0 AMBIG 249 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 716, 717, 705, 706,
&end
#
# 48 ALA HN 0 AMBIG 250 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 728, 708,
&end
#
# 49 VAL HN 0 AMBIG 251 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 51 ALA HN 0 AMBIG 252 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 776, 728,
&end
#
# 54 GLU- HN 0 AMBIG 253 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 830, 831,1891,1892,
&end
#
# 66 ILE HN 0 AMBIG 254 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 996, 997, 998, 635, 636, 637,
&end
#
# 72 LEU HN 0 AMBIG 255 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1089,1091,1092,1093,1095,1096,1097,
&end
#
# 74 ASN HN 0 AMBIG 256 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1119,1120,1105,1106,
&end
#
# 78 VAL HN 0 AMBIG 257 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1160,1161,1162,1164,1165,1166,1176,1177,1178,1180,
1181,1182,
&end
#
# 80 THR HN 0 AMBIG 258 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1206,1482,
&end
#
# 80 THR HN 0 AMBIG 259 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1225,1226,1227,1229,1230,1231,1176,1177,1178,1180,
1181,1182,
&end
#
# 88 LYS+ HN 0 AMBIG 260 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 187, 188, 189,1303,1304,
&end
#
# 97 LYS+ HN 0 AMBIG 261 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1420,1436,
&end
#
# 97 LYS+ HN 0 AMBIG 262 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1444,1445,1377,1378,
&end
#
# 98 ARG+ HN 0 AMBIG 263 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1441,1442,1460,1461,
&end
#
# 114 GLU- HN 0 AMBIG 264 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1702,1703,1687,1688,
&end
#
# 114 GLU- HN 0 AMBIG 265 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1705,1706,1690,1691,
&end
#
# 115 GLU- HN 0 AMBIG 266 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1720,1721,1705,1706,
&end
#
# 123 VAL HN 0 AMBIG 267 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 126 GLU- HN 0 AMBIG 268 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1919,1843,
&end
#
# 127 ILE HN 0 AMBIG 269 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1945,1946,1947,1938,1939,1940, 301, 302, 303,
&end
#
# 130 ARG+ HN 0 AMBIG 270 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1974,1960,
&end
#
# 131 LEU HN 0 AMBIG 271 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1998,1974,
&end
#
# 139 LYS+ HN 0 AMBIG 272 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2122,2123,2128,2129,
&end
#
# 5 ILE HN 0 AMBIG 273 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 503,1124,1125,
&end
#
# 6 ILE HN 0 AMBIG 274 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 45, 46,1129,
&end
#
# 7 TYR HN 0 AMBIG 275 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 131, 91,
&end
#
# 7 TYR HN 0 AMBIG 276 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1139,1480,
&end
#
# 7 TYR HN 0 AMBIG 277 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 141, 145, 501,
&end
#
# 8 PHE HN 0 AMBIG 278 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 120, 125, 143,
&end
#
# 8 PHE HN 0 AMBIG 279 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 324, 325, 321, 322,
&end
#
# 8 PHE HN 0 AMBIG 280 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1133,1134,1135,1067,
&end
#
# 8 PHE HN 0 AMBIG 281 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2= 538, 539, 540, 542, 543, 544,1176,1177,1178,1180,
1181,1182, 97, 98, 99,
&end
#
# 11 THR HN 0 AMBIG 282 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1322,1323, 592, 593,
&end
#
# 12 GLY HN 0 AMBIG 283 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 603, 604, 605, 635, 636, 637,
&end
#
# 13 ASN HN 0 AMBIG 284 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 195, 590,
&end
#
# 14 SER HN 0 AMBIG 285 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 280, 281, 242, 243,
&end
#
# 15 CYS HN 0 AMBIG 286 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 280, 281, 730, 731, 732,
&end
#
# 15 CYS HN 0 AMBIG 287 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 277, 278, 245, 246,
&end
#
# 16 ARG+ HN 0 AMBIG 288 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1601, 211, 212, 684,
&end
#
# 16 ARG+ HN 0 AMBIG 289 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1588,1589, 220, 221,
&end
#
# 17 SER HN 0 AMBIG 290 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1223,1591,1592, 155, 156,
&end
#
# 18 GLN HN 0 AMBIG 291 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 674, 675, 676, 678, 679, 680,1225,1226,1227,1229,
1230,1231,
&end
#
# 19 MET HN 0 AMBIG 292 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 674, 675, 676, 678, 679, 680,1225,1226,1227,1229,
1230,1231,
&end
#
# 20 ALA HN 0 AMBIG 293 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 135, 136, 791, 792,
&end
#
# 20 ALA HN 0 AMBIG 294 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 277, 278,2000,2001,
&end
#
# 21 GLU- HN 0 AMBIG 295 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 143, 347,
&end
#
# 22 GLY HN 0 AMBIG 296 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 347, 143,
&end
#
# 22 GLY HN 0 AMBIG 297 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 386, 387, 297, 298,
&end
#
# 22 GLY HN 0 AMBIG 298 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 791, 792, 896, 943, 944,
&end
#
# 24 ALA HN 0 AMBIG 299 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 143, 347,
&end
#
# 24 ALA HN 0 AMBIG 300 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 402, 403, 324, 325, 399, 400, 437, 438,
&end
#
# 24 ALA HN 0 AMBIG 301 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2000,2001,1953,1954, 536,
&end
#
# 28 LEU HN 0 AMBIG 302 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 395, 494,
&end
#
# 28 LEU HN 0 AMBIG 303 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2000,2001, 536,
&end
#
# 28 LEU HN 0 AMBIG 304 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 29 GLY HN 0 AMBIG 305 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 395, 494,
&end
#
# 77 LEU HN 0 AMBIG 306 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1424,1425,1426,1428,1429,1430,1176,1177,1178,1180,
1181,1182,1160,1161,1162,1164,1165,1166,
&end
#
# 33 LYS+ HN 0 AMBIG 307 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 34 VAL HN 0 AMBIG 308 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 324, 325, 437, 438, 321, 322,
&end
#
# 35 TYR HN 0 AMBIG 309 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 131, 91,
&end
#
# 35 TYR HN 0 AMBIG 310 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 532, 110,
&end
#
# 35 TYR HN 0 AMBIG 311 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 120, 125, 143,
&end
#
# 35 TYR HN 0 AMBIG 312 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 367, 368, 369, 383, 384, 76,
&end
#
# 35 TYR HN 0 AMBIG 313 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 78, 79, 80,1176,1177,1178,1180,1181,1182,
&end
#
# 36 SER HN 0 AMBIG 314 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 548, 953,
&end
#
# 36 SER HN 0 AMBIG 315 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 948, 949, 558, 563,
&end
#
# 37 ALA HN 0 AMBIG 316 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 131, 151,
&end
#
# 37 ALA HN 0 AMBIG 317 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1019,1020, 155, 156,
&end
#
# 37 ALA HN 0 AMBIG 318 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1225,1226,1227,1229,1230,1231,1176,1177,1178,1180,
1181,1182,
&end
#
# 39 ILE HN 0 AMBIG 319 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 590, 195,
&end
#
# 121 GLN HN 0 AMBIG 320 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1824, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1765,1814,1818,
&end
#
# 41 ALA HN 0 AMBIG 321 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 616, 658,
&end
#
# 45 ASN HN 0 AMBIG 322 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 693, 694, 967,
&end
#
# 45 ASN HN 0 AMBIG 323 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 231, 232, 738,
&end
#
# 45 ASN HN 0 AMBIG 324 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 905, 906, 907, 301, 302, 303,
&end
#
# 47 ASN HN 0 AMBIG 325 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 752, 684,
&end
#
# 47 ASN HN 0 AMBIG 326 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 672, 778, 779, 780,
&end
#
# 49 VAL HN 0 AMBIG 327 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 699, 700, 913, 292,
&end
#
# 50 LYS+ HN 0 AMBIG 328 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 705, 706,1808,1809,
&end
#
# 51 ALA HN 0 AMBIG 329 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 736, 823,
&end
#
# 51 ALA HN 0 AMBIG 330 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1769,1763,
&end
#
# 51 ALA HN 0 AMBIG 331 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 52 MET HN 0 AMBIG 332 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1891,1892, 842,
&end
#
# 52 MET HN 0 AMBIG 333 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
&end
#
# 53 LYS+ HN 0 AMBIG 334 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 52 MET HN 0 AMBIG 335 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 823, 736,
&end
#
# 54 GLU- HN 0 AMBIG 336 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 854, 861,
&end
#
# 117 TRP HZ3 0 AMBIG 337 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 823, 736,
&end
#
# 55 VAL HN 0 AMBIG 338 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1888,1889, 811, 812, 759, 760,
&end
#
# 57 ILE HN 0 AMBIG 339 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 791, 792, 896,
&end
#
# 57 ILE HN 0 AMBIG 340 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 805, 806, 399, 400,
&end
#
# 58 ASP- HN 0 AMBIG 341 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 898, 899, 900, 844, 845, 846, 848, 849, 850,
&end
#
# 60 SER HN 0 AMBIG 342 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 880, 948, 949,
&end
#
# 64 SER HN 0 AMBIG 343 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 957, 955,
&end
#
# 65 ASP- HN 0 AMBIG 344 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 967, 953,
&end
#
# 67 ILE HN 0 AMBIG 345 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 610, 611, 612,1091,1092,1093,1095,1096,1097,
&end
#
# 68 ASP- HN 0 AMBIG 346 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1009,1063,
&end
#
# 68 ASP- HN 0 AMBIG 347 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 73 ASN HN 0 AMBIG 348 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1424,1425,1426,1428,1429,1430,1176,1177,1178,1180,
1181,1182,
&end
#
# 74 ASN HN 0 AMBIG 349 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1110,1111,1124,1125,
&end
#
# 74 ASN HN 0 AMBIG 350 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 85, 86, 87,1089,
&end
#
# 75 ALA HN 0 AMBIG 351 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 110,1028,
&end
#
# 75 ALA HN 0 AMBIG 352 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1176,1177,1178,1180,1181,1182,1091,1092,1093,1095,
1096,1097,
&end
#
# 75 ALA HN 0 AMBIG 353 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1424,1425,1426,1428,1429,1430, 78, 79, 80,1176,
1177,1178,1180,1181,1182,
&end
#
# 6 ILE HN 0 AMBIG 354 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1151, 486,
&end
#
# 79 VAL HN 0 AMBIG 355 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 151, 131,
&end
#
# 79 VAL HN 0 AMBIG 356 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 141, 145,1520,
&end
#
# 79 VAL HN 0 AMBIG 357 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1160,1161,1162,1164,1165,1166, 311, 312, 313,
&end
#
# 80 THR HN 0 AMBIG 358 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1480,1495,
&end
#
# 80 THR HN 0 AMBIG 359 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1512,1186,
&end
#
# 80 THR HN 0 AMBIG 360 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1520, 141, 145,
&end
#
# 82 CYX HN 0 AMBIG 361 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 174, 175,1516,1517,
&end
#
# 82 CYX HN 0 AMBIG 362 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1288,1289,1499,1500,
&end
#
# 82 CYX HN 0 AMBIG 363 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 242, 243, 245, 246,1332,1333,
&end
#
# 84 ASP- HN 0 AMBIG 364 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1538,1539,1621,1622,
&end
#
# 87 ASP- HN 0 AMBIG 365 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1264,1575,
&end
#
# 87 ASP- HN 0 AMBIG 366 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1621,1622,1322,1323,
&end
#
# 87 ASP- HN 0 AMBIG 367 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 187, 188, 189,1303,1304,
&end
#
# 89 CYX HN 0 AMBIG 368 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1329,1330,1329,1330,
&end
#
# 89 CYX HN 0 AMBIG 369 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 187, 188, 189,1303,1304,
&end
#
# 98 ARG+ HN 0 AMBIG 370 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1434,1170,
&end
#
# 99 GLU- HN 0 AMBIG 371 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1202,1170,
&end
#
# 99 GLU- HN 0 AMBIG 372 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1456,1186,
&end
#
# 99 GLU- HN 0 AMBIG 373 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1480, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1158,1208,1209,1210,
&end
#
# 101 TRP HN 0 AMBIG 374 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1484,1485,1220,1221,
&end
#
# 107 ALA HN 0 AMBIG 375 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 231, 232, 248, 249,
&end
#
# 107 ALA HN 0 AMBIG 376 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1601, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 108 ARG+ HN 0 AMBIG 377 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1588,1589,1730,
&end
#
# 109 ALA HN 0 AMBIG 378 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1741,1742,1579,1580,
&end
#
# 109 ALA HN 0 AMBIG 379 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1635, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 111 GLY HN 0 AMBIG 380 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1662, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1735,1736,1738,1739,
&end
#
# 113 GLU- HN 0 AMBIG 381 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1738,1739,1735,1736,
&end
#
# 114 GLU- HN 0 AMBIG 382 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1698, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=1738,1739,1735,1736,1778,1779,1780,
&end
#
# 115 GLU- HN 0 AMBIG 383 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1698,1669,
&end
#
# 117 TRP HN 0 AMBIG 384 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1750, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1808,1809,1720,1721,
&end
#
# 118 ALA HN 0 AMBIG 385 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1769,1763,
&end
#
# 118 ALA HN 0 AMBIG 386 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1774, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1828,1829,1702,1703,
&end
#
# 119 PHE HN 0 AMBIG 387 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1828,1829,1869,
&end
#
# 119 PHE HN 0 AMBIG 388 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 122 ARG+ HN 0 AMBIG 389 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1909,1910,1891,1892,
&end
#
# 123 VAL HN 0 AMBIG 390 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1921,1922,1831,1832,
&end
#
# 124 ARG+ HN 0 AMBIG 391 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1881, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1591,1592,1936, 245, 246,
&end
#
# 106 PRO QG 0 AMBIG 392 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1591,1592,
igr2=1881,1804,
&end
#
# 125 ASP- HN 0 AMBIG 393 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1841,1958,
&end
#
# 125 ASP- HN 0 AMBIG 394 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1828,1829, 294, 295,
&end
#
# 126 GLU- HN 0 AMBIG 395 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1932,1905,
&end
#
# 126 GLU- HN 0 AMBIG 396 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1881,1865,
&end
#
# 126 GLU- HN 0 AMBIG 397 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1891,1892,1547,1548,
&end
#
# 128 GLY HN 0 AMBIG 398 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1883,1960,
&end
#
# 128 GLY HN 0 AMBIG 399 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 309, 240,
&end
#
# 128 GLY HN 0 AMBIG 400 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1951, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1891,1892,1982,1983,
&end
#
# 130 ARG+ HN 0 AMBIG 401 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1972, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1996,1958,
&end
#
# 131 LEU HN 0 AMBIG 402 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1996, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1962,1963,1924,1925, 416, 417,
&end
#
# 133 GLU- HN 0 AMBIG 403 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2037, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2025,2026,2125,2126,
&end
#
# 139 LYS+ HN 0 AMBIG 404 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2118, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2097,2052,
&end
#
# 3 ASN QD2 0 AMBIG 405 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 45, 46,
igr2= 36, 459,
&end
#
# 3 ASN QD2 0 AMBIG 406 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 45, 46,
igr2= 36, 459,
&end
#
# 18 GLN QE2 0 AMBIG 407 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 285, 286,
igr2= 953, 967,
&end
#
# 18 GLN QE2 0 AMBIG 408 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 285, 286,
igr2= 206, 207, 982, 983,
&end
#
# 18 GLN QE2 0 AMBIG 409 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 285, 286,
igr2= 953, 967,
&end
#
# 26 GLN QE2 0 AMBIG 410 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 407, 408,
igr2= 377, 378, 399, 400,
&end
#
# 26 GLN QE2 0 AMBIG 411 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 407, 408,
igr2= 402, 403, 399, 400,
&end
#
# 26 GLN QE2 0 AMBIG 412 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 407, 408,
igr2= 377, 378, 399, 400,
&end
#
# 26 GLN QE2 0 AMBIG 413 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 407, 408,
igr2= 402, 403, 399, 400,
&end
#
# 45 ASN QD2 0 AMBIG 414 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 684,1601,
&end
#
# 45 ASN QD2 0 AMBIG 415 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 693, 694,
igr2= 684,1601,
&end
#
# 47 ASN QD2 0 AMBIG 416 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 721, 722,
igr2= 693, 694, 726,
&end
#
# 47 ASN QD2 0 AMBIG 417 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 721, 722,
igr2= 693, 694, 726,
&end
#
# 47 ASN QD2 0 AMBIG 418 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 721, 722,
igr2= 716, 717,1732,1733,
&end
#
# 47 ASN QD2 0 AMBIG 419 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 721, 722,
igr2=1603, 728,1700, 708,
&end
#
# 47 ASN QD2 0 AMBIG 420 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 721, 722,
igr2=1603, 728,1700, 708,
&end
#
# 62 GLN QE2 0 AMBIG 421 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 948, 949,
igr2= 280, 281, 383, 384,
&end
#
# 62 GLN QE2 0 AMBIG 422 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 948, 949,
igr2= 321, 322, 324, 325,
&end
#
# 62 GLN QE2 0 AMBIG 423 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 948, 949,
igr2= 931, 932, 211, 212,
&end
#
# 62 GLN QE2 0 AMBIG 424 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 948, 949,
igr2= 931, 932, 211, 212,
&end
#
# 62 GLN QE2 0 AMBIG 425 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 948, 949,
igr2= 321, 322, 324, 325,
&end
#
# 62 GLN QE2 0 AMBIG 426 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 948, 949,
igr2= 280, 281, 383, 384,
&end
#
# 73 ASN QD2 0 AMBIG 427 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1110,1111,
igr2=1105,1106,1119,1120,
&end
#
# 73 ASN QD2 0 AMBIG 428 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1110,1111,
igr2=1053,1103,
&end
#
# 73 ASN QD2 0 AMBIG 429 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1110,1111,
igr2=1053,1103,
&end
#
# 73 ASN QD2 0 AMBIG 430 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1110,1111,
igr2=1105,1106,1119,1120,
&end
#
# 74 ASN QD2 0 AMBIG 431 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1124,1125,
igr2= 52,1053,
&end
#
# 74 ASN QD2 0 AMBIG 432 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1124,1125,
igr2= 52,1053,
&end
#
# 74 ASN QD2 0 AMBIG 433 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1124,1125,
igr2= 78, 79, 80, 85, 86, 87,
&end
#
# 129 ASN QD2 0 AMBIG 434 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1967,1968,
igr2=2044,2045,1921,1922,
&end
#
# 129 ASN QD2 0 AMBIG 435 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1967,1968,
igr2=1962,1963,1924,1925,
&end
#
# 129 ASN QD2 0 AMBIG 436 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1967,1968,
igr2=1974,1960,
&end
#
# 129 ASN QD2 0 AMBIG 437 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1967,1968,
igr2=1974,1960,
&end
#
# 129 ASN QD2 0 AMBIG 438 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1967,1968,
igr2=1962,1963,1924,1925,
&end
#
# 129 ASN QD2 0 AMBIG 439 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1967,1968,
igr2=2044,2045,1921,1922,
&end
#
# 117 TRP HE1 0 AMBIG 440 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 765, 766,1754,1755,
&end
#
# 117 TRP HE1 0 AMBIG 441 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1828,1829,1702,1703,
&end
#
# 101 TRP HE1 0 AMBIG 442 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1225,1226,1227,1229,1230,1231,1160,1161,1162,1164,
1165,1166,
&end
#
# 101 TRP HE1 0 AMBIG 443 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1482,2054,
&end
#
# 101 TRP HE1 0 AMBIG 444 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1520, 141, 145,
&end
#
# 32 TRP HE1 0 AMBIG 445 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 60, 61, 54, 55,
&end
#
# 32 TRP HE1 0 AMBIG 446 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 478, 479, 63, 64,
&end
#
# 32 TRP HE1 0 AMBIG 447 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 473, 454, 455,
&end
#
# 32 TRP HE1 0 AMBIG 448 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 45, 46,2064, 503,
&end
#
# 23 TRP HE1 0 AMBIG 449 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1938,1939,1940, 301, 302, 303,1945,1946,1947,
&end
#
# 23 TRP HE1 0 AMBIG 450 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1885,1886,1953,1954,
&end
#
# 23 TRP HE1 0 AMBIG 451 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1891,1892,1909,1910,
&end
#
# 23 TRP HE1 0 AMBIG 452 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1826, 334, 335,
&end
#
# 23 TRP HE1 0 AMBIG 453 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1934, 297, 298,
&end
#
# 23 TRP HE1 0 AMBIG 454 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 309, 240,
&end
#
# 23 TRP HE1 0 AMBIG 455 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1907, 786,
&end
#
# 23 TRP HE1 0 AMBIG 456 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 354,1972,
&end
#
# 23 TRP HE1 0 AMBIG 457 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2= 844, 845, 846, 848, 849, 850,1942,1943,1871,1872,
1873,1875,1876,1877,
&end
#
# 137 THR HB 0 AMBIG 458 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2101, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2128,2129,2122,2123,
&end
#
# 80 THR HB 0 AMBIG 459 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1235,1216,
&end
#
# 92 THR HB 0 AMBIG 460 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1365,1366,1367,1091,1092,1093,1095,1096,1097,
&end
#
# 123 VAL HA 0 AMBIG 461 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 123 VAL HA 0 AMBIG 462 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1924,1925,1909,1910,
&end
#
# 123 VAL HA 0 AMBIG 463 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1865,1881,
&end
#
# 11 THR HA 0 AMBIG 464 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1332,1333,1332,1333,
&end
#
# 49 VAL HA 0 AMBIG 465 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 49 VAL HA 0 AMBIG 466 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 791, 792, 896,
&end
#
# 49 VAL HA 0 AMBIG 467 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 708, 776,
&end
#
# 127 ILE HA 0 AMBIG 468 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1945,1946,1947,1938,1939,1940,
&end
#
# 46 PRO HA 0 AMBIG 469 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 46 PRO HA 0 AMBIG 470 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 752, 684,
&end
#
# 39 ILE HA 0 AMBIG 471 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1332,1333,1332,1333,
&end
#
# 71 ILE HA 0 AMBIG 472 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 78, 79, 80,1089, 85, 86, 87,
&end
#
# 120 PHE HA 0 AMBIG 473 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 120 PHE HA 0 AMBIG 474 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1804,1865,1881,
&end
#
# 67 ILE HA 0 AMBIG 475 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1022,1023,1024,1015,1016,1017,
&end
#
# 106 PRO HA 0 AMBIG 476 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1601,1804,
&end
#
# 106 PRO HA 0 AMBIG 477 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1591,1592,1735,1736,1618,1619,
&end
#
# 106 PRO HA 0 AMBIG 478 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 60 SER HA 0 AMBIG 479 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 112 THR HA 0 AMBIG 480 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1669,1698,
&end
#
# 112 THR HA 0 AMBIG 481 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1690,1691,1717,1718,1705,1706,
&end
#
# 112 THR HA 0 AMBIG 482 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1717,1718,1702,1703,
&end
#
# 34 VAL HA 0 AMBIG 483 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 134 PHE HA 0 AMBIG 484 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2052,2097,
&end
#
# 63 THR HA 0 AMBIG 485 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 953, 967,
&end
#
# 119 PHE HA 0 AMBIG 486 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1804,1865,
&end
#
# 63 THR HA 0 AMBIG 487 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 959, 960, 961, 669, 670,
&end
#
# 14 SER QB 0 AMBIG 488 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 220, 221,
igr2= 645, 646, 688, 689,
&end
#
# 14 SER QB 0 AMBIG 489 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 220, 221,
igr2= 645, 646, 688, 689,
&end
#
# 14 SER HA 0 AMBIG 490 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 667, 220, 221,
&end
#
# 5 ILE HA 0 AMBIG 491 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 514, 515, 76,
&end
#
# 23 TRP HA 0 AMBIG 492 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 402, 403, 399, 400,
&end
#
# 79 VAL HA 0 AMBIG 493 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr2=1176,1177,1178,1180,1181,1182,1160,1161,1162,1164,
1165,1166,1225,1226,1227,1229,1230,1231,
&end
#
# 92 THR HA 0 AMBIG 494 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1365,1366,1367,1091,1092,1093,1095,1096,1097,
&end
#
# 92 THR HA 0 AMBIG 495 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1086,1087,1377,1378,
&end
#
# 92 THR HA 0 AMBIG 496 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1335,1336,1377,1378,
&end
#
# 113 GLU- HA 0 AMBIG 497 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1738,1739,1735,1736,
&end
#
# 116 LYS+ HA 0 AMBIG 498 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1732,1733,1732,1733,
&end
#
# 116 LYS+ HA 0 AMBIG 499 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1750,1645,
&end
#
# 16 ARG+ HA 0 AMBIG 500 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 16 ARG+ HA 0 AMBIG 501 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 248, 249, 297, 298,
&end
#
# 124 ARG+ HA 0 AMBIG 502 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 124 ARG+ HA 0 AMBIG 503 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,1942,1943,
&end
#
# 53 LYS+ HA 0 AMBIG 504 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 861, 854,
&end
#
# 53 LYS+ HA 0 AMBIG 505 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2= 865, 742, 743, 744, 746, 747, 748, 742, 743, 744,
746, 747, 748, 762, 763,
&end
#
# 53 LYS+ HA 0 AMBIG 506 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
&end
#
# 21 GLU- HA 0 AMBIG 507 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 321, 322, 324, 325,
&end
#
# 133 GLU- HA 0 AMBIG 508 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2097,2052,
&end
#
# 133 GLU- HA 0 AMBIG 509 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2086,2087,2041,2042,
&end
#
# 115 GLU- HA 0 AMBIG 510 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1735,1736,1675,1676,1677,
&end
#
# 50 LYS+ HA 0 AMBIG 511 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 805, 806, 756, 757,
&end
#
# 121 GLN HA 0 AMBIG 512 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1881,1865,
&end
#
# 121 GLN HA 0 AMBIG 513 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1891,1892,1909,1910,
&end
#
# 66 ILE HA 0 AMBIG 514 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1019,1020,1000,1001,
&end
#
# 117 TRP HA 0 AMBIG 515 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1750,1836,1837,
&end
#
# 117 TRP HA 0 AMBIG 516 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1808,1809,1754,1755,
&end
#
# 117 TRP HA 0 AMBIG 517 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1700,1786,1603, 776,
&end
#
# 80 THR HA 0 AMBIG 518 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 160, 161, 162, 164, 165, 166,1192,1193,1194,1196,
1197,1198,
&end
#
# 72 LEU HA 0 AMBIG 519 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1115,1063,
&end
#
# 72 LEU HA 0 AMBIG 520 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 97 LYS+ HA 0 AMBIG 521 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1424,1425,1426,1428,1429,1430,1160,1161,1162,1164,
1165,1166,1176,1177,1178,1180,1181,1182,
&end
#
# 31 GLU- HA 0 AMBIG 522 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 36, 459,
&end
#
# 26 GLN HA 0 AMBIG 523 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 399, 400, 402, 403,
&end
#
# 70 ASP- HA 0 AMBIG 524 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1063,1115,
&end
#
# 18 GLN HA 0 AMBIG 525 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 730, 731, 732, 242, 243, 367, 368, 369,
&end
#
# 18 GLN HA 0 AMBIG 526 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 905, 906, 907, 311, 312, 313,
&end
#
# 10 CYS HA 0 AMBIG 527 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1329,1330,1329,1330,
&end
#
# 76 ASP- HA 0 AMBIG 528 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1141, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 85, 86, 87,1176,1177,1178,1180,1181,1182,
&end
#
# 8 PHE HA 0 AMBIG 529 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 151, 131,
&end
#
# 8 PHE HA 0 AMBIG 530 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1223,1463,1464,
&end
#
# 8 PHE HA 0 AMBIG 531 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1208,1209,1210,1158,
&end
#
# 8 PHE HA 0 AMBIG 532 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1225,1226,1227,1229,1230,1231,1176,1177,1178,1180,
1181,1182,
&end
#
# 6 ILE HA 0 AMBIG 533 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 97, 98, 99,1176,1177,1178,1180,1181,1182, 538,
539, 540, 542, 543, 544,
&end
#
# 36 SER HA 0 AMBIG 534 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 573, 574, 266, 267,
&end
#
# 36 SER HA 0 AMBIG 535 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 321, 322, 324, 325,
&end
#
# 32 TRP HA 0 AMBIG 536 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 24 ALA HA 0 AMBIG 537 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 24 ALA HA 0 AMBIG 538 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2005,2006,2007,2009,2010,2011, 442, 443, 444, 446,
447, 448,
&end
#
# 129 ASN HA 0 AMBIG 539 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2022,2023,2022,2023,
&end
#
# 51 ALA HN 0 AMBIG 540 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 776, 728,
&end
#
# 51 ALA HA 0 AMBIG 541 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1891,1892, 842,
&end
#
# 51 ALA QB 0 AMBIG 542 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 778, 779, 780,
igr2= 776, 728,
&end
#
# 51 ALA HA 0 AMBIG 543 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1891,1892, 830, 831,
&end
#
# 30 ASP- HA 0 AMBIG 544 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 377, 378, 437, 438,
&end
#
# 82 CYX HA 0 AMBIG 545 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1288,1289,1256,1257,
&end
#
# 47 ASN HA 0 AMBIG 546 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 759, 760, 778, 779, 780,
&end
#
# 47 ASN HA 0 AMBIG 547 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 756, 757, 716, 717,
&end
#
# 52 MET HA 0 AMBIG 548 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1891,1892, 842,
&end
#
# 4 LYS+ HA 0 AMBIG 549 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 72, 57, 58,
&end
#
# 77 LEU HA 0 AMBIG 550 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1160,1161,1162,1164,1165,1166,1424,1425,1426,1428,
1429,1430,
&end
#
# 77 LEU HA 0 AMBIG 551 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1441,1442,1155,1156,
&end
#
# 77 LEU HA 0 AMBIG 552 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1170,1434,
&end
#
# 104 ASP- HA 0 AMBIG 553 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1256,1257,1567,1568,
&end
#
# 99 GLU- HA 0 AMBIG 554 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1495,1480,
&end
#
# 91 MET HA 0 AMBIG 555 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1365,1366,1367,1091,1092,1093,1095,1096,1097,
&end
#
# 40 GLU- HA 0 AMBIG 556 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1000,1001, 584, 585, 586,
&end
#
# 40 GLU- HA 0 AMBIG 557 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 620, 621, 620, 621,
&end
#
# 118 ALA HA 0 AMBIG 558 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1824,1784,
&end
#
# 20 ALA HA 0 AMBIG 559 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1938,1939,1940, 311, 312, 313,
&end
#
# 81 LEU HA 0 AMBIG 560 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1235,1216,
&end
#
# 65 ASP- HA 0 AMBIG 561 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1000,1001, 584, 585, 586,
&end
#
# 65 ASP- HA 0 AMBIG 562 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 635, 636, 637, 996, 997, 998,
&end
#
# 107 ALA HA 0 AMBIG 563 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1605,1606,1607,1738,1739,
&end
#
# 109 ALA HA 0 AMBIG 564 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1652,1653,1652,1653,
&end
#
# 98 ARG+ HA 0 AMBIG 565 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1176,1177,1178,1180,1181,1182,1160,1161,1162,1164,
1165,1166,
&end
#
# 58 ASP- HA 0 AMBIG 566 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 814, 815, 884, 885,
&end
#
# 37 ALA HA 0 AMBIG 567 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 206, 207, 982, 983,
&end
#
# 37 ALA HA 0 AMBIG 568 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 266, 267, 197, 198,
&end
#
# 94 PRO QD 0 AMBIG 569 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1388,1389,
igr2=1377,1378,1086,1087,
&end
#
# 93 PRO QD 0 AMBIG 570 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1374,1375,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 41 ALA HA 0 AMBIG 571 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 658, 616,
&end
#
# 93 PRO QD 0 AMBIG 572 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1374,1375,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 7 TYR HA 0 AMBIG 573 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,1176,
1177,1178,1180,1181,1182,
&end
#
# 106 PRO QD 0 AMBIG 574 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1588,1589,
igr2= 245, 246,1591,1592,
&end
#
# 106 PRO QD 0 AMBIG 575 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1588,1589,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 22 GLY QA 0 AMBIG 576 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 334, 335,
igr2= 324, 325, 788, 789, 402, 403,
&end
#
# 22 GLY QA 0 AMBIG 577 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 334, 335,
igr2= 324, 325, 788, 789, 402, 403,
&end
#
# 9 LEU QB 0 AMBIG 578 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 155, 156,
igr2=1332,1333,1332,1333,
&end
#
# 102 GLY QA 0 AMBIG 579 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1538,1539,
igr2=1543,1536,
&end
#
# 56 GLY QA 0 AMBIG 580 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 856, 857,
igr2= 854, 861,
&end
#
# 56 GLY QA 0 AMBIG 581 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 856, 857,
igr2= 854, 861,
&end
#
# 56 GLY QA 0 AMBIG 582 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 856, 857,
igr2= 838, 407, 408,
&end
#
# 56 GLY QA 0 AMBIG 583 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 856, 857,
igr2= 838, 407, 408,
&end
#
# 138 GLY QA 0 AMBIG 584 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2113,2114,
igr2=2097,2052,
&end
#
# 138 GLY QA 0 AMBIG 585 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2113,2114,
igr2=2097,2052,
&end
#
# 29 GLY QA 0 AMBIG 586 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 454, 455,
igr2= 475, 476, 377, 378,
&end
#
# 82 CYX QB 0 AMBIG 587 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1239,1240,
igr2=1288,1289,1322,1323,
&end
#
# 82 CYX QB 0 AMBIG 588 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1239,1240,
igr2=1288,1289,1322,1323,
&end
#
# 77 LEU QB 0 AMBIG 589 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1155,1156,
igr2= 95,1444,1445,
&end
#
# 77 LEU QB 0 AMBIG 590 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1155,1156,
igr2=1170,1434,
&end
#
# 128 GLY QA 0 AMBIG 591 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1953,1954,
igr2=1958,1996,
&end
#
# 128 GLY QA 0 AMBIG 592 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1953,1954,
igr2=1958,1996,
&end
#
# 111 GLY QA 0 AMBIG 593 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1664,1665,
igr2=1675,1676,1677,1735,1736,
&end
#
# 103 PHE QB 0 AMBIG 594 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1547,1548,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 108 ARG+ QD 0 AMBIG 595 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1621,1622,
igr2=1613,1276,
&end
#
# 98 ARG+ QD 0 AMBIG 596 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1466,1467,
igr2=1456,1186,
&end
#
# 98 ARG+ QD 0 AMBIG 597 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1466,1467,
igr2=1456,1186,
&end
#
# 68 ASP- QB 0 AMBIG 598 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1032,1033,
igr2=1073,1074, 584, 585, 586,
&end
#
# 72 LEU QB 0 AMBIG 599 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1086,1087,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 72 LEU QB 0 AMBIG 600 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1086,1087,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 5 ILE HB 0 AMBIG 601 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 85, 86, 87, 78, 79, 80,
&end
#
# 131 LEU QB 0 AMBIG 602 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2000,2001,
igr2=1998, 365,
&end
#
# 131 LEU QB 0 AMBIG 603 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=2000,2001,
igr2=1998, 365,
&end
#
# 131 LEU QB 0 AMBIG 604 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2000,2001,
igr2= 343, 344, 416, 417,
&end
#
# 131 LEU QB 0 AMBIG 605 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=2000,2001,
igr2= 343, 344, 416, 417,
&end
#
# 44 LEU QB 0 AMBIG 606 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 669, 670,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 44 LEU QB 0 AMBIG 607 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 669, 670,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 76 ASP- QB 0 AMBIG 608 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1143,1144,
igr2= 72, 57, 58,
&end
#
# 104 ASP- QB 0 AMBIG 609 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1567,1568,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 104 ASP- QB 0 AMBIG 610 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1567,1568,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 132 LYS+ QE 0 AMBIG 611 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2028,2029,
igr2=2025,2026,2025,2026,
&end
#
# 53 LYS+ QE 0 AMBIG 612 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 814, 815,
igr2= 803, 913,
&end
#
# 97 LYS+ QE 0 AMBIG 613 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1447,1448,
igr2=1155,1156,1441,1442,
&end
#
# 97 LYS+ QE 0 AMBIG 614 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1447,1448,
igr2=1436,1420,
&end
#
# 7 TYR QB 0 AMBIG 615 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 114, 115,
igr2= 110,1186,
&end
#
# 7 TYR QB 0 AMBIG 616 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 114, 115,
igr2=1176,1177,1178,1180,1181,1182,1091,1092,1093,1095,
1096,1097,
&end
#
# 7 TYR QB 0 AMBIG 617 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 114, 115,
igr2=1176,1177,1178,1180,1181,1182, 78, 79, 80,
&end
#
# 7 TYR QB 0 AMBIG 618 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 114, 115,
igr2= 110,1186,
&end
#
# 4 LYS+ QE 0 AMBIG 619 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 63, 64,
igr2= 54, 55, 60, 61,
&end
#
# 131 LEU QB 0 AMBIG 620 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2000,2001,
igr2= 367, 368, 369, 440,
&end
#
# 6 ILE HB 0 AMBIG 621 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1160,1161,1162,1164,1165,1166, 442, 443, 444, 446,
447, 448,
&end
#
# 66 ILE HB 0 AMBIG 622 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 990, 616,
&end
#
# 66 ILE HB 0 AMBIG 623 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1000,1001,1019,1020,
&end
#
# 57 ILE HB 0 AMBIG 624 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 341, 894,
&end
#
# 57 ILE HB 0 AMBIG 625 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 844, 845, 846, 848, 849, 850, 898, 899, 900,
&end
#
# 38 GLY QA 0 AMBIG 626 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 592, 593,
igr2= 590, 195,
&end
#
# 74 ASN QB 0 AMBIG 627 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1119,1120,
igr2=1124,1125,1110,1111,
&end
#
# 8 PHE QB 0 AMBIG 628 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 135, 136,
igr2= 131, 151,
&end
#
# 8 PHE QB 0 AMBIG 629 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 135, 136,
igr2= 573, 574, 266, 267,
&end
#
# 3 ASN QB 0 AMBIG 630 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 40, 41,
igr2= 514, 515, 76,
&end
#
# 27 TYR QB 0 AMBIG 631 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 416, 417,
igr2=2076,2077,2078,2000,2001,
&end
#
# 89 CYX QB 0 AMBIG 632 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1322,1323,
igr2=1247,1248,1344,
&end
#
# 89 CYX QB 0 AMBIG 633 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1322,1323,
igr2=1329,1330,1329,1330,
&end
#
# 89 CYX QB 0 AMBIG 634 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1322,1323,
igr2=1329,1330,1329,1330,
&end
#
# 3 ASN QB 0 AMBIG 635 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 40, 41,
igr2= 514, 515, 76,
&end
#
# 70 ASP- QB 0 AMBIG 636 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1055,1056,
igr2=1110,1111,1124,1125,
&end
#
# 134 PHE QB 0 AMBIG 637 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2056,2057,
igr2=2062,2066, 141, 145,
&end
#
# 73 ASN QB 0 AMBIG 638 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1105,1106,
igr2=1110,1111,1411,
&end
#
# 67 ILE HB 0 AMBIG 639 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1022,1023,1024,1015,1016,1017,
&end
#
# 67 ILE HB 0 AMBIG 640 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 996, 997, 998, 603, 604, 605, 155, 156,
&end
#
# 67 ILE HB 0 AMBIG 641 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 584, 585, 586,1000,1001,
&end
#
# 39 ILE HB 0 AMBIG 642 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1332,1333,1332,1333,
&end
#
# 127 ILE HB 0 AMBIG 643 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1938,1939,1940,1945,1946,1947,
&end
#
# 127 ILE HB 0 AMBIG 644 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2000,2001,1979,1980,
&end
#
# 127 ILE HB 0 AMBIG 645 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1958,1996,
&end
#
# 129 ASN QB 0 AMBIG 646 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1962,1963,
igr2=1921,1922,2044,2045,
&end
#
# 115 GLU- QG 0 AMBIG 647 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1720,1721,
igr2=1717,1718,1702,1703,
&end
#
# 115 GLU- QG 0 AMBIG 648 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1720,1721,
igr2=1649,1650,1732,1733,
&end
#
# 115 GLU- QG 0 AMBIG 649 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1720,1721,
igr2=1675,1676,1677,1735,1736,
&end
#
# 126 GLU- QG 0 AMBIG 650 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1924,1925,
igr2=1958,1996,
&end
#
# 47 ASN QB 0 AMBIG 651 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 716, 717,
igr2= 721, 722,1816,
&end
#
# 47 ASN QB 0 AMBIG 652 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 716, 717,
igr2= 726, 693, 694,
&end
#
# 99 GLU- QG 0 AMBIG 653 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1487,1488,
igr2=1495,1480,
&end
#
# 136 GLU- QG 0 AMBIG 654 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2089,2090,
igr2=2017,2131,2132,
&end
#
# 136 GLU- QG 0 AMBIG 655 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=2089,2090,
igr2=2076,2077,2078,2025,2026,
&end
#
# 40 GLU- QG 0 AMBIG 656 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 623, 624,
igr2= 195, 590,
&end
#
# 47 ASN QB 0 AMBIG 657 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 716, 717,
igr2= 726, 693, 694,
&end
#
# 4 LYS+ QB 0 AMBIG 658 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 54, 55,
igr2= 72, 57, 58,
&end
#
# 21 GLU- QG 0 AMBIG 659 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 324, 325,
igr2= 275, 375,
&end
#
# 21 GLU- QG 0 AMBIG 660 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 324, 325,
igr2= 319, 334, 335,
&end
#
# 21 GLU- QG 0 AMBIG 661 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 324, 325,
igr2= 383, 384, 367, 368, 369,
&end
#
# 98 ARG+ QB 0 AMBIG 662 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1460,1461,
igr2=1466,1467,1466,1467,
&end
#
# 98 ARG+ QB 0 AMBIG 663 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1460,1461,
igr2=1466,1467,1466,1467,
&end
#
# 98 ARG+ QB 0 AMBIG 664 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1460,1461,
igr2=1176,1177,1178,1180,1181,1182,1424,1425,1426,1428,
1429,1430,
&end
#
# 98 ARG+ QB 0 AMBIG 665 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1460,1461,
igr2=1176,1177,1178,1180,1181,1182,1424,1425,1426,1428,
1429,1430,
&end
#
# 96 VAL HB 0 AMBIG 666 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1424,1425,1426,1428,1429,1430,1176,1177,1178,1180,
1181,1182,
&end
#
# 96 VAL HB 0 AMBIG 667 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1176,1177,1178,1180,1181,1182,1091,1092,1093,1095,
1096,1097,
&end
#
# 99 GLU- QB 0 AMBIG 668 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1484,1485,
igr2=1480,1495,
&end
#
# 78 VAL HB 0 AMBIG 669 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1176,1177,1178,1180,1181,1182,1424,1425,1426,1428,
1429,1430,
&end
#
# 19 MET QG 0 AMBIG 670 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 297, 298,
igr2= 905, 906, 907, 301, 302, 303,
&end
#
# 19 MET QB 0 AMBIG 671 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 294, 295,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 97 LYS+ QB 0 AMBIG 672 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1438,1439,
igr2=1434,1170,
&end
#
# 110 GLN QB 0 AMBIG 673 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1649,1650,
igr2=1652,1653,1652,1653,
&end
#
# 110 GLN QB 0 AMBIG 674 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1649,1650,
igr2=1652,1653,1652,1653,
&end
#
# 53 LYS+ QB 0 AMBIG 675 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 805, 806,
igr2= 762, 763, 742, 743, 744, 746, 747, 748, 742, 743,
744, 746, 747, 748,
&end
#
# 49 VAL HB 0 AMBIG 676 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 740, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 90 PRO QB 0 AMBIG 677 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1335,1336,
igr2=1329,1330,1329,1330,
&end
#
# 46 PRO QB 0 AMBIG 678 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 705, 706,
igr2= 762, 763, 742, 743, 744, 746, 747, 748, 742, 743,
744, 746, 747, 748,
&end
#
# 123 VAL HB 0 AMBIG 679 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1865,1881,
&end
#
# 123 VAL HB 0 AMBIG 680 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1808,1809, 294, 295,
&end
#
# 123 VAL HB 0 AMBIG 681 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 90 PRO QB 0 AMBIG 682 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1335,1336,
igr2= 610, 611, 612,1365,1366,1367,
&end
#
# 90 PRO QB 0 AMBIG 683 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1335,1336,
igr2=1329,1330,1329,1330,
&end
#
# 93 PRO QB 0 AMBIG 684 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1380,1381,
igr2=1377,1378,1086,1087,
&end
#
# 55 VAL HB 0 AMBIG 685 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 827, 828, 791, 792,
&end
#
# 54 GLU- QB 0 AMBIG 686 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 827, 828,
igr2=1891,1892, 842,
&end
#
# 54 GLU- QB 0 AMBIG 687 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 827, 828,
igr2= 830, 831,1891,1892,
&end
#
# 126 GLU- QB 0 AMBIG 688 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1921,1922,
igr2=1942,1943,1871,1872,1873,1875,1876,1877,1871,1872,
1873,1875,1876,1877,
&end
#
# 97 LYS+ QD 0 AMBIG 689 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1444,1445,
igr2=1441,1442,1155,1156,
&end
#
# 97 LYS+ QD 0 AMBIG 690 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1444,1445,
igr2=1434,1170,
&end
#
# 113 GLU- QB 0 AMBIG 691 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1687,1688,
igr2=1735,1736,1675,1676,1677,
&end
#
# 90 PRO QG 0 AMBIG 692 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1332,1333,
igr2=1329,1330,1329,1330,
&end
#
# 90 PRO QG 0 AMBIG 693 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1332,1333,
igr2=1329,1330,1329,1330,
&end
#
# 53 LYS+ QD 0 AMBIG 694 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 811, 812,
igr2= 805, 806, 805, 806,
&end
#
# 39 ILE QG1 0 AMBIG 695 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 607, 608,
igr2=1332,1333,1332,1333,1300,1301,
&end
#
# 5 ILE QG1 0 AMBIG 696 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 82, 83,
igr2= 514, 515, 76,
&end
#
# 71 ILE QG1 0 AMBIG 697 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1073,1074,
igr2= 514, 515, 76,
&end
#
# 71 ILE QG1 0 AMBIG 698 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1073,1074,
igr2=1032,1033,1119,1120,
&end
#
# 106 PRO QG 0 AMBIG 699 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1591,1592,
igr2= 294, 295,1615,1616,
&end
#
# 106 PRO QG 0 AMBIG 700 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1591,1592,
igr2=1869, 245, 246,
&end
#
# 106 PRO QG 0 AMBIG 701 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1591,1592,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 93 PRO QG 0 AMBIG 702 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1377,1378,
igr2=1361,1403,
&end
#
# 93 PRO QG 0 AMBIG 703 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1377,1378,
igr2=1424,1425,1426,1428,1429,1430,1176,1177,1178,1180,
1181,1182,
&end
#
# 93 PRO QG 0 AMBIG 704 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1377,1378,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 28 LEU HG 0 AMBIG 705 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 442, 443, 444, 446, 447, 448,2005,2006,2007,2009,
2010,2011,
&end
#
# 66 ILE QG1 0 AMBIG 706 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1000,1001,
igr2= 992, 980,
&end
#
# 66 ILE QG1 0 AMBIG 707 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1000,1001,
igr2= 992, 980,
&end
#
# 122 ARG+ QG 0 AMBIG 708 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1848,1849,
igr2=1909,1910,1924,1925,
&end
#
# 98 ARG+ QG 0 AMBIG 709 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1463,1464,
igr2=1186,1456,
&end
#
# 98 ARG+ QG 0 AMBIG 710 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1463,1464,
igr2=1466,1467,1499,1500,
&end
#
# 77 LEU HG 0 AMBIG 711 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 110,1186,
&end
#
# 77 LEU QQD 0 AMBIG 712 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1160,1161,1162,1164,1165,1166,
igr2= 501, 141, 145,
&end
#
# 77 LEU QQD 0 AMBIG 713 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1444,1445,1484,1485,
&end
#
# 77 LEU QQD 0 AMBIG 714 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1441,1442,1155,1156,
&end
#
# 77 LEU QQD 0 AMBIG 715 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1463,1464,1190,
&end
#
# 72 LEU HG 0 AMBIG 716 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1042,1363,
&end
#
# 9 LEU HG 0 AMBIG 717 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr2=1091,1092,1093,1095,1096,1097,1176,1177,1178,1180,
1181,1182,1365,1366,1367,
&end
#
# 9 LEU HG 0 AMBIG 718 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 155, 156,1019,1020,
&end
#
# 9 LEU HG 0 AMBIG 719 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1332,1333,1332,1333,1174,
&end
#
# 131 LEU QQD 0 AMBIG 720 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=2005,2006,2007,2009,2010,2011,
igr2=1998, 365,
&end
#
# 28 LEU QQD 0 AMBIG 721 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 6 ILE QD1 0 AMBIG 722 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 104, 105, 106,
igr2= 442, 443, 444, 446, 447, 448,2005,2006,2007,2009,
2010,2011,
&end
#
# 81 LEU QQD 0 AMBIG 723 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1220,1221, 245, 246,
&end
#
# 81 LEU QQD 0 AMBIG 724 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1225,1226,1227,1229,1230,1231,
igr2=1520,1553,1557, 141, 145,
&end
#
# 15 CYS QB 0 AMBIG 725 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 231, 232,
igr2= 245, 246, 730, 731, 732,
&end
#
# 15 CYS QB 0 AMBIG 726 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 231, 232,
igr2= 245, 246,1591,1592,
&end
#
# 15 CYS QB 0 AMBIG 727 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 231, 232,
igr2= 245, 246,1591,1592,
&end
#
# 93 PRO QG 0 AMBIG 728 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1=1377,1378,
igr2=1091,1092,1093,1095,1096,1097,1089,
&end
#
# 99 GLU- QB 0 AMBIG 729 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1484,1485,
igr2=1480,1495,
&end
#
# 79 VAL HB 0 AMBIG 730 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 151, 131,
&end
#
# 23 TRP QB 0 AMBIG 731 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 343, 344,
igr2=1953,1954,2000,2001,
&end
#
# 23 TRP QB 0 AMBIG 732 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 343, 344,
igr2=1938,1939,1940, 311, 312, 313,
&end
#
# 32 TRP QB 0 AMBIG 733 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 490, 491,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 32 TRP QB 0 AMBIG 734 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 490, 491,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 106 PRO QB 0 AMBIG 735 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1594,1595,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 4 LYS+ QD 0 AMBIG 736 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 60, 61,
igr2= 63, 64, 28, 29,
&end
#
# 44 LEU HG 0 AMBIG 737 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 116 LYS+ QG 0 AMBIG 738 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1735,1736,
igr2=1645,1750,
&end
#
# 11 THR QG2 0 AMBIG 739 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 187, 188, 189,
igr2=1329,1330,1329,1330,
&end
#
# 11 THR QG2 0 AMBIG 740 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 187, 188, 189,
igr2=1309,1310,1288,1289,
&end
#
# 11 THR QG2 0 AMBIG 741 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 187, 188, 189,
igr2= 601, 623, 624,
&end
#
# 44 LEU QQD 0 AMBIG 742 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 953, 967,
&end
#
# 44 LEU QQD 0 AMBIG 743 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 971, 972, 915, 916,
&end
#
# 44 LEU QQD 0 AMBIG 744 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 277, 278, 672,
&end
#
# 123 VAL QQG 0 AMBIG 745 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1871,1872,1873,1875,1876,1877,
igr2=1814,1818,1854,
&end
#
# 123 VAL QQG 0 AMBIG 746 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1871,1872,1873,1875,1876,1877,
igr2= 245, 246,1591,1592,
&end
#
# 37 ALA QB 0 AMBIG 747 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 584, 585, 586,
igr2= 982, 983, 206, 207,
&end
#
# 131 LEU HG 0 AMBIG 748 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 141, 145,2062,2066,
&end
#
# 131 LEU HG 0 AMBIG 749 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1998, 365,
&end
#
# 131 LEU HG 0 AMBIG 750 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2003, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 343, 344, 416, 417,2056,2057,
&end
#
# 34 VAL QQG 0 AMBIG 751 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 91, 131, 363,
&end
#
# 34 VAL QQG 0 AMBIG 752 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 367, 368, 369, 383, 384,
&end
#
# 34 VAL QQG 0 AMBIG 753 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 536, 377, 378,
&end
#
# 63 THR QG2 0 AMBIG 754 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 959, 960, 961,
igr2= 953, 967,
&end
#
# 63 THR QG2 0 AMBIG 755 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 959, 960, 961,
igr2= 955, 957,
&end
#
# 112 THR QG2 0 AMBIG 756 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1675,1676,1677,
igr2=1705,1706,1717,1718,1690,1691,
&end
#
# 112 THR QG2 0 AMBIG 757 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1675,1676,1677,
igr2=1717,1718,1687,1688,
&end
#
# 51 ALA HN 0 AMBIG 758 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 759, 760, 808, 809,
&end
#
# 16 ARG+ QG 0 AMBIG 759 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 245, 246,
igr2=1591,1592,1223,
&end
#
# 16 ARG+ QG 0 AMBIG 760 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr1= 245, 246,
igr2=1235,1216,
&end
#
# 16 ARG+ QG 0 AMBIG 761 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 245, 246,
igr2=1867, 264,
&end
#
# 16 ARG+ QG 0 AMBIG 762 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 245, 246,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 44 LEU QQD 0 AMBIG 763 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 953, 967,
&end
#
# 44 LEU QQD 0 AMBIG 764 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 943, 944, 896,
&end
#
# 44 LEU QQD 0 AMBIG 765 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 321, 322, 788, 789,
&end
#
# 44 LEU QQD 0 AMBIG 766 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 277, 278, 672,
&end
#
# 44 LEU QQD 0 AMBIG 767 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 674, 675, 676, 678, 679, 680,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 77 LEU QQD 0 AMBIG 768 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1456, 110,
&end
#
# 78 VAL QQG 0 AMBIG 769 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1186, 110,
&end
#
# 78 VAL QQG 0 AMBIG 770 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1361,1153,
&end
#
# 77 LEU QQD 0 AMBIG 771 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1444,1445,1484,1485,
&end
#
# 77 LEU QQD 0 AMBIG 772 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1160,1161,1162,1164,1165,1166,
igr2=1441,1442,1155,1156,
&end
#
# 78 VAL QQG 0 AMBIG 773 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1133,1134,1135,1463,1464,
&end
#
# 92 THR QG2 0 AMBIG 774 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1365,1366,1367,
igr2=1463,1464,1463,1464,
&end
#
# 92 THR QG2 0 AMBIG 775 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1365,1366,1367,
igr2=1466,1467,1466,1467,
&end
#
# 92 THR QG2 0 AMBIG 776 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1365,1366,1367,
igr2=1374,1375,1322,1323,
&end
#
# 92 THR QG2 0 AMBIG 777 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1365,1366,1367,
igr2=1186,1342,1456,
&end
#
# 49 VAL QQG 0 AMBIG 778 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 667, 699, 700,
&end
#
# 49 VAL QQG 0 AMBIG 779 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 805, 806, 705, 706, 756, 757,
&end
#
# 49 VAL QQG 0 AMBIG 780 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 669, 670, 811, 812, 808, 809,
&end
#
# 80 THR QG2 0 AMBIG 781 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1208,1209,1210,
igr2= 155, 156,1463,1464,
&end
#
# 80 THR QG2 0 AMBIG 782 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1208,1209,1210,
igr2=1332,1333,1332,1333,1174,
&end
#
# 80 THR QG2 0 AMBIG 783 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1208,1209,1210,
igr2=1466,1467,1322,1323,
&end
#
# 80 THR QG2 0 AMBIG 784 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1208,1209,1210,
igr2=1329,1330,1329,1330,
&end
#
# 80 THR QG2 0 AMBIG 785 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1208,1209,1210,
igr2=1216,1235,
&end
#
# 80 THR QG2 0 AMBIG 786 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1208,1209,1210,
igr2=1186,1512,
&end
#
# 55 VAL QQG 0 AMBIG 787 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 861, 854,
&end
#
# 55 VAL QQG 0 AMBIG 788 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 844, 845, 846, 848, 849, 850,
igr2=1891,1892, 842,
&end
#
# 55 VAL QQG 0 AMBIG 789 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 827, 828, 791, 792,
&end
#
# 49 VAL QQG 0 AMBIG 790 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 726, 784,
&end
#
# 34 VAL QQG 0 AMBIG 791 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 91, 131, 363,
&end
#
# 34 VAL QQG 0 AMBIG 792 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 534, 512,
&end
#
# 34 VAL QQG 0 AMBIG 793 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 538, 539, 540, 542, 543, 544,
igr2= 367, 368, 369, 383, 384,
&end
#
# 78 VAL QQG 0 AMBIG 794 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1176,1177,1178,1180,1181,1182,
igr2= 151, 131,
&end
#
# 78 VAL QQG 0 AMBIG 795 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1186, 110,
&end
#
# 78 VAL HB 0 AMBIG 796 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1176,1177,1178,1180,1181,1182,1424,1425,1426,1428,
1429,1430,
&end
#
# 96 VAL HB 0 AMBIG 797 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1424,1425,1426,1428,1429,1430,1176,1177,1178,1180,
1181,1182,
&end
#
# 123 VAL QQG 0 AMBIG 798 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1871,1872,1873,1875,1876,1877,
igr2=1945,1946,1947, 301, 302, 303,
&end
#
# 123 VAL QQG 0 AMBIG 799 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1871,1872,1873,1875,1876,1877,
igr2= 242, 243,1924,1925,1579,1580,
&end
#
# 123 VAL QQG 0 AMBIG 800 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1871,1872,1873,1875,1876,1877,
igr2= 245, 246,1591,1592,
&end
#
# 137 THR QG2 0 AMBIG 801 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2103,2104,2105,
igr2=2089,2090,2044,2045,
&end
#
# 28 LEU QQD 0 AMBIG 802 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 433,2072,
&end
#
# 28 LEU QQD 0 AMBIG 803 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 442, 443, 444, 446, 447, 448,
igr2=2064, 503,
&end
#
# 28 LEU QQD 0 AMBIG 804 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 365,1998,
&end
#
# 28 LEU QQD 0 AMBIG 805 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 416, 417,2056,2057,
&end
#
# 96 VAL QQG 0 AMBIG 806 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1434,1170,
&end
#
# 96 VAL QQG 0 AMBIG 807 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1153,1141,
&end
#
# 96 VAL QQG 0 AMBIG 808 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1405,1406,1105,1106,1143,1144,
&end
#
# 96 VAL QQG 0 AMBIG 809 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1377,1378,1086,1087,
&end
#
# 96 VAL QQG 0 AMBIG 810 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1424,1425,1426,1428,1429,1430,
igr2=1176,1177,1178,1180,1181,1182,1091,1092,1093,1095,
1096,1097,
&end
#
# 24 ALA QB 0 AMBIG 811 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 367, 368, 369,
igr2= 395, 494,
&end
#
# 24 ALA QB 0 AMBIG 812 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 367, 368, 369,
igr2= 343, 344, 416, 417, 386, 387,
&end
#
# 24 ALA QB 0 AMBIG 813 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 367, 368, 369,
igr2= 538, 539, 540, 542, 543, 544,2003,
&end
#
# 24 ALA QB 0 AMBIG 814 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 367, 368, 369,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 24 ALA QB 0 AMBIG 815 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 367, 368, 369,
igr2=2005,2006,2007,2009,2010,2011, 442, 443, 444, 446,
447, 448,
&end
#
# 55 VAL QQG 0 AMBIG 816 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 861, 854,
&end
#
# 55 VAL QQG 0 AMBIG 817 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 803, 292,
&end
#
# 55 VAL QQG 0 AMBIG 818 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 844, 845, 846, 848, 849, 850,
igr2=1891,1892, 842,
&end
#
# 55 VAL QQG 0 AMBIG 819 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 827, 828, 791, 792,
&end
#
# 41 ALA QB 0 AMBIG 820 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 635, 636, 637,
igr2= 980, 992,
&end
#
# 109 ALA QB 0 AMBIG 821 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1639,1640,1641,
igr2=1871,1872,1873,1875,1876,1877,1871,1872,1873,1875,
1876,1877,
&end
#
# 109 ALA QB 0 AMBIG 822 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1639,1640,1641,
igr2=1735,1736,1738,1739,
&end
#
# 109 ALA QB 0 AMBIG 823 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1639,1640,1641,
igr2=1732,1733,1732,1733,
&end
#
# 59 ILE QG2 0 AMBIG 824 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 898, 899, 900,
igr2= 339, 953,
&end
#
# 59 ILE QG2 0 AMBIG 825 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 898, 899, 900,
igr2= 791, 792, 896,
&end
#
# 79 VAL QQG 0 AMBIG 826 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1186,1512, 110,
&end
#
# 79 VAL QQG 0 AMBIG 827 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1520, 141, 145,
&end
#
# 79 VAL QQG 0 AMBIG 828 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1225,1226,1227,1229,1230,1231,1160,1161,1162,1164,
1165,1166,
&end
#
# 79 VAL QQG 0 AMBIG 829 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1186,1512, 110,
&end
#
# 79 VAL QQG 0 AMBIG 830 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1155,1156,1441,1442,
&end
#
# 79 VAL QQG 0 AMBIG 831 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1225,1226,1227,1229,1230,1231,1160,1161,1162,1164,
1165,1166,
&end
#
# 135 ALA QB 0 AMBIG 832 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2076,2077,2078,
igr2=2015, 452,
&end
#
# 75 ALA QB 0 AMBIG 833 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1133,1134,1135,
igr2=1153, 534,
&end
#
# 75 ALA QB 0 AMBIG 834 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1133,1134,1135,
igr2=1143,1144,1105,1106,
&end
#
# 75 ALA QB 0 AMBIG 835 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1133,1134,1135,
igr2= 76,1174,
&end
#
# 75 ALA QB 0 AMBIG 836 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1133,1134,1135,
igr2=1176,1177,1178,1180,1181,1182,1424,1425,1426,1428,
1429,1430, 78, 79, 80,
&end
#
# 48 ALA QB 0 AMBIG 837 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 730, 731, 732,
igr2= 297, 298, 231, 232,
&end
#
# 48 ALA QB 0 AMBIG 838 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 730, 731, 732,
igr2= 294, 295, 788, 789,
&end
#
# 48 ALA QB 0 AMBIG 839 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 730, 731, 732,
igr2= 669, 670, 716, 717,
&end
#
# 48 ALA QB 0 AMBIG 840 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 730, 731, 732,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 48 ALA QB 0 AMBIG 841 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 730, 731, 732,
igr2= 905, 906, 907, 301, 302, 303,
&end
#
# 107 ALA QB 0 AMBIG 842 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1605,1606,1607,
igr2=1588,1589, 220, 221,
&end
#
# 118 ALA QB 0 AMBIG 843 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1778,1779,1780,
igr2=1788,1789,1754,1755,
&end
#
# 118 ALA QB 0 AMBIG 844 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1778,1779,1780,
igr2=1788,1789,1851,1852,
&end
#
# 118 ALA QB 0 AMBIG 845 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1778,1779,1780,
igr2=1705,1706,1717,1718,
&end
#
# 118 ALA QB 0 AMBIG 846 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1778,1779,1780,
igr2=1828,1829,1702,1703,
&end
#
# 118 ALA QB 0 AMBIG 847 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1778,1779,1780,
igr2=1732,1733,1732,1733,
&end
#
# 51 ALA QB 0 AMBIG 848 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 778, 779, 780,
igr2=1804,1865,
&end
#
# 51 ALA QB 0 AMBIG 849 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 778, 779, 780,
igr2=1765,1814,1818,
&end
#
# 51 ALA QB 0 AMBIG 850 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 778, 779, 780,
igr2= 776, 728,
&end
#
# 51 ALA QB 0 AMBIG 851 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 778, 779, 780,
igr2=1828,1829, 788, 789, 294, 295,
&end
#
# 51 ALA QB 0 AMBIG 852 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 778, 779, 780,
igr2= 730, 731, 732, 788, 789,
&end
#
# 39 ILE QG2 0 AMBIG 853 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 603, 604, 605,
igr2= 195, 590,
&end
#
# 39 ILE QG2 0 AMBIG 854 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 603, 604, 605,
igr2= 618,1338,
&end
#
# 39 ILE QG2 0 AMBIG 855 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 603, 604, 605,
igr2=1300,1301, 620, 621, 620, 621,1306,1307,
&end
#
# 5 ILE QG2 0 AMBIG 856 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 78, 79, 80,
igr2= 76, 514, 515,
&end
#
# 5 ILE QG2 0 AMBIG 857 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 78, 79, 80,
igr2= 114, 115,1065,
&end
#
# 5 ILE QG2 0 AMBIG 858 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 78, 79, 80,
igr2= 93, 112,
&end
#
# 5 ILE QG2 0 AMBIG 859 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 78, 79, 80,
igr2=1129, 45, 46,
&end
#
# 67 ILE QG2 0 AMBIG 860 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1015,1016,1017,
igr2=1009,1063,
&end
#
# 67 ILE QG2 0 AMBIG 861 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1015,1016,1017,
igr2=1084, 599,
&end
#
# 67 ILE QG2 0 AMBIG 862 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,
igr2=1086,1087,1346,1347,
&end
#
# 67 ILE QG2 0 AMBIG 863 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1015,1016,1017,
igr2=1332,1333,1332,1333,
&end
#
# 67 ILE QG2 0 AMBIG 864 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1015,1016,1017,
igr2= 584, 585, 586,1000,1001,
&end
#
# 6 ILE QG2 0 AMBIG 865 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 97, 98, 99,
igr2= 110, 532,
&end
#
# 6 ILE QG2 0 AMBIG 866 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 97, 98, 99,
igr2= 486,1151, 373,
&end
#
# 6 ILE QG2 0 AMBIG 867 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 97, 98, 99,
igr2= 45, 46, 317,
&end
#
# 6 ILE QG2 0 AMBIG 868 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 97, 98, 99,
igr2= 93, 112,
&end
#
# 6 ILE QG2 0 AMBIG 869 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 97, 98, 99,
igr2= 536, 95,
&end
#
# 6 ILE QG2 0 AMBIG 870 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 97, 98, 99,
igr2=1155,1156, 380, 381,
&end
#
# 127 ILE QG2 0 AMBIG 871 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1938,1939,1940,
igr2=1934, 343, 344,
&end
#
# 127 ILE QG2 0 AMBIG 872 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1938,1939,1940,
igr2=2000,2001,1953,1954,
&end
#
# 20 ALA QB 0 AMBIG 873 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 311, 312, 313,
igr2= 266, 267, 573, 574,
&end
#
# 20 ALA QB 0 AMBIG 874 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 311, 312, 313,
igr2= 343, 344, 297, 298,
&end
#
# 20 ALA QB 0 AMBIG 875 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 311, 312, 313,
igr2= 321, 322, 324, 325,
&end
#
# 20 ALA QB 0 AMBIG 876 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 311, 312, 313,
igr2=1936, 245, 246,
&end
#
# 20 ALA QB 0 AMBIG 877 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 311, 312, 313,
igr2= 367, 368, 369, 242, 243,
&end
#
# 20 ALA QB 0 AMBIG 878 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 311, 312, 313,
igr2= 143, 347,
&end
#
# 57 ILE QG2 0 AMBIG 879 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 867, 868, 869,
igr2= 341, 894, 786,
&end
#
# 57 ILE QG2 0 AMBIG 880 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 867, 868, 869,
igr2= 791, 792, 896,
&end
#
# 57 ILE QG2 0 AMBIG 881 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 867, 868, 869,
igr2= 402, 403, 788, 789,
&end
#
# 57 ILE QG2 0 AMBIG 882 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 867, 868, 869,
igr2= 402, 403, 788, 789,
&end
#
# 71 ILE QG2 0 AMBIG 883 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1069,1070,1071,
igr2=1063,1115,
&end
#
# 71 ILE QG2 0 AMBIG 884 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1069,1070,1071,
igr2=1065, 114, 115,
&end
#
# 71 ILE QG2 0 AMBIG 885 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1069,1070,1071,
igr2=1119,1120,1032,1033,
&end
#
# 71 ILE QG2 0 AMBIG 886 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1069,1070,1071,
igr2= 76, 514, 515,
&end
#
# 71 ILE QG2 0 AMBIG 887 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1069,1070,1071,
igr2=1067,1133,1134,1135,
&end
#
# 124 ARG+ HA 0 AMBIG 888 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 19 MET QB 0 AMBIG 889 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 294, 295,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 19 MET QB 0 AMBIG 890 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 294, 295,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 127 ILE HN 0 AMBIG 891 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1932, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1945,1946,1947, 301, 302, 303,
&end
#
# 19 MET HN 0 AMBIG 892 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 301, 302, 303,1945,1946,1947,
&end
#
# 52 MET QE 0 AMBIG 893 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 795, 796, 797,
igr2= 786, 341,
&end
#
# 52 MET QE 0 AMBIG 894 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 795, 796, 797,
igr2= 788, 789, 294, 295,
&end
#
# 52 MET QE 0 AMBIG 895 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 795, 796, 797,
igr2= 784, 373,
&end
#
# 6 ILE QD1 0 AMBIG 896 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 104, 105, 106,
igr2=1160,1161,1162,1164,1165,1166, 442, 443, 444, 446,
447, 448,
&end
#
# 6 ILE QD1 0 AMBIG 897 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 104, 105, 106,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 6 ILE QD1 0 AMBIG 898 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 104, 105, 106,
igr2=2003,1484,1485,
&end
#
# 6 ILE QD1 0 AMBIG 899 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 104, 105, 106,
igr2= 112, 93,
&end
#
# 6 ILE QD1 0 AMBIG 900 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 104, 105, 106,
igr2= 110,1186,
&end
#
# 6 ILE QD1 0 AMBIG 901 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 104, 105, 106,
igr2= 131, 91,
&end
#
# 59 ILE QD1 0 AMBIG 902 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 905, 906, 907,
igr2= 784, 726,
&end
#
# 59 ILE QD1 0 AMBIG 903 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 905, 906, 907,
igr2= 894, 786,
&end
#
# 59 ILE QD1 0 AMBIG 904 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 905, 906, 907,
igr2= 791, 792, 896,
&end
#
# 59 ILE QD1 0 AMBIG 905 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 905, 906, 907,
igr2= 788, 789, 294, 295,
&end
#
# 59 ILE QD1 0 AMBIG 906 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 905, 906, 907,
igr2= 730, 731, 732, 788, 789,
&end
#
# 59 ILE QD1 0 AMBIG 907 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 905, 906, 907,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 67 ILE QD1 0 AMBIG 908 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1022,1023,1024,
igr2=1342,1028,
&end
#
# 67 ILE QD1 0 AMBIG 909 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1022,1023,1024,
igr2=1332,1333,1332,1333,
&end
#
# 67 ILE QD1 0 AMBIG 910 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1022,1023,1024,
igr2=1019,1020, 155, 156,
&end
#
# 67 ILE QD1 0 AMBIG 911 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1022,1023,1024,
igr2= 607, 608, 584, 585, 586,
&end
#
# 39 ILE QD1 0 AMBIG 912 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 610, 611, 612,
igr2=1329,1330,1329,1330,
&end
#
# 66 ILE QD1 0 AMBIG 913 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1003,1004,1005,
igr2= 980, 992,
&end
#
# 39 ILE QD1 0 AMBIG 914 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 610, 611, 612,
igr2= 187, 188, 189,1303,1304,
&end
#
# 57 ILE QD1 0 AMBIG 915 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 874, 875, 876,
igr2= 861, 854,
&end
#
# 57 ILE QD1 0 AMBIG 916 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 874, 875, 876,
igr2= 343, 344, 297, 298,
&end
#
# 57 ILE QD1 0 AMBIG 917 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 874, 875, 876,
igr2= 842,1891,1892,
&end
#
# 57 ILE QD1 0 AMBIG 918 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 874, 875, 876,
igr2= 402, 403, 399, 400,
&end
#
# 71 ILE QD1 0 AMBIG 919 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1076,1077,1078,
igr2= 78, 79, 80,1089,
&end
#
# 90 PRO QD 0 AMBIG 920 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1329,1330,
igr2=1332,1333,1332,1333,
&end
#
# 90 PRO QD 0 AMBIG 921 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1329,1330,
igr2=1332,1333,1332,1333,
&end
#
# 58 ASP- HA 0 AMBIG 922 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 18 GLN HA 0 AMBIG 923 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 321, 322, 280, 281,
&end
#
# 27 TYR QB 0 AMBIG 924 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 416, 417,
igr2=2076,2077,2078,2000,2001,
&end
#
# 53 LYS+ QG 0 AMBIG 925 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 808, 809,
igr2= 742, 743, 744, 746, 747, 748, 762, 763,
&end
#
# 53 LYS+ QD 0 AMBIG 926 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 811, 812,
igr2= 814, 815, 884, 885,
&end
#
# 59 ILE HA 0 AMBIG 927 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 943, 944, 896,
&end
#
# 89 CYX HA 0 AMBIG 928 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 187, 188, 189,1303,1304,
&end
#
# 89 CYX HA 0 AMBIG 929 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1332,1333,1332,1333,
&end
#
# 89 CYX HA 0 AMBIG 930 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1322,1323,1288,1289,
&end
#
# 89 CYX HA 0 AMBIG 931 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1329,1330,1329,1330,
&end
#
# 131 LEU HA 0 AMBIG 932 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1996,2052,
&end
#
# 131 LEU HA 0 AMBIG 933 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2000,2001,1979,1980,
&end
#
# 73 ASN QB 0 AMBIG 934 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1105,1106,
igr2=1103,1053,
&end
#
# 109 ALA QB 0 AMBIG 935 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1639,1640,1641,
igr2=1738,1739,1615,1616,
&end
#
# 69 SER HA 0 AMBIG 936 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1063,1115,
&end
#
# 127 ILE HA 0 AMBIG 937 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1996,1958,
&end
#
# 130 ARG+ HA 0 AMBIG 938 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1996,2052,
&end
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