NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
15866 |
1z2d   |
6075 | cing | 1-original | 3 | AMBER | distance | general distance | simple |
#
# 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,
rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
&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
#
# 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
#
# 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
#
# 19 MET HN 15 CYS O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 290, 236, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 20 ALA HN 16 ARG+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 307, 260, 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
#
# 32 TRP HN 29 GLY O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 486, 457, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 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, &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
#
# 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
#
# 49 VAL HN 45 ASN O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 736, 696, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 50 LYS+ HN 46 PRO O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 752, 710, 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
#
# 54 GLU- HN 50 LYS+ O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 823, 772, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 75 ALA HN 72 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1129,1099, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 76 ASP- HN 5 ILE O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1139, 89, 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=1170,1456, 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
#
# 80 THR HN 99 GLU- O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1202,1495, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 81 LEU HN 9 LEU O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1216, 168, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &end
#
# 101 TRP HN 80 THR O 1.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1514,1214, 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=1806,1750, 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=1826,1774, 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=1843,1784, 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=1867,1804, 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=1883,1824, 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=1907,1841, 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=1919,1865, 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=1934,1881, 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=1953,1905, 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=1960,1917, 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=1974,1932, 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=1998,1951, 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=2017,1958, r1= 1.00, r2= 1.50, r3= 2.30, r4= 2.80, &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
#
# 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
#
# 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
#
# 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
#
# 19 MET N 15 CYS O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 289, 236, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 20 ALA N 16 ARG+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 306, 260, 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
#
# 32 TRP N 29 GLY O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 485, 457, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &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
#
# 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
#
# 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
#
# 49 VAL N 45 ASN O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 735, 696, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 50 LYS+ N 46 PRO O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 751, 710, 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
#
# 54 GLU- N 50 LYS+ O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat= 822, 772, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 75 ALA N 72 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1128,1099, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 76 ASP- N 5 ILE O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1138, 89, 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=1169,1456, 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
#
# 80 THR N 99 GLU- O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1201,1495, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 81 LEU N 9 LEU O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1215, 168, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 101 TRP N 80 THR O 2.5 3.3
&rst
ixpk= 0, nxpk= 0, iat=1513,1214, 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=1805,1750, 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=1825,1774, 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=1842,1784, 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=1866,1804, 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=1882,1824, 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=1906,1841, 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=1918,1865, 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=1933,1881, 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=1952,1905, 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=1959,1917, 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=1973,1932, 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=1997,1951, 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=2016,1958, r1= 2.00, r2= 2.50, r3= 3.30, r4= 3.80, &end
#
# 10 CYS HA 10 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 10 CYS HA 10 CYS QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 174, 175,
&end
#
# 10 CYS HA 11 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 CYS HA 12 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 172, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 CYS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 172,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 CYS HA 85 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1269,1270,1271,
&end
#
# 10 CYS HA 88 LYS+ QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1301,1302,
&end
#
# 10 CYS QB 10 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 174, 175,
&end
#
# 17 SER QB 10 CYS HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 170, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 266, 267,
&end
#
# 10 CYS HN 37 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 170, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 CYS HN 38 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 170, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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
#
# 85 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=1269,1270,1271,
&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
#
# 10 CYS HN 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 170, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 CYS HN 9 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 174, 175,
&end
#
# 10 CYS QB 17 SER 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= 174, 175,
igr2= 266, 267,
&end
#
# 81 LEU QB 10 CYS 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=1220,1221,
igr2= 174, 175,
&end
#
# 81 LEU QQD 10 CYS 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=1225,1226,1227,1229,1230,1231,
igr2= 174, 175,
&end
#
# 100 HIS HN 100 HIS HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1499, 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= -1,1499, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1501,1502,
&end
#
# 101 TRP HN 100 HIS HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1514,1499, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 VAL QQG 100 HIS HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 80 THR HN 100 HIS HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1202,1499, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 THR QG2 100 HIS HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1208,1209,1210,
&end
#
# 100 HIS HA 81 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1499,1216, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 86 ALA QB 100 HIS HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1279,1280,1281,
&end
#
# 100 HIS QB 100 HIS HN 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=1501,1502,
&end
#
# 101 TRP HD1 100 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1522,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 HIS HN 101 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1524, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 HIS HN 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1497,1514, 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= -1,1497, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 100 HIS HN 99 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1497,1484, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 99 GLU- HN 100 HIS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1497, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 GLU- QB 100 HIS HN 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=1486,1487,
&end
#
# 100 HIS QB 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1501,1502,
&end
#
# 100 HIS QB 86 ALA QB 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=1501,1502,
igr2=1279,1280,1281,
&end
#
# 101 TRP HD1 101 TRP HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1522,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HA 101 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1516,1524, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 101 TRP HN 101 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1514,1516, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 TRP QB 101 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1518,1519,
&end
#
# 102 GLY HN 101 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1538,1516, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 PHE QE 101 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1555,1559,
&end
#
# 101 TRP HD1 101 TRP HE1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1522,1524, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 TRP HD1 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1522,1514, 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=1522,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HD1 79 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1522,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HD1 81 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1522, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 101 TRP HH2 101 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1529,1524, 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=1527,1524, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 TRP HZ3 101 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1531,1524, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 77 LEU QQD 101 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1524, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 79 VAL QQG 101 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1524, 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- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1486,1487,
&end
#
# 101 TRP HE1 99 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1489,1490,
&end
#
# 101 TRP HH2 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1529,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HH2 134 PHE QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2058,2059,
&end
#
# 101 TRP HN 101 TRP QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1518,1519,
&end
#
# 101 TRP HN 102 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1514,1538, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 PHE QE 101 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1555,1559,
&end
#
# 79 VAL HA 101 TRP HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1188,1514, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 79 VAL QQG 101 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 101 TRP HN 80 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1514,1202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 TRP HN 81 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1514,1218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 TRP HN 81 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 101 TRP HZ2 134 PHE HN 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 HZ2 81 LEU QQD 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 101 TRP QB 102 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1518,1519,
&end
#
# 101 TRP 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=1518,1519,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 102 GLY HN 102 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1540,1541,
&end
#
# 102 GLY HN 103 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1538,1545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 PHE HZ 102 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1557,1538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE QE 102 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1555,1559,
&end
#
# 79 VAL QQG 102 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1538, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 102 GLY HN 81 LEU HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1538,1218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 GLY HN 81 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 102 GLY QA 103 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1540,1541,
&end
#
# 81 LEU HA 102 GLY QA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1540,1541,
&end
#
# 82 CYS HN 102 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1540,1541,
&end
#
# 102 GLY QA 86 ALA QB 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=1540,1541,
igr2=1279,1280,1281,
&end
#
# 103 PHE HA 103 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1547,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 PHE HA 103 PHE QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1547, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1549,1550,
&end
#
# 103 PHE HA 104 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1547,1565, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 PHE QB 103 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1549,1550,
&end
#
# 104 ASP- HN 103 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1565,1545, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 VAL QQG 103 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 81 LEU HA 103 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU QQD 103 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1545, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 103 PHE HZ 127 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1557,1936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 PHE HZ 130 ARG+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1978,1979,
&end
#
# 104 ASP- HN 103 PHE 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=1549,1550,
&end
#
# 103 PHE 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=1549,1550,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 103 PHE QB 127 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=1549,1550,
igr2=1947,1948,1949,
&end
#
# 103 PHE QE 104 ASP- HN 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=1555,1559,
&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=1555,1559,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 103 PHE QE 126 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1555,1559,
&end
#
# 103 PHE QE 126 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1555,1559,
&end
#
# 103 PHE QE 126 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=1555,1559,
igr2=1923,1924,
&end
#
# 103 PHE QE 127 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1555,1559,
&end
#
# 103 PHE QE 127 ILE HN 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=1555,1559,
&end
#
# 103 PHE QE 130 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1555,1559,
&end
#
# 104 ASP- HN 104 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1565,1567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ASP- HA 104 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1569,1570,
&end
#
# 105 ASP- HN 104 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1577,1567, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 ASP- HA 106 PRO HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1567,1599, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 ASP- HN 104 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1569,1570,
&end
#
# 105 ASP- HN 104 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1577,1565, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 104 ASP- HN 123 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1565, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 105 ASP- HN 104 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=1569,1570,
&end
#
# 104 ASP- 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=1569,1570,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 105 ASP- HN 105 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1577,1579, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 105 ASP- HA 105 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1581,1582,
&end
#
# 106 PRO QD 105 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1590,1591,
&end
#
# 107 ALA HN 105 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1603,1579, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 ASP- HA 108 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1579,1613, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 ASP- HA 109 ALA QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1579, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1641,1642,1643,
&end
#
# 16 ARG+ QG 105 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1579, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 245, 246,
&end
#
# 105 ASP- HN 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=1581,1582,
&end
#
# 106 PRO QD 105 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1577, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1590,1591,
&end
#
# 108 ARG+ HN 105 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1613,1577, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 105 ASP- QB 108 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=1581,1582,
igr2=1623,1624,
&end
#
# 119 PHE QE 105 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=1796,1800,
igr2=1581,1582,
&end
#
# 106 PRO HA 106 PRO QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1596,1597,
&end
#
# 106 PRO QG 106 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1593,1594,
&end
#
# 107 ALA HN 106 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1603,1599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 PRO HA 108 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1599,1613, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 PRO HA 109 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1599,1637, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 PRO HA 109 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1641,1642,1643,
&end
#
# 119 PHE QB 106 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1790,1791,
&end
#
# 106 PRO QD 106 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=1590,1591,
igr2=1596,1597,
&end
#
# 106 PRO QG 106 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=1593,1594,
igr2=1596,1597,
&end
#
# 106 PRO QB 107 ALA HN 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=1596,1597,
&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=1596,1597,
igr2=1641,1642,1643,
&end
#
# 106 PRO QB 120 PHE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1596,1597,
&end
#
# 106 PRO QB 120 PHE HN 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=1596,1597,
&end
#
# 106 PRO QB 123 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1871, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1596,1597,
&end
#
# 106 PRO 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=1596,1597,
igr2=1873,1874,1875,1877,1878,1879,
&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=1590,1591,
igr2=1593,1594,
&end
#
# 107 ALA HN 106 PRO QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1590,1591,
&end
#
# 106 PRO QD 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=1590,1591,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 106 PRO QD 47 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=1590,1591,
igr2= 721, 722,
&end
#
# 106 PRO QG 107 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1593,1594,
&end
#
# 106 PRO QG 108 ARG+ 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=1593,1594,
igr2=1623,1624,
&end
#
# 106 PRO QG 120 PHE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1593,1594,
&end
#
# 106 PRO QG 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=1593,1594,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 106 PRO QG 127 ILE QG1 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=1593,1594,
igr2=1944,1945,
&end
#
# 107 ALA HN 107 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1603,1605, 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=1605, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1607,1608,1609,
&end
#
# 108 ARG+ HN 107 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1613,1605, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 ALA HN 107 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1637,1605, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ QG 107 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1737,1738,
&end
#
# 107 ALA HA 45 ASN QD2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 693, 694,
&end
#
# 107 ALA HN 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=1607,1608,1609,
&end
#
# 108 ARG+ HA 107 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1615,1603, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 ALA HN 108 ARG+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1603,1613, 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=1603,1637, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 ALA QB 107 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1641,1642,1643,
&end
#
# 47 ASN QB 107 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1603, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 716, 717,
&end
#
# 108 ARG+ HN 107 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1607,1608,1609,
&end
#
# 108 ARG+ QD 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=1623,1624,
igr2=1607,1608,1609,
&end
#
# 109 ALA HN 107 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1607,1608,1609,
&end
#
# 109 ALA QB 107 ALA QB 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=1641,1642,1643,
igr2=1607,1608,1609,
&end
#
# 45 ASN QD2 107 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= 693, 694,
igr2=1607,1608,1609,
&end
#
# 47 ASN QD2 107 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= 721, 722,
igr2=1607,1608,1609,
&end
#
# 108 ARG+ HN 108 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1613,1615, 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=1615, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1617,1618,
&end
#
# 108 ARG+ QD 108 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1615, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1623,1624,
&end
#
# 108 ARG+ HA 108 ARG+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1620,1621,
&end
#
# 109 ALA HN 108 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1637,1615, 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=1615, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1659,1660,
&end
#
# 108 ARG+ HN 108 ARG+ QB 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=1617,1618,
&end
#
# 108 ARG+ HN 108 ARG+ QD 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=1623,1624,
&end
#
# 108 ARG+ HN 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=1620,1621,
&end
#
# 109 ALA HA 108 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1639,1613, 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=1613,1637, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 LYS+ QE 108 ARG+ HN 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=1743,1744,
&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=1617,1618,
igr2=1623,1624,
&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=1617,1618,
igr2=1620,1621,
&end
#
# 109 ALA HN 108 ARG+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1617,1618,
&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=1623,1624,
igr2=1620,1621,
&end
#
# 108 ARG+ QD 109 ALA HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1623,1624,
&end
#
# 109 ALA HN 108 ARG+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1623,1624,
&end
#
# 109 ALA HN 109 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1637,1639, 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=1639, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1641,1642,1643,
&end
#
# 110 GLN HN 109 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1647,1639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 ALA HA 110 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1654,1655,
&end
#
# 109 ALA HN 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=1641,1642,1643,
&end
#
# 109 ALA HN 110 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1637,1647, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ QE 109 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1743,1744,
&end
#
# 116 LYS+ QG 109 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1637, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1737,1738,
&end
#
# 109 ALA QB 110 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1641,1642,1643,
&end
#
# 109 ALA QB 110 GLN 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=1641,1642,1643,
igr2=1654,1655,
&end
#
# 109 ALA QB 116 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1641,1642,1643,
&end
#
# 109 ALA QB 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1641,1642,1643,
&end
#
# 116 LYS+ 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=1734,1735,
igr2=1641,1642,1643,
&end
#
# 109 ALA QB 116 LYS+ 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=1641,1642,1643,
igr2=1740,1741,
&end
#
# 109 ALA QB 116 LYS+ QE 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=1641,1642,1643,
igr2=1743,1744,
&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=1737,1738,
igr2=1641,1642,1643,
&end
#
# 109 ALA QB 117 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1641,1642,1643,
&end
#
# 109 ALA QB 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1641,1642,1643,
&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=1790,1791,
igr2=1641,1642,1643,
&end
#
# 109 ALA QB 120 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1641,1642,1643,
&end
#
# 11 THR HA 11 THR HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 185, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HA 11 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 THR HA 11 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 187, 188, 189,
&end
#
# 11 THR HA 12 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HA 39 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ILE HN 11 THR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 183, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 THR HA 39 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 610, 611, 612,
&end
#
# 11 THR HA 39 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 607, 608,
&end
#
# 11 THR HA 39 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 603, 604, 605,
&end
#
# 11 THR HA 40 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 183, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 82 CYS QB 11 THR HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1239,1240,
&end
#
# 85 ALA QB 11 THR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1269,1270,1271,
&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
#
# 11 THR HB 12 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 185, 195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE QD1 11 THR HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 610, 611, 612,
&end
#
# 39 ILE QG1 11 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 607, 608,
&end
#
# 11 THR QG2 11 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 187, 188, 189,
&end
#
# 12 GLY HN 11 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 181, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 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= 197, 198,
&end
#
# 82 CYS QB 11 THR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1239,1240,
&end
#
# 85 ALA QB 11 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1269,1270,1271,
&end
#
# 12 GLY HN 11 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 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
#
# 39 ILE QD1 11 THR 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= 610, 611, 612,
igr2= 187, 188, 189,
&end
#
# 11 THR QG2 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= 187, 188, 189,
&end
#
# 88 LYS+ HN 11 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1297, -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 3.50
&rst
ixpk= 0, nxpk= 0, iat=1647,1649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLN HA 110 GLN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1651,1652,
&end
#
# 110 GLN HA 110 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1659,1660,
&end
#
# 110 GLN HA 110 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1654,1655,
&end
#
# 111 GLY HN 110 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1664,1649, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 110 GLN HA 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1649,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 110 GLN HA 112 THR QG2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1677,1678,1679,
&end
#
# 113 GLU- HA 110 GLN HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1687,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 GLN HA 116 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1740,1741,
&end
#
# 116 LYS+ QE 110 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1743,1744,
&end
#
# 116 LYS+ QG 110 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1737,1738,
&end
#
# 110 GLN HA 117 TRP HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1649,1752, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 110 GLN HN 110 GLN QB 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=1651,1652,
&end
#
# 110 GLN HN 110 GLN QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1659,1660,
&end
#
# 110 GLN QG 110 GLN HN 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=1654,1655,
&end
#
# 111 GLY QA 110 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1666,1667,
&end
#
# 116 LYS+ QG 110 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1737,1738,
&end
#
# 119 PHE QB 110 GLN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1790,1791,
&end
#
# 110 GLN 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=1651,1652,
igr2=1659,1660,
&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=1651,1652,
igr2=1654,1655,
&end
#
# 111 GLY HN 110 GLN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1651,1652,
&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=1654,1655,
igr2=1659,1660,
&end
#
# 110 GLN QG 111 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1654,1655,
&end
#
# 110 GLN QG 112 THR HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1654,1655,
&end
#
# 111 GLY HN 111 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1666,1667,
&end
#
# 112 THR HA 111 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1673,1664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 GLY HN 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1664,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 111 GLY HN 116 LYS+ QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1743,1744,
&end
#
# 112 THR HN 111 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1666,1667,
&end
#
# 111 GLY QA 112 THR 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=1666,1667,
igr2=1677,1678,1679,
&end
#
# 111 GLY QA 115 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1666,1667,
&end
#
# 111 GLY QA 115 GLU- 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=1666,1667,
igr2=1719,1720,
&end
#
# 115 GLU- QG 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=1722,1723,
igr2=1666,1667,
&end
#
# 112 THR HB 112 THR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1675,1673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 THR HA 112 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1673,1671, 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=1673, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1677,1678,1679,
&end
#
# 113 GLU- HN 112 THR HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1685,1673, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 112 THR HA 114 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1673,1700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 GLU- HA 112 THR HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1717,1673, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 115 GLU- HN 112 THR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1715,1673, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 GLU- QB 112 THR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1719,1720,
&end
#
# 112 THR HB 112 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1677,1678,1679,
&end
#
# 112 THR HN 112 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1677,1678,1679,
&end
#
# 113 GLU- HN 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1671, 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=1717,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 GLU- HN 112 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1715,1671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 112 THR HN 115 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1719,1720,
&end
#
# 112 THR HN 115 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1722,1723,
&end
#
# 116 LYS+ HA 112 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1732,1671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ HN 112 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LYS+ QB 112 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1734,1735,
&end
#
# 116 LYS+ QG 112 THR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1737,1738,
&end
#
# 113 GLU- HA 112 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1677,1678,1679,
&end
#
# 113 GLU- HN 112 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1677,1678,1679,
&end
#
# 115 GLU- HA 112 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1677,1678,1679,
&end
#
# 115 GLU- HN 112 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1677,1678,1679,
&end
#
# 112 THR QG2 115 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=1677,1678,1679,
igr2=1719,1720,
&end
#
# 113 GLU- HA 113 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1687,1685, 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=1687, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1689,1690,
&end
#
# 113 GLU- HA 113 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1692,1693,
&end
#
# 113 GLU- HA 114 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1687,1700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 GLU- HA 115 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1687,1715, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLU- HA 115 GLU- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1719,1720,
&end
#
# 113 GLU- HA 116 LYS+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1734,1735,
&end
#
# 113 GLU- HA 116 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1740,1741,
&end
#
# 113 GLU- HA 116 LYS+ QE 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1687, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1743,1744,
&end
#
# 117 TRP HN 113 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1687, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 113 GLU- QB 113 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1689,1690,
&end
#
# 113 GLU- QG 113 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1692,1693,
&end
#
# 113 GLU- HN 114 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1700, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 113 GLU- HN 115 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1685,1715, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ QB 113 GLU- HN 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=1734,1735,
&end
#
# 114 GLU- HA 113 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1692,1693,
&end
#
# 114 GLU- HN 113 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1692,1693,
&end
#
# 116 LYS+ QD 113 GLU- 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=1740,1741,
igr2=1692,1693,
&end
#
# 116 LYS+ QG 113 GLU- 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=1737,1738,
igr2=1692,1693,
&end
#
# 114 GLU- HN 114 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1700,1702, 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=1702, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1704,1705,
&end
#
# 114 GLU- HA 114 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1707,1708,
&end
#
# 114 GLU- HA 115 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1702,1715, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 114 GLU- HA 116 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1702,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HD1 114 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1760,1702, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HN 114 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 114 GLU- HA 117 TRP QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1756,1757,
&end
#
# 114 GLU- HA 118 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1780,1781,1782,
&end
#
# 114 GLU- HN 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=1704,1705,
&end
#
# 114 GLU- HN 114 GLU- QG 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=1707,1708,
&end
#
# 115 GLU- HA 114 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 GLU- HN 114 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1715,1700, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 LYS+ QB 114 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1700, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1734,1735,
&end
#
# 117 TRP HN 114 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1700, 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= -1,1700, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1756,1757,
&end
#
# 118 ALA HN 114 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1776,1700, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 114 GLU- QG 114 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=1707,1708,
igr2=1704,1705,
&end
#
# 115 GLU- HN 114 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1704,1705,
&end
#
# 115 GLU- HN 114 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=1707,1708,
&end
#
# 118 ALA QB 114 GLU- 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=1780,1781,1782,
igr2=1707,1708,
&end
#
# 115 GLU- HA 115 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1717,1715, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 115 GLU- HA 115 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1719,1720,
&end
#
# 115 GLU- HA 115 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1722,1723,
&end
#
# 115 GLU- HA 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ QG 115 GLU- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1717, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1737,1738,
&end
#
# 117 TRP HN 115 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1717, 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=1717,1776, 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=1717, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1780,1781,1782,
&end
#
# 115 GLU- HA 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1717,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 115 GLU- HN 115 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1719,1720,
&end
#
# 115 GLU- HN 116 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1715,1730, 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=1752,1715, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 PHE QB 115 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1790,1791,
&end
#
# 115 GLU- QB 115 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=1719,1720,
igr2=1722,1723,
&end
#
# 116 LYS+ HN 115 GLU- 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=1719,1720,
&end
#
# 115 GLU- QG 116 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1722,1723,
&end
#
# 115 GLU- QG 118 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1722,1723,
&end
#
# 115 GLU- QG 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1722,1723,
&end
#
# 116 LYS+ HN 116 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1730,1732, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 116 LYS+ QB 116 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1734,1735,
&end
#
# 116 LYS+ QD 116 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1740,1741,
&end
#
# 116 LYS+ QE 116 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1743,1744,
&end
#
# 116 LYS+ HA 116 LYS+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1737,1738,
&end
#
# 116 LYS+ HA 117 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1732,1752, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 116 LYS+ HA 118 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1732,1776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 PHE HN 116 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1786,1732, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 PHE QB 116 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1732, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1790,1791,
&end
#
# 120 PHE HN 116 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 LYS+ HN 116 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1734,1735,
&end
#
# 116 LYS+ HN 116 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1740,1741,
&end
#
# 116 LYS+ HN 116 LYS+ QE 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1743,1744,
&end
#
# 116 LYS+ QG 116 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1737,1738,
&end
#
# 116 LYS+ HN 117 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1730,1752, 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=1730,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 116 LYS+ HN 119 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1730,1786, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 119 PHE QB 116 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1790,1791,
&end
#
# 116 LYS+ QB 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=1734,1735,
igr2=1740,1741,
&end
#
# 116 LYS+ QB 116 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=1734,1735,
igr2=1743,1744,
&end
#
# 116 LYS+ QB 116 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=1734,1735,
igr2=1737,1738,
&end
#
# 116 LYS+ QB 117 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1734,1735,
&end
#
# 116 LYS+ QB 118 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1734,1735,
&end
#
# 116 LYS+ QD 116 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=1740,1741,
igr2=1743,1744,
&end
#
# 116 LYS+ QD 116 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=1740,1741,
igr2=1737,1738,
&end
#
# 116 LYS+ QD 117 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1740,1741,
&end
#
# 116 LYS+ QD 119 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1740,1741,
&end
#
# 116 LYS+ QE 116 LYS+ 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=1743,1744,
igr2=1737,1738,
&end
#
# 116 LYS+ QE 119 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1743,1744,
&end
#
# 116 LYS+ QG 117 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1737,1738,
&end
#
# 116 LYS+ QG 118 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1737,1738,
&end
#
# 116 LYS+ QG 119 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1737,1738,
&end
#
# 117 TRP HN 117 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1754, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 117 TRP HA 117 TRP QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1756,1757,
&end
#
# 118 ALA HN 117 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1776,1754, 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=1754,1786, 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=1754,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 120 PHE QB 117 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1810,1811,
&end
#
# 120 PHE QE 117 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1816,1820,
&end
#
# 117 TRP HA 121 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1754,1826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HA 47 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1754, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 721, 722,
&end
#
# 50 LYS+ QD 117 TRP HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1754, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 762, 763,
&end
#
# 117 TRP HD1 117 TRP HE1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1760,1762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP HD1 118 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1760,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP HD1 118 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1780,1781,1782,
&end
#
# 117 TRP HD1 120 PHE QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1810,1811,
&end
#
# 117 TRP HD1 121 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1760, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1838,1839,
&end
#
# 117 TRP HZ2 117 TRP HE1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1765,1762, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP QB 117 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1756,1757,
&end
#
# 118 ALA HA 117 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1778,1762, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 TRP HE1 121 GLN QE2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1838,1839,
&end
#
# 121 GLN QG 117 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1833,1834,
&end
#
# 54 GLU- QB 117 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 827, 828,
&end
#
# 54 GLU- QG 117 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1762, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 830, 831,
&end
#
# 117 TRP HH2 50 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1767, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 762, 763,
&end
#
# 117 TRP HN 117 TRP QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1756,1757,
&end
#
# 117 TRP HN 118 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1752,1776, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 117 TRP HN 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1752,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 117 TRP HZ2 121 GLN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1765,1826, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 TRP HZ2 121 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1838,1839,
&end
#
# 117 TRP HZ2 51 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1765, 776, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 TRP HZ2 54 GLU- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1765, 825, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 117 TRP HZ2 54 GLU- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 827, 828,
&end
#
# 117 TRP HZ2 54 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1765, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 830, 831,
&end
#
# 118 ALA HN 117 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1756,1757,
&end
#
# 117 TRP QB 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=1756,1757,
igr2=1780,1781,1782,
&end
#
# 117 TRP QB 119 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1756,1757,
&end
#
# 120 PHE QE 117 TRP 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=1816,1820,
igr2=1756,1757,
&end
#
# 118 ALA HN 118 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1776,1778, 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=1778, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1780,1781,1782,
&end
#
# 118 ALA HA 119 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1778,1786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA HA 120 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1778,1806, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ALA HA 121 GLN HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1778,1828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 118 ALA HA 121 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1778,1826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA HA 121 GLN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1830,1831,
&end
#
# 118 ALA HA 121 GLN QE2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1838,1839,
&end
#
# 118 ALA HA 121 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1833,1834,
&end
#
# 118 ALA HA 122 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1778,1843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 ALA HN 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=1780,1781,1782,
&end
#
# 118 ALA HN 119 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1776,1786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 120 PHE HN 118 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1806,1776, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 GLN QB 118 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1830,1831,
&end
#
# 122 ARG+ QD 118 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1776, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1853,1854,
&end
#
# 119 PHE HN 118 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1780,1781,1782,
&end
#
# 119 PHE QB 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=1790,1791,
igr2=1780,1781,1782,
&end
#
# 122 ARG+ HA 118 ALA QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1780,1781,1782,
&end
#
# 119 PHE HA 119 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1788,1786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 119 PHE HA 120 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1788,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ARG+ HA 119 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1845,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ARG+ HN 119 PHE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1788, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 119 PHE HA 122 ARG+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1847,1848,
&end
#
# 119 PHE HA 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1788,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 119 PHE HA 123 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 119 PHE QB 119 PHE HN 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=1790,1791,
&end
#
# 119 PHE QE 119 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1796,1800,
&end
#
# 120 PHE HA 119 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1808,1786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 PHE HN 119 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1806,1786, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 121 GLN HA 119 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1828,1786, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 119 PHE HN 121 GLN QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1830,1831,
&end
#
# 122 ARG+ QB 119 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1847,1848,
&end
#
# 119 PHE QB 120 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1790,1791,
&end
#
# 12 GLY QA 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= 197, 198,
&end
#
# 12 GLY HN 13 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 38 GLY QA 12 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 592, 593,
&end
#
# 12 GLY HN 39 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 GLY HN 40 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HN 12 GLY QA 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= 197, 198,
&end
#
# 12 GLY QA 38 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= 197, 198,
igr2= 592, 593,
&end
#
# 12 GLY QA 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= 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
#
# 40 GLU- QB 12 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= 620, 621,
igr2= 197, 198,
&end
#
# 12 GLY QA 67 ILE QG2 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= 197, 198,
igr2=1015,1016,1017,
&end
#
# 120 PHE HA 120 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1808,1806, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 120 PHE HA 120 PHE QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1810,1811,
&end
#
# 120 PHE HA 121 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1808,1826, 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=1808,1843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 PHE HA 123 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1808,1871, 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=1808,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ASN QD2 120 PHE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1808, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 721, 722,
&end
#
# 120 PHE HN 120 PHE QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1810,1811,
&end
#
# 120 PHE QE 120 PHE HN 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=1816,1820,
&end
#
# 47 ASN QB 120 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 716, 717,
&end
#
# 120 PHE HZ 120 PHE QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1818, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1810,1811,
&end
#
# 120 PHE QE 120 PHE 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=1816,1820,
igr2=1810,1811,
&end
#
# 121 GLN HN 120 PHE QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1810,1811,
&end
#
# 120 PHE QB 124 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1810,1811,
&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=1810,1811,
igr2= 778, 779, 780,
&end
#
# 121 GLN HN 121 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1826,1828, 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= -1,1828, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1830,1831,
&end
#
# 121 GLN QE2 121 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1838,1839,
&end
#
# 121 GLN HA 121 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1833,1834,
&end
#
# 122 ARG+ HN 121 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1828, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ARG+ HN 121 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1883,1828, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 GLN HA 124 ARG+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1887,1888,
&end
#
# 125 ASP- HN 121 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1907,1828, 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= 352,1828, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 121 GLN QB 121 GLN HN 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=1830,1831,
&end
#
# 121 GLN QE2 121 GLN HN 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=1838,1839,
&end
#
# 121 GLN HN 121 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1833,1834,
&end
#
# 121 GLN HN 122 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1826,1843, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 121 GLN 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=1830,1831,
igr2=1838,1839,
&end
#
# 121 GLN QB 121 GLN 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=1830,1831,
igr2=1833,1834,
&end
#
# 122 ARG+ HN 121 GLN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1830,1831,
&end
#
# 122 ARG+ QD 121 GLN 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=1853,1854,
igr2=1830,1831,
&end
#
# 121 GLN QB 122 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=1830,1831,
igr2=1850,1851,
&end
#
# 121 GLN QB 123 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1830,1831,
&end
#
# 125 ASP- QB 121 GLN 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=1911,1912,
igr2=1830,1831,
&end
#
# 121 GLN QE2 121 GLN 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=1838,1839,
igr2=1833,1834,
&end
#
# 121 GLN QE2 124 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=1838,1839,
igr2=1893,1894,
&end
#
# 121 GLN QE2 51 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1838,1839,
&end
#
# 121 GLN QE2 51 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=1838,1839,
igr2= 778, 779, 780,
&end
#
# 121 GLN QE2 54 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1838,1839,
&end
#
# 121 GLN QE2 54 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=1838,1839,
igr2= 827, 828,
&end
#
# 121 GLN QE2 55 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1838,1839,
&end
#
# 121 GLN QE2 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=1838,1839,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 122 ARG+ HN 122 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1843,1845, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 122 ARG+ QB 122 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1847,1848,
&end
#
# 122 ARG+ QD 122 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1845, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1853,1854,
&end
#
# 122 ARG+ HA 122 ARG+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1850,1851,
&end
#
# 122 ARG+ HA 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1845,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ASP- HN 122 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1907,1845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 122 ARG+ HA 125 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1911,1912,
&end
#
# 122 ARG+ QB 122 ARG+ HN 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=1847,1848,
&end
#
# 122 ARG+ QD 122 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1853,1854,
&end
#
# 122 ARG+ HN 122 ARG+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1850,1851,
&end
#
# 123 VAL HA 122 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1869,1843, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 123 VAL QQG 122 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1843, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 122 ARG+ HN 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1843,1907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 ARG+ QB 122 ARG+ 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=1847,1848,
igr2=1853,1854,
&end
#
# 123 VAL HN 122 ARG+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1847,1848,
&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=1853,1854,
igr2=1850,1851,
&end
#
# 122 ARG+ QD 123 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1853,1854,
&end
#
# 122 ARG+ QG 123 VAL HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1850,1851,
&end
#
# 122 ARG+ QG 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1850,1851,
&end
#
# 122 ARG+ QG 126 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1850,1851,
&end
#
# 122 ARG+ QG 126 GLU- 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=1850,1851,
igr2=1926,1927,
&end
#
# 123 VAL HA 123 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1869,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 123 VAL HN 123 VAL HA 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 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=1873,1874,1875,1877,1878,1879,
&end
#
# 123 VAL HA 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1869,1883, 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=1869,1907, 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=1921,1869, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 GLU- HN 123 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1869, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 GLU- QB 123 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1923,1924,
&end
#
# 123 VAL HA 126 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1926,1927,
&end
#
# 123 VAL HA 127 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1869,1934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 123 VAL HN 123 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1867,1871, 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=1871, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 123 VAL HN 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=1873,1874,1875,1877,1878,1879,
&end
#
# 125 ASP- HN 123 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1907,1867, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 126 GLU- HN 123 VAL HN 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 QQG 124 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 123 VAL QQG 126 GLU- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 123 VAL QQG 126 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1873,1874,1875,1877,1878,1879,
&end
#
# 123 VAL QQG 127 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=1873,1874,1875,1877,1878,1879,
igr2=1947,1948,1949,
&end
#
# 127 ILE QG1 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=1944,1945,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 16 ARG+ HN 123 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 16 ARG+ QG 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= 245, 246,
igr2=1873,1874,1875,1877,1878,1879,
&end
#
# 124 ARG+ HN 124 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1883,1885, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 124 ARG+ QB 124 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1887,1888,
&end
#
# 124 ARG+ QG 124 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1890,1891,
&end
#
# 124 ARG+ HA 125 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1885,1907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 ILE HB 124 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1938,1885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 124 ARG+ HA 127 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1947,1948,1949,
&end
#
# 128 GLY HN 124 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1953,1885, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET QB 124 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1885, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 294, 295,
&end
#
# 23 TRP HE1 124 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 349,1885, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ARG+ HA 51 ALA QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 778, 779, 780,
&end
#
# 124 ARG+ QB 124 ARG+ HN 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=1887,1888,
&end
#
# 124 ARG+ QG 124 ARG+ HN 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=1890,1891,
&end
#
# 124 ARG+ HN 125 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1883,1907, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 GLU- HN 124 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1883, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET QB 124 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 294, 295,
&end
#
# 23 TRP HE1 124 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HZ2 124 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 352,1883, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 47 ASN QD2 124 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 721, 722,
&end
#
# 51 ALA QB 124 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 778, 779, 780,
&end
#
# 124 ARG+ QB 124 ARG+ 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=1887,1888,
igr2=1893,1894,
&end
#
# 124 ARG+ QB 124 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=1887,1888,
igr2=1890,1891,
&end
#
# 124 ARG+ QB 125 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1887,1888,
&end
#
# 124 ARG+ QB 126 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1887,1888,
&end
#
# 124 ARG+ 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=1887,1888,
&end
#
# 124 ARG+ QB 51 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=1887,1888,
igr2= 778, 779, 780,
&end
#
# 52 MET QE 124 ARG+ 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= 795, 796, 797,
igr2=1887,1888,
&end
#
# 124 ARG+ QB 55 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1887,1888,
&end
#
# 124 ARG+ QD 124 ARG+ 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=1893,1894,
igr2=1890,1891,
&end
#
# 23 TRP HZ2 124 ARG+ QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1893,1894,
&end
#
# 124 ARG+ QD 51 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=1893,1894,
igr2= 778, 779, 780,
&end
#
# 52 MET HA 124 ARG+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1893,1894,
&end
#
# 124 ARG+ QD 55 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=1893,1894,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 124 ARG+ QG 125 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1909, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1890,1891,
&end
#
# 124 ARG+ QG 125 ASP- HN 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=1890,1891,
&end
#
# 124 ARG+ QG 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1890,1891,
&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=1890,1891,
&end
#
# 23 TRP HH2 124 ARG+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1891,
&end
#
# 23 TRP HZ2 124 ARG+ QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1891,
&end
#
# 125 ASP- HN 125 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1907,1909, 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=1909, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1911,1912,
&end
#
# 126 GLU- HN 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1909, 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=1909,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 ASP- HA 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1909,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 GLY QA 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1955,1956,
&end
#
# 129 ASN HN 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1960,1909, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 125 ASP- HA 129 ASN QD2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1969,1970,
&end
#
# 23 TRP HE1 125 ASP- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1909, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HH2 125 ASP- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 354,1909, 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= 352,1909, 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=1907, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1911,1912,
&end
#
# 125 ASP- HN 126 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1907,1919, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 126 GLU- QG 125 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1907, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1926,1927,
&end
#
# 125 ASP- HN 23 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1907, 349, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HZ2 125 ASP- HN 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- QB 126 GLU- HN 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=1911,1912,
&end
#
# 125 ASP- QB 127 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1911,1912,
&end
#
# 125 ASP- QB 129 ASN QD2 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=1911,1912,
igr2=1969,1970,
&end
#
# 126 GLU- HN 126 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1919,1921, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 126 GLU- HA 126 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1923,1924,
&end
#
# 126 GLU- HA 126 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1926,1927,
&end
#
# 126 GLU- HA 127 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1921,1934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 GLY HN 126 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1953,1921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 ASN HN 126 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1960,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 126 GLU- HA 129 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1964,1965,
&end
#
# 129 ASN QD2 126 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1969,1970,
&end
#
# 130 ARG+ HN 126 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1974,1921, 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= -1,1919, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1923,1924,
&end
#
# 126 GLU- HN 126 GLU- QG 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=1926,1927,
&end
#
# 127 ILE HA 126 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1936,1919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 127 ILE HN 126 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1934,1919, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 ILE QG1 126 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1944,1945,
&end
#
# 126 GLU- HN 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1919,1953, 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=1919,1960, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 ASN QD2 126 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1969,1970,
&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=1923,1924,
igr2=1926,1927,
&end
#
# 126 GLU- QB 127 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1923,1924,
&end
#
# 126 GLU- QB 129 ASN 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=1923,1924,
igr2=1964,1965,
&end
#
# 127 ILE HN 126 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1926,1927,
&end
#
# 126 GLU- QG 129 ASN 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=1926,1927,
igr2=1964,1965,
&end
#
# 129 ASN QD2 126 GLU- QG 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=1969,1970,
igr2=1926,1927,
&end
#
# 127 ILE HA 127 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1936,1938, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE HN 127 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 ILE QG1 127 ILE HA 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=1944,1945,
&end
#
# 127 ILE QG2 127 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1940,1941,1942,
&end
#
# 127 ILE HA 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1936,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ARG+ HN 127 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1974,1936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ARG+ QB 127 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1978,1979,
&end
#
# 130 ARG+ QG 127 ILE HA 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=1981,1982,
&end
#
# 127 ILE HN 127 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1934,1938, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 127 ILE HB 127 ILE QD1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1947,1948,1949,
&end
#
# 127 ILE HB 127 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1944,1945,
&end
#
# 127 ILE HB 127 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1940,1941,1942,
&end
#
# 128 GLY HN 127 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1953,1938, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 MET QB 127 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 294, 295,
&end
#
# 127 ILE HB 20 ALA HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1938, 309, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HD1 127 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 347,1938, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE HB 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1938, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 127 ILE HN 127 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1947,1948,1949,
&end
#
# 127 ILE QG1 127 ILE HN 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=1944,1945,
&end
#
# 127 ILE HN 127 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1940,1941,1942,
&end
#
# 127 ILE HN 128 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1953, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 127 ILE HN 129 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1934,1960, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 ASN QD2 127 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1969,1970,
&end
#
# 23 TRP HD1 127 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 347,1934, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HE1 127 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 349,1934, 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=1944,1945,
igr2=1947,1948,1949,
&end
#
# 128 GLY HN 127 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1947,1948,1949,
&end
#
# 16 ARG+ HA 127 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1947,1948,1949,
&end
#
# 16 ARG+ HN 127 ILE QD1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1947,1948,1949,
&end
#
# 16 ARG+ QG 127 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= 245, 246,
igr2=1947,1948,1949,
&end
#
# 19 MET QB 127 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= 294, 295,
igr2=1947,1948,1949,
&end
#
# 20 ALA HN 127 ILE QD1 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=1947,1948,1949,
&end
#
# 81 LEU QQD 127 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=1225,1226,1227,1229,1230,1231,
igr2=1947,1948,1949,
&end
#
# 127 ILE QG1 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1944,1945,
&end
#
# 127 ILE QG1 131 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1944,1945,
&end
#
# 127 ILE QG1 20 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1944,1945,
&end
#
# 127 ILE QG1 20 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1944,1945,
&end
#
# 127 ILE QG1 20 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=1944,1945,
igr2= 311, 312, 313,
&end
#
# 127 ILE QG1 23 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1944,1945,
&end
#
# 81 LEU QQD 127 ILE QG1 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=1944,1945,
&end
#
# 127 ILE QG2 128 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1940,1941,1942,
&end
#
# 127 ILE QG2 128 GLY QA 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=1940,1941,1942,
igr2=1955,1956,
&end
#
# 127 ILE QG2 131 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1940,1941,1942,
&end
#
# 19 MET QB 127 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= 294, 295,
igr2=1940,1941,1942,
&end
#
# 127 ILE QG2 20 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1940,1941,1942,
&end
#
# 20 ALA HN 127 ILE QG2 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=1940,1941,1942,
&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=1940,1941,1942,
&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=1940,1941,1942,
&end
#
# 127 ILE QG2 23 TRP 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=1940,1941,1942,
igr2= 343, 344,
&end
#
# 81 LEU QQD 127 ILE 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=1225,1226,1227,1229,1230,1231,
igr2=1940,1941,1942,
&end
#
# 128 GLY HN 128 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1955,1956,
&end
#
# 128 GLY HN 129 ASN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1953,1960, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 128 GLY HN 130 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1953,1974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 130 ARG+ QB 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1978,1979,
&end
#
# 128 GLY HN 131 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1953,1998, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HD1 128 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 347,1953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 128 GLY HN 23 TRP HE1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1953, 349, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HZ2 128 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352,1953, 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= -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 128 GLY QA 129 ASN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1955,1956,
&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=1955,1956,
&end
#
# 23 TRP 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= 343, 344,
igr2=1955,1956,
&end
#
# 27 TYR QE 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= 422, 427,
igr2=1955,1956,
&end
#
# 129 ASN HN 129 ASN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1960,1962, 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=1962, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1964,1965,
&end
#
# 129 ASN QD2 129 ASN HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1969,1970,
&end
#
# 130 ARG+ HN 129 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1974,1962, 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=2017,1962, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 129 ASN HA 132 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2021,2022,
&end
#
# 132 LYS+ QD 129 ASN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2027,2028,
&end
#
# 132 LYS+ QE 129 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2030,2031,
&end
#
# 132 LYS+ QG 129 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1962, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2024,2025,
&end
#
# 129 ASN HN 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=1964,1965,
&end
#
# 129 ASN QD2 129 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1969,1970,
&end
#
# 130 ARG+ HN 129 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1974,1960, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LYS+ QB 129 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2021,2022,
&end
#
# 23 TRP HE1 129 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1960, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 129 ASN QD2 129 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=1969,1970,
igr2=1964,1965,
&end
#
# 130 ARG+ HN 129 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1964,1965,
&end
#
# 129 ASN QB 131 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=1964,1965,
igr2=2002,2003,
&end
#
# 129 ASN QD2 130 ARG+ HN 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=1969,1970,
&end
#
# 131 LEU HN 129 ASN QD2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1969,1970,
&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 QD2 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= 211, 212,
&end
#
# 13 ASN HA 14 SER HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 204, 216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ASN HA 15 CYS HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 13 ASN HA 17 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 262, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 36 SER QB 13 ASN HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 573, 574,
&end
#
# 13 ASN QB 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= 206, 207,
&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
#
# 13 ASN HN 41 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 ALA QB 13 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 635, 636, 637,
&end
#
# 13 ASN QB 38 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 206, 207,
&end
#
# 13 ASN 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= 206, 207,
igr2= 635, 636, 637,
&end
#
# 13 ASN 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= 206, 207,
&end
#
# 13 ASN QD2 14 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 211, 212,
&end
#
# 17 SER QB 13 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= 266, 267,
igr2= 211, 212,
&end
#
# 13 ASN QD2 18 GLN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 211, 212,
&end
#
# 18 GLN QG 13 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= 280, 281,
igr2= 211, 212,
&end
#
# 36 SER 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= 573, 574,
igr2= 211, 212,
&end
#
# 13 ASN QD2 37 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 211, 212,
&end
#
# 13 ASN QD2 43 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 211, 212,
&end
#
# 130 ARG+ HN 130 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1974,1976, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 130 ARG+ HA 130 ARG+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1978,1979,
&end
#
# 131 LEU QQD 130 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2007,2008,2009,2011,2012,2013,
&end
#
# 132 LYS+ QB 130 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1976, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2021,2022,
&end
#
# 133 GLU- HN 130 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2039,1976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ARG+ HE 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1987,1974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 130 ARG+ QB 130 ARG+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1978,1979,
&end
#
# 130 ARG+ QG 130 ARG+ HN 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=1981,1982,
&end
#
# 131 LEU HN 130 ARG+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1998,1974, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 131 LEU QQD 130 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2007,2008,2009,2011,2012,2013,
&end
#
# 130 ARG+ HN 132 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1974,2017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LYS+ QB 130 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1974, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2021,2022,
&end
#
# 130 ARG+ HN 134 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1974,2054, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 130 ARG+ QB 131 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1978,1979,
&end
#
# 130 ARG+ QG 79 VAL HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1981,1982,
&end
#
# 131 LEU HG 131 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2005,2000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 LEU HN 131 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1998,2000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 LEU HA 131 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2002,2003,
&end
#
# 133 GLU- HN 131 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2000, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 134 PHE HN 131 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2054,2000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 LEU HA 134 PHE QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2058,2059,
&end
#
# 135 ALA HN 131 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2000, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 LEU HA 135 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2078,2079,2080,
&end
#
# 27 TYR QE 131 LEU HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2000, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 422, 427,
&end
#
# 131 LEU HG 131 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2005,1998, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 131 LEU HG 135 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=2005,2074, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 131 LEU HN 131 LEU QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2002,2003,
&end
#
# 131 LEU QQD 131 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=2007,2008,2009,2011,2012,2013,
&end
#
# 131 LEU HN 132 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1998,2017, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 131 LEU HN 133 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1998,2039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 TYR QE 131 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1998, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 131 LEU QB 132 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2017, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2002,2003,
&end
#
# 132 LYS+ QG 131 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=2024,2025,
igr2=2002,2003,
&end
#
# 23 TRP QB 131 LEU 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= 343, 344,
igr2=2002,2003,
&end
#
# 131 LEU QB 24 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2002,2003,
&end
#
# 26 GLN HN 131 LEU QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2002,2003,
&end
#
# 27 TYR QB 131 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= 416, 417,
igr2=2002,2003,
&end
#
# 131 LEU QQD 24 ALA QB 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=2007,2008,2009,2011,2012,2013,
igr2= 367, 368, 369,
&end
#
# 132 LYS+ HN 132 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2017,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 132 LYS+ HA 132 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2021,2022,
&end
#
# 132 LYS+ QD 132 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2027,2028,
&end
#
# 132 LYS+ QG 132 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2024,2025,
&end
#
# 133 GLU- HN 132 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 132 LYS+ HA 135 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2019,2076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LYS+ HA 135 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2019,2074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 132 LYS+ HA 135 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2078,2079,2080,
&end
#
# 136 GLU- HN 132 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 GLU- QG 132 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2091,2092,
&end
#
# 26 GLN QB 132 LYS+ HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 399, 400,
&end
#
# 27 TYR QB 132 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 416, 417,
&end
#
# 27 TYR QE 132 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 422, 427,
&end
#
# 28 LEU QQD 132 LYS+ HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2019, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 132 LYS+ HN 132 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2021,2022,
&end
#
# 132 LYS+ HN 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=2027,2028,
&end
#
# 132 LYS+ HN 132 LYS+ QG 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=2024,2025,
&end
#
# 133 GLU- HN 132 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2017, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 133 GLU- QG 132 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2017, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2046,2047,
&end
#
# 135 ALA HN 132 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 132 LYS+ HN 136 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=2017,2084, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 27 TYR QB 132 LYS+ HN 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= 416, 417,
&end
#
# 27 TYR QE 132 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2017, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 422, 427,
&end
#
# 132 LYS+ QD 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=2027,2028,
igr2=2021,2022,
&end
#
# 132 LYS+ QB 132 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=2021,2022,
igr2=2030,2031,
&end
#
# 132 LYS+ QB 132 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=2021,2022,
igr2=2024,2025,
&end
#
# 133 GLU- HN 132 LYS+ 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=2021,2022,
&end
#
# 132 LYS+ QB 134 PHE HN 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=2021,2022,
&end
#
# 132 LYS+ QB 134 PHE 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=2021,2022,
igr2=2058,2059,
&end
#
# 132 LYS+ QB 136 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2021,2022,
&end
#
# 132 LYS+ QB 136 GLU- 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=2021,2022,
igr2=2091,2092,
&end
#
# 132 LYS+ QD 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=2027,2028,
igr2=2030,2031,
&end
#
# 132 LYS+ QD 132 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=2027,2028,
igr2=2024,2025,
&end
#
# 132 LYS+ QD 133 GLU- HN 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=2027,2028,
&end
#
# 132 LYS+ QD 134 PHE HN 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=2027,2028,
&end
#
# 132 LYS+ QD 135 ALA HN 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=2027,2028,
&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=2024,2025,
igr2=2030,2031,
&end
#
# 132 LYS+ QG 133 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2024,2025,
&end
#
# 132 LYS+ QG 133 GLU- HN 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=2024,2025,
&end
#
# 133 GLU- QB 132 LYS+ QG 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=2043,2044,
igr2=2024,2025,
&end
#
# 132 LYS+ QG 135 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2024,2025,
&end
#
# 132 LYS+ QG 135 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=2024,2025,
igr2=2078,2079,2080,
&end
#
# 132 LYS+ QG 136 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2024,2025,
&end
#
# 132 LYS+ QG 136 GLU- 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=2024,2025,
igr2=2091,2092,
&end
#
# 132 LYS+ QG 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=2024,2025,
igr2=2105,2106,2107,
&end
#
# 133 GLU- HN 133 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2039,2041, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 133 GLU- HA 133 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2043,2044,
&end
#
# 133 GLU- HA 133 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2046,2047,
&end
#
# 133 GLU- HA 134 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2041,2054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 135 ALA HN 133 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2041, 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=2084,2041, 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=2041, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2088,2089,
&end
#
# 136 GLU- QG 133 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2091,2092,
&end
#
# 133 GLU- HA 137 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2041,2101, 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=2041,2099, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 THR QG2 133 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2041, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=2105,2106,2107,
&end
#
# 133 GLU- HA 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2041,2113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU- HA 139 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=2041,2120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 133 GLU- HN 133 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2043,2044,
&end
#
# 133 GLU- HN 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=2046,2047,
&end
#
# 134 PHE HA 133 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2056,2039, 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=2039,2054, 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=2039,2074, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 133 GLU- HN 135 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2078,2079,2080,
&end
#
# 133 GLU- HN 136 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2039,2084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 GLU- HN 137 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2105,2106,2107,
&end
#
# 139 LYS+ QB 133 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2039, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2124,2125,
&end
#
# 134 PHE HN 133 GLU- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2043,2044,
&end
#
# 133 GLU- QB 139 LYS+ HN 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=2043,2044,
&end
#
# 134 PHE HN 133 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2046,2047,
&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=2105,2106,2107,
igr2=2046,2047,
&end
#
# 134 PHE HA 134 PHE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2056,2054, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 134 PHE HA 134 PHE QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2058,2059,
&end
#
# 134 PHE HA 135 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2056,2074, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 138 GLY HN 134 PHE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2113,2056, 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=2056,2120, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 PHE HN 134 PHE QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2058,2059,
&end
#
# 135 ALA HA 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2076,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 PHE HN 135 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2054,2074, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 GLU- HN 134 PHE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 LYS+ HN 134 PHE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2120,2054, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 PHE HZ 77 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2066, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 134 PHE QE 134 PHE 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=2064,2068,
igr2=2058,2059,
&end
#
# 135 ALA HN 134 PHE QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2058,2059,
&end
#
# 134 PHE QB 136 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2058,2059,
&end
#
# 137 THR HB 134 PHE QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=2103, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=2058,2059,
&end
#
# 138 GLY QA 134 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=2115,2116,
igr2=2058,2059,
&end
#
# 139 LYS+ HN 134 PHE QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2058,2059,
&end
#
# 134 PHE QE 135 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2064,2068,
&end
#
# 134 PHE QE 135 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=2064,2068,
&end
#
# 134 PHE QE 139 LYS+ HN 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=2064,2068,
&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=2064,2068,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 134 PHE QE 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=2064,2068,
&end
#
# 135 ALA HN 135 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2074,2076, 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=2076, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2078,2079,2080,
&end
#
# 136 GLU- HN 135 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2076, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 135 ALA HA 137 THR HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=2076,2101, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 135 ALA HA 137 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2076,2099, 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=2076,2113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 138 GLY QA 135 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2115,2116,
&end
#
# 28 LEU HA 135 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 435,2076, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU HG 135 ALA HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 440,2076, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 135 ALA HA 28 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 32 TRP HH2 135 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501,2076, 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=2074, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2078,2079,2080,
&end
#
# 135 ALA HN 136 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 ALA HN 136 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2074,2084, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 136 GLU- QG 135 ALA HN 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=2091,2092,
&end
#
# 135 ALA HN 137 THR HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=2074,2101, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 135 ALA HN 137 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2099, 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= -1,2074, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2105,2106,2107,
&end
#
# 135 ALA HN 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2074,2113, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 TYR QB 135 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 416, 417,
&end
#
# 28 LEU QQD 135 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, 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 2.80
&rst
ixpk= 0, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2078,2079,2080,
&end
#
# 135 ALA QB 136 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=2078,2079,2080,
igr2=2091,2092,
&end
#
# 135 ALA QB 139 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2078,2079,2080,
&end
#
# 27 TYR QB 135 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= 416, 417,
igr2=2078,2079,2080,
&end
#
# 27 TYR QE 135 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= 422, 427,
igr2=2078,2079,2080,
&end
#
# 135 ALA QB 28 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2078,2079,2080,
&end
#
# 28 LEU QQD 135 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= 442, 443, 444, 446, 447, 448,
igr2=2078,2079,2080,
&end
#
# 135 ALA QB 29 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=2078,2079,2080,
&end
#
# 136 GLU- HA 136 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2086,2084, 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=2086, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2088,2089,
&end
#
# 136 GLU- HA 136 GLU- QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2091,2092,
&end
#
# 137 THR HN 136 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2099,2086, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 136 GLU- HA 137 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2105,2106,2107,
&end
#
# 138 GLY HN 136 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2113,2086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 LYS+ HN 136 GLU- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=2120,2086, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 136 GLU- HN 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=2088,2089,
&end
#
# 136 GLU- HN 136 GLU- QG 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=2091,2092,
&end
#
# 136 GLU- HN 137 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 136 GLU- HN 137 THR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2084,2099, 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=2084, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2105,2106,2107,
&end
#
# 136 GLU- HN 138 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 136 GLU- HN 139 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2084,2120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LEU QQD 136 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 137 THR HN 136 GLU- QB 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=2088,2089,
&end
#
# 136 GLU- QB 137 THR 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=2088,2089,
igr2=2105,2106,2107,
&end
#
# 138 GLY HN 136 GLU- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2088,2089,
&end
#
# 137 THR HN 136 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2091,2092,
&end
#
# 137 THR QG2 136 GLU- 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=2105,2106,2107,
igr2=2091,2092,
&end
#
# 137 THR HA 137 THR HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2101,2103, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 THR HA 137 THR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2101,2099, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 THR HA 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=2105,2106,2107,
&end
#
# 137 THR HA 138 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2101,2113, 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=2120,2101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 137 THR HB 137 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2103,2099, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 137 THR HB 137 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2103, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2105,2106,2107,
&end
#
# 138 GLY HN 137 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2113,2103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 139 LYS+ HN 137 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2120,2103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 137 THR HB 139 LYS+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2103, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2124,2125,
&end
#
# 139 LYS+ QE 137 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2103, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2133,2134,
&end
#
# 137 THR HN 137 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2105,2106,2107,
&end
#
# 137 THR HN 138 GLY HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2099,2113, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 137 THR HN 138 GLY QA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2115,2116,
&end
#
# 137 THR HN 139 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=2099,2120, 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=2113, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2105,2106,2107,
&end
#
# 137 THR QG2 139 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2105,2106,2107,
&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=2133,2134,
igr2=2105,2106,2107,
&end
#
# 138 GLY HN 138 GLY QA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2115,2116,
&end
#
# 139 LYS+ HA 138 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=2122,2113, 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=2113,2120, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 TRP HH2 138 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 501,2113, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 139 LYS+ HN 138 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2115,2116,
&end
#
# 139 LYS+ QG 138 GLY QA 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=2127,2128,
igr2=2115,2116,
&end
#
# 139 LYS+ HN 139 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2120,2122, 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=2122, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2124,2125,
&end
#
# 139 LYS+ HA 139 LYS+ QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=2122, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2127,2128,
&end
#
# 139 LYS+ QB 139 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=2124,2125,
&end
#
# 139 LYS+ QE 139 LYS+ HN 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=2133,2134,
&end
#
# 139 LYS+ QG 139 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2120, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2127,2128,
&end
#
# 32 TRP HH2 139 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 501,2120, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 139 LYS+ QE 139 LYS+ 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=2133,2134,
igr2=2124,2125,
&end
#
# 139 LYS+ QB 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=2124,2125,
igr2=2127,2128,
&end
#
# 139 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=2124,2125,
igr2=1449,1450,
&end
#
# 139 LYS+ QE 139 LYS+ 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=2133,2134,
igr2=2127,2128,
&end
#
# 14 SER HN 14 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 218, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 SER HA 14 SER QB 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= 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 QE2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 285, 286,
&end
#
# 18 GLN QG 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= 280, 281,
&end
#
# 14 SER HA 44 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 218, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 SER HA 44 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 45 ASN HN 14 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 684, 218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 216, 227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 SER QB 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= 220, 221,
&end
#
# 14 SER QB 40 GLU- 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= 220, 221,
igr2= 623, 624,
&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
#
# 45 ASN QB 14 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= 688, 689,
igr2= 220, 221,
&end
#
# 15 CYS HN 15 CYS QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 231, 232,
&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
#
# 15 CYS HN 17 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 227, 262, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 15 CYS HN 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 227, 273, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG+ HN 15 CYS QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 231, 232,
&end
#
# 48 ALA QB 15 CYS 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= 730, 731, 732,
igr2= 231, 232,
&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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 242, 243,
&end
#
# 16 ARG+ QG 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= 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
#
# 19 MET HN 16 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 240, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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
#
# 19 MET QG 16 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 240, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 297, 298,
&end
#
# 16 ARG+ QB 16 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 242, 243,
&end
#
# 16 ARG+ QD 16 ARG+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 248, 249,
&end
#
# 16 ARG+ QG 16 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 245, 246,
&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 7.00
&rst
ixpk= 0, nxpk= 0, iat= 238, 273, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 16 ARG+ 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= 242, 243,
&end
#
# 16 ARG+ QB 82 CYS 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= 242, 243,
igr2=1239,1240,
&end
#
# 16 ARG+ QG 17 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 245, 246,
&end
#
# 17 SER HN 17 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 SER QB 17 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 266, 267,
&end
#
# 20 ALA HN 17 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 81 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 17 SER HG 37 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 584, 585, 586,
&end
#
# 17 SER 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= 266, 267,
&end
#
# 17 SER HN 18 GLN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 273, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLN QE2 17 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 948, 949,
&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 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= 266, 267,
&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 HA 18 GLN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 18 GLN HA 18 GLN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 277, 278,
&end
#
# 18 GLN HA 18 GLN QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 280, 281,
&end
#
# 18 GLN HA 19 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLN HA 20 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 275, 307, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 18 GLN HA 21 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 GLN HA 21 GLU- QG 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= 324, 325,
&end
#
# 22 GLY HN 18 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE QD1 18 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 905, 906, 907,
&end
#
# 62 GLN QE2 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= 948, 949,
&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 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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 297, 298,
&end
#
# 18 GLN HN 20 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, 307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE QD1 18 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 905, 906, 907,
&end
#
# 62 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= 948, 949,
&end
#
# 18 GLN QB 19 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 277, 278,
&end
#
# 18 GLN 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= 277, 278,
igr2= 905, 906, 907,
&end
#
# 59 ILE QG1 18 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= 902, 903,
igr2= 277, 278,
&end
#
# 18 GLN QB 62 GLN QE2 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= 277, 278,
igr2= 948, 949,
&end
#
# 18 GLN QE2 18 GLN 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= 285, 286,
igr2= 280, 281,
&end
#
# 18 GLN QE2 44 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= 285, 286,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 18 GLN QE2 63 THR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 285, 286,
&end
#
# 64 SER HA 18 GLN QE2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 285, 286,
&end
#
# 18 GLN QE2 64 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
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
#
# 44 LEU QQD 18 GLN 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= 674, 675, 676, 678, 679, 680,
igr2= 280, 281,
&end
#
# 18 GLN QG 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= 280, 281,
&end
#
# 19 MET HN 19 MET HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 292, 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
#
# 20 ALA HN 19 MET HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 307, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET HA 21 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLY HN 19 MET HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HN 19 MET HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 MET HA 52 MET HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 292, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 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= 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
#
# 19 MET HA 59 ILE QG2 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= 898, 899, 900,
&end
#
# 19 MET 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= 294, 295,
&end
#
# 19 MET HN 19 MET QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 290, 317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ALA QB 19 MET HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 730, 731, 732,
&end
#
# 19 MET QB 19 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= 294, 295,
igr2= 297, 298,
&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 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
#
# 52 MET QE 19 MET 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= 795, 796, 797,
igr2= 294, 295,
&end
#
# 19 MET QG 20 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 297, 298,
&end
#
# 19 MET QG 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 297, 298,
&end
#
# 19 MET QG 48 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= 297, 298,
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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 36, 23, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 2 GLU- HA 30 ASP- QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 463, 464,
&end
#
# 4 LYS+ HN 2 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ASN HN 2 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 25, 26,
&end
#
# 2 GLU- QG 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= 28, 29,
&end
#
# 33 LYS+ QD 2 GLU- 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= 520, 521,
igr2= 28, 29,
&end
#
# 20 ALA HN 20 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 307, 309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &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
#
# 21 GLU- HN 20 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 317, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 GLY HN 20 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HD1 20 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ALA HA 23 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 349, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 23 TRP HN 20 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ALA HA 23 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 343, 344,
&end
#
# 24 ALA HN 20 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 ALA HA 24 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 367, 368, 369,
&end
#
# 81 LEU QQD 20 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&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
#
# 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 311, 312, 313,
&end
#
# 20 ALA QB 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 311, 312, 313,
&end
#
# 8 PHE QB 20 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= 135, 136,
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- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 324, 325,
&end
#
# 22 GLY HN 21 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 24 ALA HN 21 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 21 GLU- HA 24 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 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
#
# 81 LEU QQD 21 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 21 GLU- QB 21 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 321, 322,
&end
#
# 21 GLU- HN 21 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 324, 325,
&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 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 334, 335,
&end
#
# 23 TRP HN 21 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 317, 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 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 898, 899, 900,
&end
#
# 62 GLN QE2 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= 948, 949,
&end
#
# 21 GLU- HN 81 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 21 GLU- QB 22 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 321, 322,
&end
#
# 21 GLU- QB 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= 321, 322,
&end
#
# 21 GLU- 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= 321, 322,
&end
#
# 62 GLN QE2 21 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= 948, 949,
igr2= 321, 322,
&end
#
# 21 GLU- QG 22 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 324, 325,
&end
#
# 25 LYS+ QE 21 GLU- 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= 386, 387,
igr2= 324, 325,
&end
#
# 34 VAL QQG 21 GLU- 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= 538, 539, 540, 542, 543, 544,
igr2= 324, 325,
&end
#
# 62 GLN QE2 21 GLU- 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= 948, 949,
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
#
# 24 ALA HN 22 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 MET QE 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= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 898, 899, 900,
&end
#
# 22 GLY HN 62 GLN QE2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 948, 949,
&end
#
# 23 TRP HN 22 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 334, 335,
&end
#
# 25 LYS+ HN 22 GLY QA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 334, 335,
&end
#
# 25 LYS+ QB 22 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= 377, 378,
igr2= 334, 335,
&end
#
# 25 LYS+ QD 22 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= 383, 384,
igr2= 334, 335,
&end
#
# 22 GLY QA 26 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 334, 335,
&end
#
# 22 GLY QA 57 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 863, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 334, 335,
&end
#
# 22 GLY QA 57 ILE HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 334, 335,
&end
#
# 22 GLY QA 57 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= 334, 335,
igr2= 867, 868, 869,
&end
#
# 59 ILE QD1 22 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= 905, 906, 907,
igr2= 334, 335,
&end
#
# 22 GLY QA 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= 334, 335,
igr2= 898, 899, 900,
&end
#
# 62 GLN QE2 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= 948, 949,
igr2= 334, 335,
&end
#
# 23 TRP HD1 23 TRP HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HN 23 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 339, 341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 TRP HA 23 TRP QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 343, 344,
&end
#
# 24 ALA HN 23 TRP HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 363, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HA 25 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 341, 373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN HA 23 TRP HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 397, 341, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 26 GLN HN 23 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN QB 23 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 399, 400,
&end
#
# 26 GLN QE2 23 TRP HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 407, 408,
&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
#
# 23 TRP HA 57 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 874, 875, 876,
&end
#
# 57 ILE QG2 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= 867, 868, 869,
&end
#
# 23 TRP HD1 23 TRP HE1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 347, 349, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 TRP HD1 23 TRP HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 347, 339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 TRP HD1 23 TRP QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 343, 344,
&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
#
# 23 TRP 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= 343, 344,
&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
#
# 23 TRP HE1 55 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 23 TRP HH2 55 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 23 TRP HN 23 TRP QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 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
#
# 26 GLN HN 23 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 339, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLN QE2 23 TRP HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 407, 408,
&end
#
# 52 MET QE 23 TRP HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 795, 796, 797,
&end
#
# 57 ILE QD1 23 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 874, 875, 876,
&end
#
# 57 ILE QG2 23 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 867, 868, 869,
&end
#
# 59 ILE QG2 23 TRP HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 898, 899, 900,
&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 55 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 352, 842, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 TRP HZ2 55 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 352, 838, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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 HZ2 57 ILE QD1 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= 874, 875, 876,
&end
#
# 23 TRP QB 24 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 343, 344,
&end
#
# 23 TRP QB 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= 343, 344,
igr2= 874, 875, 876,
&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
#
# 25 LYS+ HN 24 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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
#
# 26 GLN QE2 24 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 407, 408,
&end
#
# 27 TYR HN 24 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 412, 365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 TYR QB 24 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 416, 417,
&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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
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 7.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 412, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 24 ALA HN 28 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 363, 433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 25 LYS+ HN 24 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 367, 368, 369,
&end
#
# 28 LEU QQD 24 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= 442, 443, 444, 446, 447, 448,
igr2= 367, 368, 369,
&end
#
# 32 TRP HH2 24 ALA QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 367, 368, 369,
&end
#
# 32 TRP HZ3 24 ALA QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 367, 368, 369,
&end
#
# 24 ALA QB 34 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= 367, 368, 369,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 24 ALA QB 6 ILE QD1 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= 367, 368, 369,
igr2= 104, 105, 106,
&end
#
# 24 ALA QB 6 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= 367, 368, 369,
igr2= 97, 98, 99,
&end
#
# 79 VAL QQG 24 ALA QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=1192,1193,1194,1196,1197,1198,
igr2= 367, 368, 369,
&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+ HA 25 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 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 29 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 375, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LYS+ HA 34 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 375, 532, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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+ HN 25 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 377, 378,
&end
#
# 25 LYS+ QE 25 LYS+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 386, 387,
&end
#
# 25 LYS+ HN 25 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 380, 381,
&end
#
# 25 LYS+ HN 26 GLN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 373, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 LEU QQD 25 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 373, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 25 LYS+ HN 34 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 373, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 377, 378,
&end
#
# 34 VAL QQG 25 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= 538, 539, 540, 542, 543, 544,
igr2= 383, 384,
&end
#
# 25 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= 386, 387,
&end
#
# 25 LYS+ QG 26 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 380, 381,
&end
#
# 25 LYS+ QG 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= 380, 381,
&end
#
# 25 LYS+ QG 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= 380, 381,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 26 GLN HN 26 GLN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLN QB 26 GLN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 399, 400,
&end
#
# 26 GLN QE2 26 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 397, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 26 GLN HA 26 GLN QG 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= 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
#
# 26 GLN HA 57 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 874, 875, 876,
&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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
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
#
# 29 GLY HN 26 GLN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 452, 395, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 34 VAL QQG 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= 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 407, 408,
igr2= 399, 400,
&end
#
# 26 GLN QB 27 TYR HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 399, 400,
&end
#
# 26 GLN QB 27 TYR 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= 399, 400,
igr2= 416, 417,
&end
#
# 26 GLN QB 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= 399, 400,
igr2= 874, 875, 876,
&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 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 407, 408,
&end
#
# 26 GLN QE2 27 TYR 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= 407, 408,
igr2= 416, 417,
&end
#
# 26 GLN QE2 28 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 407, 408,
&end
#
# 55 VAL QQG 26 GLN QE2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 844, 845, 846, 848, 849, 850,
igr2= 407, 408,
&end
#
# 57 ILE HN 26 GLN QE2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 407, 408,
&end
#
# 26 GLN QE2 57 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= 407, 408,
igr2= 874, 875, 876,
&end
#
# 26 GLN QE2 57 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= 407, 408,
igr2= 871, 872,
&end
#
# 57 ILE QG2 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= 867, 868, 869,
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
#
# 27 TYR QE 26 GLN 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= 422, 427,
igr2= 402, 403,
&end
#
# 52 MET QE 26 GLN 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= 795, 796, 797,
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 HB 26 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 865, -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
#
# 57 ILE QG1 26 GLN 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= 871, 872,
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
#
# 27 TYR HN 28 LEU HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 412, 435, 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
#
# 27 TYR HN 29 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 412, 452, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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
#
# 27 TYR QE 27 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= 422, 427,
igr2= 416, 417,
&end
#
# 28 LEU HG 27 TYR QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 416, 417,
&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 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= 416, 417,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU HG 28 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 440, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HA 28 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 437, 438,
&end
#
# 28 LEU HA 28 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
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 HG 28 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 440, 433, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 LEU QQD 28 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QB 28 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 433, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 433, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 LEU HN 29 GLY QA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 454, 455,
&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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 437, 438,
&end
#
# 32 TRP HD1 28 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
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 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 437, 438,
igr2= 490, 491,
&end
#
# 29 GLY HN 28 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 29 GLY QA 28 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= 454, 455,
igr2= 442, 443, 444, 446, 447, 448,
&end
#
# 32 TRP HD1 28 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
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
#
# 32 TRP HH2 28 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 501, -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 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
#
# 28 LEU QQD 32 TRP 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= 442, 443, 444, 446, 447, 448,
igr2= 490, 491,
&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 HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QQD 6 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 442, 443, 444, 446, 447, 448,
&end
#
# 28 LEU QQD 6 ILE QD1 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= 104, 105, 106,
&end
#
# 28 LEU QQD 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= 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 5.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HD1 29 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 452, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 29 GLY HN 32 TRP HE1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 452, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HN 29 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP QB 29 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 490, 491,
&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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 31 GLU- QB 29 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= 475, 476,
igr2= 454, 455,
&end
#
# 32 TRP HD1 29 GLY QA 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= 454, 455,
&end
#
# 29 GLY QA 32 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 454, 455,
&end
#
# 32 TRP HN 29 GLY QA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 454, 455,
&end
#
# 3 ASN HA 3 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 38, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 40, 41,
&end
#
# 3 ASN HA 31 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 38, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ASN HA 33 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 38, 510, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 3 ASN HA 4 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 38, 50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ASN QB 3 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 40, 41,
&end
#
# 3 ASN QD2 3 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 45, 46,
&end
#
# 3 ASN HN 31 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 36, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 TRP HA 3 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, 36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 LYS+ HA 3 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 36, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 4 LYS+ HA 3 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 52, 36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ASN HN 4 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 36, 50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS+ QD 3 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 60, 61,
&end
#
# 76 ASP- QB 3 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 36, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1143,1144,
&end
#
# 3 ASN QD2 3 ASN 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= 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
#
# 31 GLU- QB 3 ASN 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= 475, 476,
igr2= 40, 41,
&end
#
# 32 TRP HA 3 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 40, 41,
&end
#
# 33 LYS+ QB 3 ASN 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= 514, 515,
igr2= 40, 41,
&end
#
# 4 LYS+ HN 3 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 40, 41,
&end
#
# 4 LYS+ QD 3 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= 60, 61,
igr2= 40, 41,
&end
#
# 5 ILE QG1 3 ASN 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= 82, 83,
igr2= 40, 41,
&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
#
# 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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 486, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 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
#
# 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
#
# 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 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
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
#
# 32 TRP HN 30 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 486, 459, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 TRP QB 30 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 490, 491,
&end
#
# 30 ASP- QB 31 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 463, 464,
&end
#
# 32 TRP HN 30 ASP- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
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- HA 31 GLU- QB 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= 475, 476,
&end
#
# 31 GLU- QG 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= 478, 479,
&end
#
# 32 TRP HD1 31 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 473, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 GLU- HN 31 GLU- QB 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= 475, 476,
&end
#
# 31 GLU- QG 31 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 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 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
#
# 32 TRP HD1 31 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 32 TRP HE1 31 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 32 TRP HN 31 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 478, 479,
&end
#
# 4 LYS+ QD 31 GLU- 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= 60, 61,
igr2= 478, 479,
&end
#
# 32 TRP HD1 32 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HA 32 TRP QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 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
#
# 32 TRP HA 33 LYS+ QG 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 517, 518,
&end
#
# 32 TRP HA 34 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 538, 539, 540, 542, 543, 544,
&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
#
# 32 TRP HA 4 LYS+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 54, 55,
&end
#
# 5 ILE HA 32 TRP HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 488, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 494, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 490, 491,
&end
#
# 32 TRP HE1 4 LYS+ QE 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= 63, 64,
&end
#
# 4 LYS+ QG 32 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 57, 58,
&end
#
# 77 LEU QQD 32 TRP HE1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 496, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 32 TRP HH2 6 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 104, 105, 106,
&end
#
# 32 TRP HH2 77 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 32 TRP 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= 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
#
# 32 TRP HZ2 4 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 499, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 60, 61,
&end
#
# 32 TRP HZ3 5 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 503, 72, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 TRP HZ3 6 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 503, 93, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 TRP HZ3 6 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 503, 95, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 TRP HZ3 6 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 503, 91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 TRP HZ3 6 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 104, 105, 106,
&end
#
# 32 TRP HZ3 7 TYR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 503, 110, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 TRP HZ3 76 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 503,1139, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 32 TRP HZ3 76 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1143,1144,
&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
#
# 32 TRP HZ3 77 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1155,1156,
&end
#
# 32 TRP QB 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= 490, 491,
&end
#
# 32 TRP QB 34 VAL HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 490, 491,
&end
#
# 32 TRP QB 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= 490, 491,
&end
#
# 32 TRP QB 34 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= 490, 491,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 32 TRP QB 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= 490, 491,
&end
#
# 32 TRP QB 6 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= 490, 491,
igr2= 97, 98, 99,
&end
#
# 33 LYS+ HN 33 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 510, 512, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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+ HA 33 LYS+ QD 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= 520, 521,
&end
#
# 33 LYS+ QE 33 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 512, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
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+ 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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
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
#
# 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
#
# 33 LYS+ HN 34 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 538, 539, 540, 542, 543, 544,
&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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 510, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
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
#
# 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+ QB 33 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= 514, 515,
igr2= 517, 518,
&end
#
# 33 LYS+ QB 34 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 514, 515,
&end
#
# 35 TYR QE 33 LYS+ 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= 558, 563,
igr2= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 514, 515,
&end
#
# 33 LYS+ QD 33 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= 520, 521,
igr2= 523, 524,
&end
#
# 34 VAL HN 33 LYS+ QD 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= 520, 521,
&end
#
# 33 LYS+ QG 33 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= 517, 518,
igr2= 523, 524,
&end
#
# 33 LYS+ QE 35 TYR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 523, 524,
&end
#
# 33 LYS+ QG 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= 517, 518,
&end
#
# 33 LYS+ QG 35 TYR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 517, 518,
&end
#
# 33 LYS+ QG 5 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 74, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 517, 518,
&end
#
# 33 LYS+ QG 5 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= 517, 518,
igr2= 82, 83,
&end
#
# 34 VAL HB 34 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 536, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 34 VAL HN 34 VAL HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 534, 74, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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
#
# 6 ILE HN 34 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 534, 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 HN 34 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 532, 536, 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
#
# 35 TYR HN 34 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 536, 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
#
# 34 VAL HN 35 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 532, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR QE 34 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 558, 563,
&end
#
# 34 VAL HN 6 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 97, 98, 99,
&end
#
# 34 VAL QQG 35 TYR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 538, 539, 540, 542, 543, 544,
&end
#
# 34 VAL QQG 35 TYR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
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 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= 538, 539, 540, 542, 543, 544,
igr2= 104, 105, 106,
&end
#
# 6 ILE QG1 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= 101, 102,
igr2= 538, 539, 540, 542, 543, 544,
&end
#
# 34 VAL QQG 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= 538, 539, 540, 542, 543, 544,
igr2= 97, 98, 99,
&end
#
# 35 TYR HN 35 TYR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 550, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 TYR HA 35 TYR QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 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 HA 6 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 550, 91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 35 TYR HA 8 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 550, 131, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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
#
# 5 ILE HA 35 TYR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 74, 548, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 6 ILE HN 35 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 548, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 TYR HN 6 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 97, 98, 99,
&end
#
# 35 TYR HN 7 TYR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 548, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR QB 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= 114, 115,
&end
#
# 71 ILE QG2 35 TYR HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 548, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
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
#
# 35 TYR QE 35 TYR 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= 558, 563,
igr2= 552, 553,
&end
#
# 36 SER HN 35 TYR QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 552, 553,
&end
#
# 35 TYR QB 7 TYR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 552, 553,
&end
#
# 35 TYR QB 71 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= 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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 552, 553,
&end
#
# 35 TYR QE 5 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= 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 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 558, 563,
&end
#
# 35 TYR QE 7 TYR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 558, 563,
&end
#
# 35 TYR QE 7 TYR 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= 558, 563,
igr2= 114, 115,
&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
#
# 35 TYR QE 72 LEU HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 558, 563,
&end
#
# 36 SER HN 36 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 569, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 36 SER QB 36 SER HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 573, 574,
&end
#
# 36 SER HA 37 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 571, 580, 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
#
# 7 TYR QE 36 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 120, 125,
&end
#
# 36 SER HA 8 PHE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 571, 131, 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
#
# 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 7.00
&rst
ixpk= 0, nxpk= 0, iat= 569, 580, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 7 TYR QE 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= 120, 125,
&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
#
# 8 PHE QB 36 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= 135, 136,
igr2= 573, 574,
&end
#
# 37 ALA HA 37 ALA HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 582, 580, 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- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 582, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ALA HA 65 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 582, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 ASP- QB 37 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 982, 983,
&end
#
# 68 ASP- QB 37 ALA HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 582, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1032,1033,
&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 5.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE QG1 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=1019,1020,
&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 9 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 580, 153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ALA HN 9 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 160, 161, 162, 164, 165, 166,
&end
#
# 38 GLY HN 37 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= 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
#
# 65 ASP- QB 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= 982, 983,
igr2= 584, 585, 586,
&end
#
# 66 ILE HA 37 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 584, 585, 586,
&end
#
# 67 ILE QG2 37 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=1015,1016,1017,
igr2= 584, 585, 586,
&end
#
# 68 ASP- HN 37 ALA QB 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= 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 592, 593,
&end
#
# 38 GLY HN 39 ILE QD1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 610, 611, 612,
&end
#
# 38 GLY HN 40 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 ALA QB 38 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 635, 636, 637,
&end
#
# 65 ASP- HN 38 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 978, 590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 38 GLY HN 66 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 590, 992, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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
#
# 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
#
# 38 GLY HN 9 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 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
#
# 40 GLU- HN 38 GLY QA 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= 592, 593,
&end
#
# 66 ILE QG1 38 GLY QA 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=1000,1001,
igr2= 592, 593,
&end
#
# 38 GLY QA 9 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 592, 593,
&end
#
# 38 GLY QA 9 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 592, 593,
&end
#
# 39 ILE HB 39 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 601, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE HN 39 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 597, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE HA 39 ILE QD1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 610, 611, 612,
&end
#
# 39 ILE HA 39 ILE QG1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 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
#
# 40 GLU- HN 39 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 599, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 ILE HA 67 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 599,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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
#
# 39 ILE HA 67 ILE QG1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1019,1020,
&end
#
# 67 ILE QG2 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=1015,1016,1017,
&end
#
# 39 ILE HN 39 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 597, 601, 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 607, 608,
&end
#
# 39 ILE QG2 39 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 603, 604, 605,
&end
#
# 40 GLU- HN 39 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 601, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 39 ILE HN 39 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 603, 604, 605,
&end
#
# 40 GLU- HN 39 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 616, 597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 ALA QB 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=1269,1270,1271,
&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 39 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= 610, 611, 612,
igr2= 603, 604, 605,
&end
#
# 39 ILE QD1 40 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 610, 611, 612,
&end
#
# 39 ILE QD1 85 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= 610, 611, 612,
igr2=1269,1270,1271,
&end
#
# 86 ALA HA 39 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 610, 611, 612,
&end
#
# 39 ILE QD1 88 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 610, 611, 612,
&end
#
# 39 ILE QD1 88 LYS+ 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= 610, 611, 612,
igr2=1301,1302,
&end
#
# 39 ILE QD1 88 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= 610, 611, 612,
igr2=1310,1311,
&end
#
# 89 CYS HA 39 ILE QD1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 610, 611, 612,
&end
#
# 39 ILE QD1 89 CYS HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 610, 611, 612,
&end
#
# 9 LEU HG 39 ILE QD1 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= 610, 611, 612,
&end
#
# 90 PRO QD 39 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=1331,1332,
igr2= 610, 611, 612,
&end
#
# 39 ILE QG1 40 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 607, 608,
&end
#
# 88 LYS+ QG 39 ILE QG1 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=1304,1305,
igr2= 607, 608,
&end
#
# 40 GLU- HA 39 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 603, 604, 605,
&end
#
# 39 ILE QG2 40 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 603, 604, 605,
&end
#
# 40 GLU- QB 39 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= 620, 621,
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
#
# 67 ILE HN 39 ILE QG2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 603, 604, 605,
&end
#
# 39 ILE QG2 88 LYS+ QE 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= 603, 604, 605,
igr2=1310,1311,
&end
#
# 4 LYS+ QB 4 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 52, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 54, 55,
&end
#
# 4 LYS+ HA 4 LYS+ QD 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= 60, 61,
&end
#
# 4 LYS+ HA 4 LYS+ QE 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 63, 64,
&end
#
# 4 LYS+ HA 4 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 57, 58,
&end
#
# 5 ILE HN 4 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 72, 52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 LYS+ HA 5 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 85, 86, 87,
&end
#
# 4 LYS+ HA 76 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 52,1139, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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 4 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 60, 61,
&end
#
# 4 LYS+ QG 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= 57, 58,
&end
#
# 4 LYS+ HN 5 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 50, 72, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 LYS+ QB 4 LYS+ 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= 54, 55,
igr2= 60, 61,
&end
#
# 4 LYS+ QB 4 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= 54, 55,
igr2= 63, 64,
&end
#
# 4 LYS+ QG 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= 57, 58,
igr2= 54, 55,
&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
#
# 76 ASP- QB 4 LYS+ 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=1143,1144,
igr2= 54, 55,
&end
#
# 4 LYS+ QE 4 LYS+ 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= 63, 64,
igr2= 60, 61,
&end
#
# 4 LYS+ QG 4 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= 57, 58,
igr2= 63, 64,
&end
#
# 4 LYS+ QE 6 ILE HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 63, 64,
&end
#
# 5 ILE HN 4 LYS+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 57, 58,
&end
#
# 40 GLU- HA 40 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 618, 616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 623, 624,
&end
#
# 41 ALA HN 40 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 631, 618, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 40 GLU- HA 66 ILE QD1 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=1003,1004,1005,
&end
#
# 66 ILE QG1 40 GLU- HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1000,1001,
&end
#
# 66 ILE QG2 40 GLU- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 618, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 996, 997, 998,
&end
#
# 40 GLU- HA 67 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 618,1009, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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- QG 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= 623, 624,
&end
#
# 40 GLU- HN 67 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1015,1016,1017,
&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
#
# 66 ILE QG1 40 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=1000,1001,
igr2= 620, 621,
&end
#
# 40 GLU- QG 41 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 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
#
# 42 HIS HN 41 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 641, 633, 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
#
# 64 SER HN 41 ALA HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 967, 633, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 41 ALA HA 66 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 633, 990, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 41 ALA HA 66 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 996, 997, 998,
&end
#
# 41 ALA QB 41 ALA HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 635, 636, 637,
&end
#
# 42 HIS HN 41 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 641, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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
#
# 42 HIS HN 41 ALA QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 635, 636, 637,
&end
#
# 41 ALA QB 43 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 635, 636, 637,
&end
#
# 43 GLY QA 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= 660, 661,
igr2= 635, 636, 637,
&end
#
# 41 ALA QB 64 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 635, 636, 637,
&end
#
# 41 ALA QB 64 SER 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= 635, 636, 637,
igr2= 971, 972,
&end
#
# 41 ALA QB 65 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 635, 636, 637,
&end
#
# 65 ASP- HN 41 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 635, 636, 637,
&end
#
# 41 ALA QB 65 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= 635, 636, 637,
igr2= 982, 983,
&end
#
# 66 ILE QG1 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=1000,1001,
igr2= 635, 636, 637,
&end
#
# 42 HIS HN 42 HIS QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 645, 646,
&end
#
# 42 HIS HN 43 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 641, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 HIS 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= 645, 646,
&end
#
# 43 GLY HN 43 GLY QA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 660, 661,
&end
#
# 46 PRO QD 43 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 699, 700,
&end
#
# 64 SER QB 43 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 971, 972,
&end
#
# 44 LEU HG 43 GLY QA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 660, 661,
&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
#
# 44 LEU QQD 43 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= 674, 675, 676, 678, 679, 680,
igr2= 660, 661,
&end
#
# 43 GLY QA 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= 660, 661,
&end
#
# 43 GLY QA 64 SER 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= 660, 661,
igr2= 971, 972,
&end
#
# 44 LEU HG 44 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 672, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 LEU HN 44 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HA 44 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 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 HA 49 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 62 GLN QE2 44 LEU HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 667, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 948, 949,
&end
#
# 44 LEU HN 44 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 665, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HG 44 LEU QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
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 5.50
&rst
ixpk= 0, nxpk= 0, iat= 672, 684, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 LEU HG 46 PRO HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 672, 708, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 49 VAL QQG 44 LEU HG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 742, 743, 744, 746, 747, 748,
&end
#
# 60 SER HA 44 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 913, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 44 LEU HN 44 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 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
#
# 64 SER HN 44 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 967, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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
#
# 44 LEU 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= 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
#
# 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
#
# 44 LEU QQD 48 ALA QB 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= 674, 675, 676, 678, 679, 680,
igr2= 730, 731, 732,
&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
#
# 49 VAL QQG 44 LEU QQD 1.8 3.50
&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= 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 60 SER 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= 674, 675, 676, 678, 679, 680,
igr2= 915, 916,
&end
#
# 44 LEU QQD 61 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 62 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 940, 941,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 62 GLN QE2 44 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= 948, 949,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 44 LEU QQD 63 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 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 63 THR 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= 674, 675, 676, 678, 679, 680,
igr2= 959, 960, 961,
&end
#
# 44 LEU QQD 64 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 674, 675, 676, 678, 679, 680,
&end
#
# 64 SER QB 44 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= 971, 972,
igr2= 674, 675, 676, 678, 679, 680,
&end
#
# 45 ASN HN 45 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 684, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 ASN HA 45 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 702, 703,
&end
#
# 45 ASN HA 47 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 686, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 688, 689,
&end
#
# 45 ASN QD2 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= 693, 694,
&end
#
# 45 ASN HN 47 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 684, 712, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 45 ASN HN 48 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 684, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ALA QB 45 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 730, 731, 732,
&end
#
# 49 VAL QQG 45 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 742, 743, 744, 746, 747, 748,
&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
#
# 48 ALA QB 45 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= 730, 731, 732,
igr2= 688, 689,
&end
#
# 45 ASN QB 49 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 688, 689,
&end
#
# 46 PRO QD 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= 699, 700,
igr2= 693, 694,
&end
#
# 47 ASN QB 45 ASN QD2 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= 716, 717,
igr2= 693, 694,
&end
#
# 45 ASN QD2 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= 693, 694,
igr2= 721, 722,
&end
#
# 45 ASN QD2 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= 693, 694,
&end
#
# 45 ASN QD2 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= 693, 694,
igr2= 730, 731, 732,
&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 QD 46 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 712, 708, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ALA HN 46 PRO HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 726, 708, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ALA QB 46 PRO HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 730, 731, 732,
&end
#
# 46 PRO HA 49 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 708, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &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
#
# 50 LYS+ QG 46 PRO HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 759, 760,
&end
#
# 51 ALA HN 46 PRO HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 774, 708, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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
#
# 47 ASN HN 46 PRO 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= 705, 706,
&end
#
# 46 PRO QB 49 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= 705, 706,
igr2= 742, 743, 744, 746, 747, 748,
&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
#
# 47 ASN HN 46 PRO QD 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= 699, 700,
&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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 712, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
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 HA 47 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 716, 717,
&end
#
# 47 ASN QD2 47 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 721, 722,
&end
#
# 47 ASN HA 48 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 714, 726, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 47 ASN HA 49 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 714, 736, 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
#
# 47 ASN HA 50 LYS+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 756, 757,
&end
#
# 47 ASN HA 50 LYS+ QD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 762, 763,
&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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
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
#
# 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
#
# 49 VAL QQG 47 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 742, 743, 744, 746, 747, 748,
&end
#
# 47 ASN QD2 47 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= 721, 722,
igr2= 716, 717,
&end
#
# 48 ALA HN 47 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 716, 717,
&end
#
# 47 ASN QB 50 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= 716, 717,
igr2= 756, 757,
&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
#
# 47 ASN QD2 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= 721, 722,
&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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 VAL QQG 48 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 742, 743, 744, 746, 747, 748,
&end
#
# 59 ILE QD1 48 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 905, 906, 907,
&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 QQG 48 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= 742, 743, 744, 746, 747, 748,
igr2= 730, 731, 732,
&end
#
# 49 VAL HB 49 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 740, 738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 752, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET HN 49 VAL HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 784, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET QB 49 VAL HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 788, 789,
&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 QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 902, 903,
&end
#
# 49 VAL HA 59 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 898, 899, 900,
&end
#
# 49 VAL HA 60 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 913, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 VAL HA 60 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 738, 911, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 752, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 VAL HB 51 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 740, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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+ HN 49 VAL HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 752, 736, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 VAL HN 51 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 736, 774, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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
#
# 49 VAL HN 59 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 905, 906, 907,
&end
#
# 59 ILE QG1 49 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 902, 903,
&end
#
# 50 LYS+ HA 49 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 49 VAL QQG 50 LYS+ 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= 742, 743, 744, 746, 747, 748,
igr2= 756, 757,
&end
#
# 49 VAL QQG 53 LYS+ 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= 742, 743, 744, 746, 747, 748,
igr2= 805, 806,
&end
#
# 53 LYS+ QD 49 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= 811, 812,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 58 ASP- HA 49 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 49 VAL QQG 59 ILE HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 742, 743, 744, 746, 747, 748,
&end
#
# 49 VAL QQG 59 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= 742, 743, 744, 746, 747, 748,
igr2= 905, 906, 907,
&end
#
# 59 ILE QG1 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= 902, 903,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 60 SER HN 49 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 742, 743, 744, 746, 747, 748,
&end
#
# 49 VAL QQG 60 SER 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= 742, 743, 744, 746, 747, 748,
igr2= 915, 916,
&end
#
# 49 VAL QQG 61 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1= 742, 743, 744, 746, 747, 748,
&end
#
# 49 VAL QQG 62 GLN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 76, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE HA 5 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 74, 72, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 ILE HA 5 ILE QD1 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= 85, 86, 87,
&end
#
# 5 ILE HA 5 ILE QG1 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= 82, 83,
&end
#
# 5 ILE HA 5 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 97, 98, 99,
&end
#
# 5 ILE HA 75 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 74,1131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HA 76 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 74,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HN 5 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 72, 76, 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
#
# 6 ILE HN 5 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HB 74 ASN QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1119,1120,
&end
#
# 5 ILE HB 75 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 76,1131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 ALA HN 5 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1129, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HB 75 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=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
#
# 77 LEU HN 5 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1151, 76, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE QD1 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= 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
#
# 6 ILE HN 5 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 72, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HN 75 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 72,1131, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ALA QB 5 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 72, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
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
#
# 5 ILE HN 76 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=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
#
# 5 ILE QG1 5 ILE QD1 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= 82, 83,
igr2= 85, 86, 87,
&end
#
# 6 ILE HN 5 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 85, 86, 87,
&end
#
# 71 ILE HA 5 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= 85, 86, 87,
&end
#
# 71 ILE QG2 5 ILE QD1 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=1069,1070,1071,
igr2= 85, 86, 87,
&end
#
# 74 ASN HA 5 ILE QD1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1117, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 85, 86, 87,
&end
#
# 74 ASN QB 5 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=1119,1120,
igr2= 85, 86, 87,
&end
#
# 74 ASN QD2 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=1124,1125,
igr2= 85, 86, 87,
&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 4.50
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 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
#
# 75 ALA HA 5 ILE QG1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 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 HA 5 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 78, 79, 80,
&end
#
# 6 ILE HN 5 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
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 QD1 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= 78, 79, 80,
igr2=1076,1077,1078,
&end
#
# 71 ILE QG1 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=1073,1074,
igr2= 78, 79, 80,
&end
#
# 71 ILE QG2 5 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=1069,1070,1071,
igr2= 78, 79, 80,
&end
#
# 74 ASN QD2 5 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= 78, 79, 80,
&end
#
# 75 ALA HA 5 ILE QG2 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= 78, 79, 80,
&end
#
# 75 ALA HN 5 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 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
#
# 77 LEU HN 5 ILE QG2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 78, 79, 80,
&end
#
# 50 LYS+ HN 50 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 752, 754, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LYS+ HA 50 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 756, 757,
&end
#
# 50 LYS+ HA 50 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 762, 763,
&end
#
# 50 LYS+ QE 50 LYS+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 754, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 765, 766,
&end
#
# 50 LYS+ HA 50 LYS+ QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 759, 760,
&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+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 805, 806,
&end
#
# 50 LYS+ HA 53 LYS+ QD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
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+ HN 50 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 756, 757,
&end
#
# 50 LYS+ QD 50 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 762, 763,
&end
#
# 50 LYS+ HN 50 LYS+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 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+ QD 50 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= 762, 763,
igr2= 756, 757,
&end
#
# 51 ALA HN 50 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 756, 757,
&end
#
# 50 LYS+ QB 51 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= 756, 757,
igr2= 778, 779, 780,
&end
#
# 52 MET HN 50 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 756, 757,
&end
#
# 52 MET QG 50 LYS+ 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= 791, 792,
igr2= 756, 757,
&end
#
# 54 GLU- HA 50 LYS+ QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 756, 757,
&end
#
# 50 LYS+ QD 50 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= 762, 763,
igr2= 759, 760,
&end
#
# 50 LYS+ QD 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= 762, 763,
&end
#
# 54 GLU- QB 50 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= 827, 828,
igr2= 762, 763,
&end
#
# 54 GLU- QG 50 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= 830, 831,
igr2= 762, 763,
&end
#
# 50 LYS+ QG 51 ALA HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 759, 760,
&end
#
# 50 LYS+ QG 51 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 759, 760,
&end
#
# 54 GLU- QB 50 LYS+ 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= 827, 828,
igr2= 759, 760,
&end
#
# 54 GLU- QG 50 LYS+ 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= 830, 831,
igr2= 759, 760,
&end
#
# 54 GLU- QB 51 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 827, 828,
&end
#
# 51 ALA HA 55 VAL QQG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 844, 845, 846, 848, 849, 850,
&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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
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
#
# 59 ILE QD1 51 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 905, 906, 907,
&end
#
# 51 ALA QB 52 MET HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 778, 779, 780,
&end
#
# 52 MET QB 51 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= 788, 789,
igr2= 778, 779, 780,
&end
#
# 55 VAL QQG 51 ALA QB 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= 844, 845, 846, 848, 849, 850,
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 QB 52 MET HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 788, 789,
&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 HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 842, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 VAL HN 52 MET HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 52 MET HA 55 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
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 HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 786, 865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 QG 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= 791, 792,
&end
#
# 52 MET HN 53 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 784, 801, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 ILE QG2 52 MET HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 867, 868, 869,
&end
#
# 59 ILE HN 52 MET HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 892, 784, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 59 ILE QD1 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= 905, 906, 907,
&end
#
# 52 MET HN 59 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 898, 899, 900,
&end
#
# 52 MET QG 52 MET 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= 791, 792,
igr2= 788, 789,
&end
#
# 53 LYS+ HN 52 MET QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 788, 789,
&end
#
# 52 MET QB 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= 788, 789,
&end
#
# 52 MET QB 57 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
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 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= 788, 789,
igr2= 874, 875, 876,
&end
#
# 52 MET QB 57 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= 867, 868, 869,
&end
#
# 52 MET 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= 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 QE 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= 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 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 791, 792,
igr2= 905, 906, 907,
&end
#
# 52 MET QG 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= 791, 792,
igr2= 898, 899, 900,
&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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
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
#
# 55 VAL HN 53 LYS+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 803, 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- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 803, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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+ 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
#
# 53 LYS+ HN 54 GLU- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 801, 823, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &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
#
# 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 801, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HB 53 LYS+ HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 896, 801, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 53 LYS+ HN 59 ILE QG2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 898, 899, 900,
&end
#
# 53 LYS+ QB 53 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= 805, 806,
igr2= 811, 812,
&end
#
# 53 LYS+ QB 53 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= 805, 806,
igr2= 808, 809,
&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+ QB 55 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 805, 806,
&end
#
# 57 ILE HN 53 LYS+ QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 805, 806,
&end
#
# 53 LYS+ QG 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= 808, 809,
&end
#
# 53 LYS+ QG 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= 808, 809,
&end
#
# 58 ASP- QB 53 LYS+ 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= 884, 885,
igr2= 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
#
# 55 VAL QQG 54 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 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
#
# 56 GLY QA 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= 856, 857,
&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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 823, 838, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 VAL QQG 54 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 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
#
# 54 GLU- QB 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= 827, 828,
&end
#
# 55 VAL HN 54 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 840, 842, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 QQG 55 VAL HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 55 VAL HA 56 GLY HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 840, 854, 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 838, 842, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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
#
# 55 VAL HB 56 GLY HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 842, 854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 VAL HB 57 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 842, 861, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ILE QD1 55 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 874, 875, 876,
&end
#
# 55 VAL QQG 55 VAL HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 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
#
# 57 ILE HB 55 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 865, 838, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 844, 845, 846, 848, 849, 850,
&end
#
# 56 GLY QA 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= 856, 857,
igr2= 844, 845, 846, 848, 849, 850,
&end
#
# 55 VAL QQG 57 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
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
#
# 57 ILE QG2 55 VAL QQG 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= 867, 868, 869,
igr2= 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 HA 56 GLY HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 863, 854, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 ILE QD1 56 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 874, 875, 876,
&end
#
# 57 ILE QG1 56 GLY HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 871, 872,
&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
#
# 56 GLY QA 58 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 856, 857,
&end
#
# 57 ILE HA 57 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 863, 865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 874, 875, 876,
&end
#
# 57 ILE HA 57 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 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
#
# 58 ASP- HN 57 ILE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 880, 863, 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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 874, 875, 876,
&end
#
# 57 ILE QG1 57 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 865, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 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 HB 58 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 865, 880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE HB 57 ILE HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 896, 865, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 57 ILE HB 59 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 898, 899, 900,
&end
#
# 57 ILE HN 57 ILE QD1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 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 QG2 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= 867, 868, 869,
&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 QD1 59 ILE QG2 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= 874, 875, 876,
igr2= 898, 899, 900,
&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
#
# 58 ASP- HN 57 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 867, 868, 869,
&end
#
# 57 ILE QG2 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= 867, 868, 869,
&end
#
# 59 ILE HB 57 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 867, 868, 869,
&end
#
# 59 ILE HN 57 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 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
#
# 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
#
# 58 ASP- HA 60 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 911, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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- QB 58 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 884, 885,
&end
#
# 58 ASP- HN 59 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 880, 892, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 ILE QG2 58 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 898, 899, 900,
&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
#
# 58 ASP- QB 62 GLN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 894, 892, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 59 ILE QD1 59 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 898, 899, 900,
&end
#
# 60 SER HN 59 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 911, 894, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 7.00
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 931, 932,
&end
#
# 62 GLN HA 59 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 938, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 HA 62 GLN QE2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 948, 949,
&end
#
# 59 ILE HA 62 GLN QG 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= 943, 944,
&end
#
# 59 ILE HB 59 ILE QD1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 905, 906, 907,
&end
#
# 59 ILE QG1 59 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 902, 903,
&end
#
# 62 GLN QE2 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= 948, 949,
&end
#
# 59 ILE HN 59 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 898, 899, 900,
&end
#
# 59 ILE HN 60 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 892, 913, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 ASN HN 59 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 922, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE QG1 59 ILE QD1 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= 902, 903,
igr2= 905, 906, 907,
&end
#
# 59 ILE QD1 60 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 905, 906, 907,
&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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 905, 906, 907,
&end
#
# 62 GLN QE2 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= 948, 949,
igr2= 905, 906, 907,
&end
#
# 59 ILE QG1 60 SER HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 913, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 903,
&end
#
# 59 ILE QG1 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= 902, 903,
&end
#
# 62 GLN QE2 59 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= 948, 949,
igr2= 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 HN 6 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE HA 6 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 104, 105, 106,
&end
#
# 6 ILE HA 6 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 101, 102,
&end
#
# 6 ILE HA 6 ILE QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 97, 98, 99,
&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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
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
#
# 77 LEU HN 6 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1151, 93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 ILE HA 77 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1155,1156,
&end
#
# 77 LEU QQD 6 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 6 ILE HN 6 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ILE HB 6 ILE QD1 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 104, 105, 106,
&end
#
# 6 ILE QG1 6 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 101, 102,
&end
#
# 6 ILE HB 6 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 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 QQD 6 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 95, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1160,1161,1162,1164,1165,1166,
&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 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
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
#
# 6 ILE HN 7 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 91, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ALA QB 6 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 91, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1133,1134,1135,
&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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 104, 105, 106,
igr2= 97, 98, 99,
&end
#
# 6 ILE QD1 7 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 104, 105, 106,
&end
#
# 77 LEU HG 6 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 104, 105, 106,
&end
#
# 6 ILE QD1 77 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 104, 105, 106,
&end
#
# 6 ILE QD1 77 LEU 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= 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
#
# 79 VAL QQG 6 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=1192,1193,1194,1196,1197,1198,
igr2= 104, 105, 106,
&end
#
# 6 ILE QD1 8 PHE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 131, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1= 104, 105, 106,
&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 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1151, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 101, 102,
&end
#
# 6 ILE QG1 77 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= 101, 102,
igr2=1155,1156,
&end
#
# 6 ILE QG1 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= 101, 102,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 6 ILE QG1 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= 101, 102,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 7 TYR HN 6 ILE QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 97, 98, 99,
&end
#
# 79 VAL QQG 6 ILE 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=1192,1193,1194,1196,1197,1198,
igr2= 97, 98, 99,
&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
#
# 62 GLN HN 60 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 936, 913, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 SER QB 60 SER HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
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 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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 922, 924, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &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 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 2.80
&rst
ixpk= 0, nxpk= 0, iat= 922, 936, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 ASN HN 62 GLN QG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 943, 944,
&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
#
# 62 GLN HN 62 GLN HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 936, 938, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLN HA 62 GLN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 940, 941,
&end
#
# 62 GLN QE2 62 GLN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 948, 949,
&end
#
# 62 GLN HA 62 GLN QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 943, 944,
&end
#
# 62 GLN HA 63 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 938, 953, 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 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 940, 941,
&end
#
# 62 GLN QE2 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= 948, 949,
&end
#
# 62 GLN HN 62 GLN QG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 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 HN 63 THR QG2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 959, 960, 961,
&end
#
# 62 GLN QE2 62 GLN 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= 948, 949,
igr2= 940, 941,
&end
#
# 62 GLN QB 63 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 940, 941,
&end
#
# 62 GLN QE2 62 GLN 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= 948, 949,
igr2= 943, 944,
&end
#
# 62 GLN QE2 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= 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 HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 959, 960, 961,
&end
#
# 63 THR HA 64 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 955, 967, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 THR HB 63 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 957, 953, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 3.50
&rst
ixpk= 0, nxpk= 0, iat= 967, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 63 THR QG2 63 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 959, 960, 961,
&end
#
# 63 THR QG2 64 SER HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 959, 960, 961,
&end
#
# 64 SER HA 65 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 969, 978, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 SER HN 64 SER QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 971, 972,
&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- QB 65 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 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- HA 67 ILE HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 980,1011, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 67 ILE HN 65 ASP- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1009, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 68 ASP- QB 65 ASP- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1032,1033,
&end
#
# 65 ASP- HN 65 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 982, 983,
&end
#
# 65 ASP- HN 66 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 978, 990, 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
#
# 68 ASP- HA 65 ASP- QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 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 HA 66 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1003,1004,1005,
&end
#
# 66 ILE HA 66 ILE QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1000,1001,
&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
#
# 66 ILE HA 67 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 992,1009, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 66 ILE HA 67 ILE QG1 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1019,1020,
&end
#
# 67 ILE QG2 66 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1015,1016,1017,
&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
#
# 67 ILE HB 66 ILE HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1013, 994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HN 66 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1009, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 ILE QG2 66 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1015,1016,1017,
&end
#
# 66 ILE QG1 66 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1000,1001,
&end
#
# 66 ILE QG2 66 ILE HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 996, 997, 998,
&end
#
# 67 ILE HA 66 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1011, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HN 66 ILE HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1009, 990, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 66 ILE QG1 66 ILE QD1 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=1000,1001,
igr2=1003,1004,1005,
&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 QG1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1000,1001,
&end
#
# 66 ILE QG1 67 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=1000,1001,
igr2=1015,1016,1017,
&end
#
# 67 ILE HN 66 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 996, 997, 998,
&end
#
# 67 ILE HA 67 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1011,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 QG1 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=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 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 HB 88 LYS+ QE 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1310,1311,
&end
#
# 9 LEU HG 67 ILE HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 158,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 67 ILE HN 67 ILE QG1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1019,1020,
&end
#
# 67 ILE HN 67 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=1015,1016,1017,
&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
#
# 67 ILE QG2 67 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=1015,1016,1017,
igr2=1022,1023,1024,
&end
#
# 67 ILE QD1 92 THR QG2 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr1=1022,1023,1024,
igr2=1367,1368,1369,
&end
#
# 68 ASP- HN 67 ILE QG1 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1019,1020,
&end
#
# 67 ILE QG1 71 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1019,1020,
&end
#
# 78 VAL QQG 67 ILE QG1 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=1176,1177,1178,1180,1181,1182,
igr2=1019,1020,
&end
#
# 88 LYS+ QG 67 ILE QG1 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=1304,1305,
igr2=1019,1020,
&end
#
# 9 LEU HG 67 ILE QG1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1019,1020,
&end
#
# 68 ASP- HN 67 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1015,1016,1017,
&end
#
# 7 TYR QE 67 ILE QG2 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= 120, 125,
igr2=1015,1016,1017,
&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
#
# 90 PRO QD 67 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=1331,1332,
igr2=1015,1016,1017,
&end
#
# 68 ASP- HA 68 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 68 ASP- HA 68 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1032,1033,
&end
#
# 68 ASP- HA 69 SER HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1030,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 ASP- HA 70 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1030,1051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 3.50
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1032,1033,
&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
#
# 68 ASP- HN 70 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1028,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ILE QD1 68 ASP- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1076,1077,1078,
&end
#
# 68 ASP- 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=1032,1033,
&end
#
# 71 ILE HA 68 ASP- QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1032,1033,
&end
#
# 68 ASP- QB 71 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
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
#
# 68 ASP- QB 71 ILE QG1 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=1032,1033,
igr2=1073,1074,
&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
#
# 69 SER HN 69 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1040,1042, 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
#
# 69 SER HA 72 LEU QB 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=1086,1087,
&end
#
# 69 SER HA 72 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1091,1092,1093,1095,1096,1097,
&end
#
# 73 ASN HN 69 SER HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1042, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 69 SER HA 73 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
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
#
# 69 SER HN 70 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1040,1051, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 LEU QB 69 SER HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1086,1087,
&end
#
# 70 ASP- HN 69 SER QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1044,1045,
&end
#
# 69 SER QB 71 ILE HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1044,1045,
&end
#
# 72 LEU QQD 69 SER 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=1091,1092,1093,1095,1096,1097,
igr2=1044,1045,
&end
#
# 69 SER QB 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=1044,1045,
&end
#
# 73 ASN QD2 69 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=1110,1111,
igr2=1044,1045,
&end
#
# 69 SER QB 90 PRO HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1044,1045,
&end
#
# 69 SER QB 90 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=1044,1045,
igr2=1334,1335,
&end
#
# 7 TYR HN 7 TYR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 110, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 7 TYR HA 7 TYR QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 114, 115,
&end
#
# 71 ILE QG2 7 TYR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&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 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
#
# 7 TYR HN 75 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1133,1134,1135,
&end
#
# 77 LEU HG 7 TYR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1158, 110, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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
#
# 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
#
# 8 PHE HN 7 TYR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 131, 110, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ILE QG2 7 TYR 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=1069,1070,1071,
igr2= 114, 115,
&end
#
# 72 LEU QB 7 TYR 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=1086,1087,
igr2= 114, 115,
&end
#
# 7 TYR QB 72 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= 114, 115,
igr2=1091,1092,1093,1095,1096,1097,
&end
#
# 75 ALA QB 7 TYR 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=1133,1134,1135,
igr2= 114, 115,
&end
#
# 7 TYR QB 78 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= 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 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= 114, 115,
igr2=1367,1368,1369,
&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 73 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 120, 125,
&end
#
# 7 TYR 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= 120, 125,
&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
#
# 71 ILE HN 70 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1063,1053, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 LEU HN 70 ASP- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 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=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- HN 70 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=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
#
# 71 ILE HN 70 ASP- HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1063,1051, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 ILE QD1 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=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
#
# 73 ASN HN 70 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ASP- HN 73 ASN QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1105,1106,
&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 QG1 70 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=1073,1074,
igr2=1055,1056,
&end
#
# 70 ASP- QB 72 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1055,1056,
&end
#
# 71 ILE HA 71 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1067, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ILE HN 71 ILE HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1063,1065, 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 2.80
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1073,1074,
&end
#
# 71 ILE HA 71 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1069,1070,1071,
&end
#
# 72 LEU HN 71 ILE HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASN HN 71 ILE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ILE HA 74 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ILE HA 74 ASN QB 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=1119,1120,
&end
#
# 71 ILE HA 74 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1124,1125,
&end
#
# 71 ILE HA 75 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1065,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 2.80
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1076,1077,1078,
&end
#
# 71 ILE QG1 71 ILE HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1073,1074,
&end
#
# 71 ILE HB 71 ILE QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1069,1070,1071,
&end
#
# 72 LEU HN 71 ILE HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1067, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 71 ILE HN 71 ILE QD1 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1076,1077,1078,
&end
#
# 71 ILE HN 71 ILE QG1 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=1073,1074,
&end
#
# 71 ILE HN 71 ILE QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1069,1070,1071,
&end
#
# 72 LEU HA 71 ILE HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1084,1063, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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 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 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1076,1077,1078,
&end
#
# 74 ASN QD2 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=1124,1125,
igr2=1076,1077,1078,
&end
#
# 72 LEU HN 71 ILE QG1 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=1073,1074,
&end
#
# 71 ILE QG1 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=1073,1074,
igr2=1133,1134,1135,
&end
#
# 71 ILE QG2 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=1069,1070,1071,
&end
#
# 71 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=1069,1070,1071,
&end
#
# 72 LEU QQD 71 ILE 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=1091,1092,1093,1095,1096,1097,
igr2=1069,1070,1071,
&end
#
# 71 ILE QG2 74 ASN HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 71 ILE QG2 74 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=1069,1070,1071,
igr2=1119,1120,
&end
#
# 74 ASN QD2 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=1124,1125,
igr2=1069,1070,1071,
&end
#
# 71 ILE QG2 75 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1131, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1069,1070,1071,
&end
#
# 71 ILE QG2 75 ALA HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1069,1070,1071,
&end
#
# 71 ILE QG2 75 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=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 2.80
&rst
ixpk= 0, nxpk= 0, iat=1082,1084, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &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 72 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1091,1092,1093,1095,1096,1097,
&end
#
# 73 ASN HN 72 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 73 ASN QD2 72 LEU HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1110,1111,
&end
#
# 74 ASN HN 72 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ALA HN 72 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1129,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 LEU HA 75 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1133,1134,1135,
&end
#
# 72 LEU HA 78 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 72 LEU QQD 72 LEU HG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1091,1092,1093,1095,1096,1097,
&end
#
# 72 LEU HG 73 ASN QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1105,1106,
&end
#
# 72 LEU HG 92 THR QG2 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1367,1368,1369,
&end
#
# 72 LEU QB 72 LEU HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1086,1087,
&end
#
# 72 LEU HN 72 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1091,1092,1093,1095,1096,1097,
&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
#
# 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 QQD 72 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=1091,1092,1093,1095,1096,1097,
igr2=1086,1087,
&end
#
# 73 ASN HN 72 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1086,1087,
&end
#
# 72 LEU QB 78 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=1086,1087,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 92 THR 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=1367,1368,1369,
igr2=1086,1087,
&end
#
# 73 ASN QD2 72 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=1110,1111,
igr2=1091,1092,1093,1095,1096,1097,
&end
#
# 9 LEU HG 72 LEU QQD 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1091,1092,1093,1095,1096,1097,
&end
#
# 72 LEU QQD 90 PRO HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1091,1092,1093,1095,1096,1097,
&end
#
# 72 LEU QQD 90 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=1091,1092,1093,1095,1096,1097,
igr2=1337,1338,
&end
#
# 72 LEU QQD 90 PRO 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=1091,1092,1093,1095,1096,1097,
igr2=1334,1335,
&end
#
# 92 THR HA 72 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1091,1092,1093,1095,1096,1097,
&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 HA 73 ASN QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1105,1106,
&end
#
# 73 ASN QD2 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=1110,1111,
&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
#
# 75 ALA HN 73 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1129,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 THR QG2 73 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1103, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1367,1368,1369,
&end
#
# 96 VAL HB 73 ASN HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1424,1103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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=1426,1427,1428,1430,1431,1432,
&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 7.00
&rst
ixpk= 0, nxpk= 0, iat=1117,1101, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 73 ASN HN 74 ASN HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1101,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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 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 QD2 73 ASN 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=1124,1125,
igr2=1105,1106,
&end
#
# 73 ASN QD2 75 ALA HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1110,1111,
&end
#
# 74 ASN HN 74 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1117, 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
#
# 75 ALA HN 74 ASN HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1129,1117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 ASN HN 74 ASN QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1119,1120,
&end
#
# 74 ASN QD2 74 ASN HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1124,1125,
&end
#
# 74 ASN HN 75 ALA HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1115,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 ALA HN 74 ASN HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1129,1115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 96 VAL QQG 74 ASN HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1426,1427,1428,1430,1431,1432,
&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
#
# 75 ALA HN 74 ASN QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1119,1120,
&end
#
# 75 ALA HN 74 ASN QD2 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1124,1125,
&end
#
# 75 ALA HN 75 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1129,1131, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &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 4.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 5.50
&rst
ixpk= 0, nxpk= 0, iat=1129,1139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ALA HN 77 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1129,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ALA HN 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&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=1426,1427,1428,1430,1431,1432,
&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 HA 75 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
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
#
# 77 LEU QQD 75 ALA QB 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=1160,1161,1162,1164,1165,1166,
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
#
# 96 VAL HA 75 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1133,1134,1135,
&end
#
# 96 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=1426,1427,1428,1430,1431,1432,
igr2=1133,1134,1135,
&end
#
# 76 ASP- HN 76 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
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 QQD 76 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1160,1161,1162,1164,1165,1166,
&end
#
# 76 ASP- 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=1143,1144,
&end
#
# 77 LEU QB 76 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=1155,1156,
igr2=1143,1144,
&end
#
# 76 ASP- QB 97 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=1143,1144,
igr2=1449,1450,
&end
#
# 77 LEU HG 77 LEU HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1153, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HA 77 LEU HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &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
#
# 78 VAL HN 77 LEU HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1170,1153, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 LEU HA 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 77 LEU HA 97 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1153,1436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HG 77 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1158,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 LEU HG 77 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1155,1156,
&end
#
# 77 LEU HG 77 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=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 3.50
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 96 VAL HA 77 LEU HG 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1422,1158, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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
#
# 97 LYS+ QD 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=1446,1447,
&end
#
# 77 LEU QB 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=1155,1156,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QB 78 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1155,1156,
&end
#
# 77 LEU QB 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=1155,1156,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 97 LYS+ QB 77 LEU 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=1440,1441,
igr2=1155,1156,
&end
#
# 78 VAL HN 77 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QQD 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=1160,1161,1162,1164,1165,1166,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 VAL HA 77 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
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+ HA 77 LEU QQD 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 97 LYS+ HN 77 LEU QQD 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QQD 97 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=1160,1161,1162,1164,1165,1166,
igr2=1446,1447,
&end
#
# 77 LEU QQD 97 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=1160,1161,1162,1164,1165,1166,
igr2=1449,1450,
&end
#
# 77 LEU QQD 97 LYS+ 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=1160,1161,1162,1164,1165,1166,
igr2=1443,1444,
&end
#
# 98 ARG+ HA 77 LEU QQD 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 99 GLU- HN 77 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 99 GLU- QB 77 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=1486,1487,
igr2=1160,1161,1162,1164,1165,1166,
&end
#
# 77 LEU QQD 99 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=1160,1161,1162,1164,1165,1166,
igr2=1489,1490,
&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 5.50
&rst
ixpk= 0, nxpk= 0, iat=1174,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU HG 78 VAL HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 158,1174, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 96 VAL QQG 78 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 98 ARG+ HA 78 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1460,1174, 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=1174,1458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ARG+ QD 78 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1468,1469,
&end
#
# 99 GLU- HN 78 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 VAL HN 78 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 VAL HA 78 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1188,1170, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 78 VAL HN 79 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1170,1186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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+ HN 78 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1436,1170, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 97 LYS+ 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=1440,1441,
&end
#
# 78 VAL HN 98 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1170,1460, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 VAL HN 98 ARG+ HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1170,1458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ARG+ 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=1465,1466,
&end
#
# 99 GLU- HN 78 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1170, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL HN 78 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 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=1192,1193,1194,1196,1197,1198,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 80 THR HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 9 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1176,1177,1178,1180,1181,1182,
&end
#
# 9 LEU HN 78 VAL QQG 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=1176,1177,1178,1180,1181,1182,
&end
#
# 78 VAL QQG 9 LEU 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=1176,1177,1178,1180,1181,1182,
igr2= 155, 156,
&end
#
# 92 THR HA 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 92 THR HB 78 VAL QQG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 98 ARG+ HA 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 98 ARG+ QB 78 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=1462,1463,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 98 ARG+ QD 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=1468,1469,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 99 GLU- HN 78 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1176,1177,1178,1180,1181,1182,
&end
#
# 79 VAL HB 79 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1190,1188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 VAL HN 79 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 VAL HA 79 VAL QQG 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 80 THR HN 79 VAL HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1202,1188, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 VAL HA 98 ARG+ HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1188,1460, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 VAL HA 99 GLU- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1188,1482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 VAL HA 99 GLU- QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1486,1487,
&end
#
# 79 VAL HN 79 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL QQG 79 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL HB 8 PHE HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1190, 133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 THR HN 79 VAL HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1202,1190, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU HN 79 VAL HB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 151,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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 4.50
&rst
ixpk= 0, nxpk= 0, iat= 133,1186, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 VAL HN 80 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1186,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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
#
# 99 GLU- HN 79 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 PHE HA 79 VAL QQG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 80 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1202, 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 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 9 LEU HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 99 GLU- HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, 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= -1,1482, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1192,1193,1194,1196,1197,1198,
&end
#
# 99 GLU- QB 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=1486,1487,
igr2=1192,1193,1194,1196,1197,1198,
&end
#
# 79 VAL QQG 99 GLU- 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=1192,1193,1194,1196,1197,1198,
igr2=1489,1490,
&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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 135, 136,
&end
#
# 8 PHE HA 80 THR HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 133,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 LEU HA 8 PHE HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1218, 133, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &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 81 LEU QQD 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=1225,1226,1227,1229,1230,1231,
&end
#
# 9 LEU HN 8 PHE HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 151, 133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &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 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 HA 80 THR HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1204,1206, 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 3.50
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1208,1209,1210,
&end
#
# 81 LEU HG 80 THR HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1223,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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
#
# 80 THR HA 82 CYS 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
#
# 85 ALA QB 80 THR HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1269,1270,1271,
&end
#
# 9 LEU HN 80 THR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 151,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 LEU QB 80 THR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 155, 156,
&end
#
# 80 THR HA 99 GLU- HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1204,1482, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 80 THR HB 80 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1206,1202, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 THR HB 81 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 THR HB 82 CYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1206,1235, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 THR HB 85 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1269,1270,1271,
&end
#
# 80 THR HB 86 ALA HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1206,1275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 80 THR HB 86 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1279,1280,1281,
&end
#
# 80 THR HN 80 THR QG2 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1208,1209,1210,
&end
#
# 80 THR HN 9 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1202, 151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 GLU- HA 80 THR HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1484,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &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=1486,1487,
&end
#
# 80 THR QG2 86 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1208,1209,1210,
&end
#
# 80 THR QG2 86 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=1208,1209,1210,
igr2=1279,1280,1281,
&end
#
# 81 LEU HA 81 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 HA 81 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1220,1221,
&end
#
# 81 LEU HA 81 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 81 LEU HA 82 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 LEU HN 81 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1216,1223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1225,1226,1227,1229,1230,1231,
&end
#
# 81 LEU HG 9 LEU HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1223, 151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 LEU HN 81 LEU QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=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
#
# 85 ALA QB 81 LEU HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1269,1270,1271,
&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 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1220,1221,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 81 LEU QB 82 CYS HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1220,1221,
&end
#
# 9 LEU HN 81 LEU QQD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1225,1226,1227,1229,1230,1231,
&end
#
# 82 CYS QB 82 CYS 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=1239,1240,
&end
#
# 85 ALA QB 82 CYS 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=1269,1270,1271,
&end
#
# 83 GLY QA 86 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=1248,1249,
igr2=1279,1280,1281,
&end
#
# 86 ALA HN 85 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1269,1270,1271,
&end
#
# 85 ALA QB 87 ASP- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1269,1270,1271,
&end
#
# 85 ALA QB 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=1269,1270,1271,
&end
#
# 86 ALA HN 86 ALA HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1275,1277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 86 ALA QB 86 ALA HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1279,1280,1281,
&end
#
# 86 ALA HA 87 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1277,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ALA HA 88 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1277,1297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 ALA HA 89 CYS QB 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1323,1324,
&end
#
# 86 ALA HN 86 ALA QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1279,1280,1281,
&end
#
# 86 ALA HN 87 ASP- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1275,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 ASP- HN 86 ALA QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1279,1280,1281,
&end
#
# 87 ASP- QB 86 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=1289,1290,
igr2=1279,1280,1281,
&end
#
# 88 LYS+ HN 86 ALA QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1279,1280,1281,
&end
#
# 9 LEU HG 86 ALA QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1279,1280,1281,
&end
#
# 87 ASP- HN 87 ASP- HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1285,1287, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 ASP- HA 87 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1289,1290,
&end
#
# 88 LYS+ HN 87 ASP- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1297,1287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LYS+ QD 87 ASP- HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1307,1308,
&end
#
# 87 ASP- HN 87 ASP- QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1289,1290,
&end
#
# 88 LYS+ HN 87 ASP- HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1297,1285, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LYS+ HN 87 ASP- QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1289,1290,
&end
#
# 88 LYS+ QG 87 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=1304,1305,
igr2=1289,1290,
&end
#
# 88 LYS+ HN 88 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1297,1299, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LYS+ HA 88 LYS+ QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1301,1302,
&end
#
# 88 LYS+ HA 88 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1304,1305,
&end
#
# 88 LYS+ HA 89 CYS HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1299,1319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 LYS+ QB 88 LYS+ HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1301,1302,
&end
#
# 88 LYS+ QD 88 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1307,1308,
&end
#
# 88 LYS+ HN 88 LYS+ QE 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1310,1311,
&end
#
# 88 LYS+ HN 88 LYS+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1304,1305,
&end
#
# 88 LYS+ HN 89 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1297,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LYS+ QB 88 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=1301,1302,
igr2=1310,1311,
&end
#
# 88 LYS+ QB 89 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1301,1302,
&end
#
# 88 LYS+ QE 88 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=1310,1311,
igr2=1304,1305,
&end
#
# 89 CYS HA 89 CYS HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1321,1319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 89 CYS HA 89 CYS QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1323,1324,
&end
#
# 89 CYS HN 89 CYS QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1323,1324,
&end
#
# 9 LEU HG 89 CYS 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=1323,1324,
&end
#
# 9 LEU QQD 89 CYS QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
igr1= 160, 161, 162, 164, 165, 166,
igr2=1323,1324,
&end
#
# 90 PRO QD 89 CYS 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=1331,1332,
igr2=1323,1324,
&end
#
# 91 MET HA 89 CYS QB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1323,1324,
&end
#
# 89 CYS QB 98 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=1323,1324,
igr2=1468,1469,
&end
#
# 9 LEU HA 9 LEU HG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 153, 158, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 9 LEU HN 9 LEU HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 151, 153, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 LEU HA 9 LEU QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 155, 156,
&end
#
# 9 LEU HA 9 LEU QQD 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 160, 161, 162, 164, 165, 166,
&end
#
# 9 LEU HN 9 LEU HG 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 151, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LEU QB 9 LEU HG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
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 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 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= 160, 161, 162, 164, 165, 166,
igr2= 155, 156,
&end
#
# 90 PRO HA 90 PRO QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1337,1338,
&end
#
# 90 PRO QD 90 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1331,1332,
&end
#
# 90 PRO QG 90 PRO HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1334,1335,
&end
#
# 91 MET HN 90 PRO HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1344,1340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 THR HN 90 PRO HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1361,1340, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 90 PRO QB 90 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=1337,1338,
igr2=1334,1335,
&end
#
# 91 MET HN 90 PRO QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1337,1338,
&end
#
# 90 PRO QB 91 MET 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=1337,1338,
igr2=1351,1352,
&end
#
# 90 PRO QD 90 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=1331,1332,
igr2=1334,1335,
&end
#
# 90 PRO QD 91 MET 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=1331,1332,
igr2=1348,1349,
&end
#
# 91 MET HN 90 PRO QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1334,1335,
&end
#
# 91 MET HN 91 MET HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1344,1346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 MET HA 91 MET QB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1348,1349,
&end
#
# 91 MET HA 91 MET QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1351,1352,
&end
#
# 92 THR HN 91 MET HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1361,1346, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 MET HN 91 MET QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1351,1352,
&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=1348,1349,
igr2=1351,1352,
&end
#
# 91 MET QB 92 THR HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1348,1349,
&end
#
# 91 MET QB 92 THR HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1348,1349,
&end
#
# 91 MET QE 91 MET QG 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=1355,1356,1357,
igr2=1351,1352,
&end
#
# 91 MET QG 92 THR HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1351,1352,
&end
#
# 92 THR HN 91 MET QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1351,1352,
&end
#
# 92 THR HA 92 THR HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1363,1365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 THR HN 92 THR HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1361,1363, 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=1363, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1367,1368,1369,
&end
#
# 92 THR HN 92 THR HB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1361,1365, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 92 THR HB 92 THR QG2 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1367,1368,1369,
&end
#
# 96 VAL HB 92 THR HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1424,1365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 92 THR HB 96 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1365,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 VAL QQG 92 THR HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 92 THR QG2 92 THR HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1361, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1367,1368,1369,
&end
#
# 98 ARG+ QD 92 THR HN 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=1468,1469,
&end
#
# 92 THR QG2 96 VAL HN 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr1=1367,1368,1369,
&end
#
# 94 PRO QB 94 PRO HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1396,1397,
&end
#
# 94 PRO QD 94 PRO HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1390,1391,
&end
#
# 95 HIS HN 94 PRO HA 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat=1403,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 PRO HA 96 VAL HB 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat=1399,1424, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 96 VAL HN 94 PRO HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1420,1399, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 LYS+ QD 94 PRO HA 1.8 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1=1446,1447,
&end
#
# 94 PRO QD 94 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=1390,1391,
igr2=1396,1397,
&end
#
# 94 PRO QB 95 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1396,1397,
&end
#
# 94 PRO QB 96 VAL HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1396,1397,
&end
#
# 96 VAL QQG 94 PRO 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=1426,1427,1428,1430,1431,1432,
igr2=1396,1397,
&end
#
# 94 PRO QD 95 HIS HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1390,1391,
&end
#
# 95 HIS HN 95 HIS HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1403,1405, 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=1405, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1407,1408,
&end
#
# 96 VAL HN 95 HIS HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1420,1405, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 HIS HN 95 HIS QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1407,1408,
&end
#
# 95 HIS HN 96 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1403,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 VAL HN 95 HIS QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1407,1408,
&end
#
# 96 VAL HA 96 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1422,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 VAL HA 96 VAL HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 VAL QQG 96 VAL HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1422, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 97 LYS+ HN 96 VAL HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1436,1422, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 VAL HN 96 VAL HB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1420,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 VAL QQG 96 VAL HB 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 96 VAL HB 97 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1424,1436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 96 VAL QQG 96 VAL HN 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1420, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 97 LYS+ HN 96 VAL HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1436,1420, 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= -1,1436, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1426,1427,1428,1430,1431,1432,
&end
#
# 97 LYS+ HN 97 LYS+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1436,1438, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 LYS+ QB 97 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1440,1441,
&end
#
# 97 LYS+ HA 97 LYS+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1446,1447,
&end
#
# 97 LYS+ HA 97 LYS+ QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1443,1444,
&end
#
# 98 ARG+ HN 97 LYS+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1458,1438, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 LYS+ QB 97 LYS+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1440,1441,
&end
#
# 97 LYS+ QD 97 LYS+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1446,1447,
&end
#
# 97 LYS+ HN 97 LYS+ QG 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=1443,1444,
&end
#
# 97 LYS+ HN 98 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1436,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 97 LYS+ QB 97 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=1440,1441,
igr2=1443,1444,
&end
#
# 97 LYS+ QB 98 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1440,1441,
&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=1446,1447,
igr2=1449,1450,
&end
#
# 97 LYS+ QD 97 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=1446,1447,
igr2=1443,1444,
&end
#
# 98 ARG+ HN 97 LYS+ 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=1446,1447,
&end
#
# 97 LYS+ QG 97 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=1443,1444,
igr2=1449,1450,
&end
#
# 99 GLU- QG 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=1489,1490,
igr2=1449,1450,
&end
#
# 97 LYS+ QG 98 ARG+ HA 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1443,1444,
&end
#
# 97 LYS+ QG 98 ARG+ HN 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1443,1444,
&end
#
# 97 LYS+ QG 98 ARG+ 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=1443,1444,
igr2=1468,1469,
&end
#
# 97 LYS+ QG 99 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1443,1444,
&end
#
# 99 GLU- QB 97 LYS+ 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=1486,1487,
igr2=1443,1444,
&end
#
# 98 ARG+ HN 98 ARG+ HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1458,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 ARG+ HA 98 ARG+ QB 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1462,1463,
&end
#
# 98 ARG+ HA 98 ARG+ QD 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1468,1469,
&end
#
# 98 ARG+ HA 98 ARG+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1465,1466,
&end
#
# 99 GLU- HN 98 ARG+ HA 1.8 2.80
&rst
ixpk= 0, nxpk= 0, iat=1482,1460, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 98 ARG+ HN 98 ARG+ QB 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1462,1463,
&end
#
# 98 ARG+ HN 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=1468,1469,
&end
#
# 98 ARG+ HN 98 ARG+ QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1465,1466,
&end
#
# 99 GLU- HN 98 ARG+ HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 98 ARG+ QD 98 ARG+ 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=1468,1469,
igr2=1462,1463,
&end
#
# 98 ARG+ QG 98 ARG+ 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=1465,1466,
igr2=1462,1463,
&end
#
# 98 ARG+ QB 99 GLU- HN 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1462,1463,
&end
#
# 98 ARG+ QD 99 GLU- HN 1.8 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1468,1469,
&end
#
# 99 GLU- HN 99 GLU- HA 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1482,1484, 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= -1,1484, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1486,1487,
&end
#
# 99 GLU- HA 99 GLU- QG 1.8 3.50
&rst
ixpk= 0, nxpk= 0, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1489,1490,
&end
#
# 99 GLU- QB 99 GLU- HN 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=1486,1487,
&end
#
# 99 GLU- HN 99 GLU- QG 1.8 4.50
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1489,1490,
&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=1486,1487,
igr2=1489,1490,
&end
#
# 31 GLU- HN 0 AMBIG 0 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 478, 479, 475, 476,
&end
#
# 3 ASN HN 0 AMBIG 1 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 36, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 25, 26, 478, 479,
&end
#
# 50 LYS+ HN 0 AMBIG 2 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 784, 726,
&end
#
# 50 LYS+ HN 0 AMBIG 3 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
#
# 4 LYS+ HN 0 AMBIG 4 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 50, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 85, 86, 87, 57, 58,
&end
#
# 5 ILE HN 0 AMBIG 5 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 60, 61, 54, 55,
&end
#
# 6 ILE HN 0 AMBIG 6 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= 548,1139,
&end
#
# 6 ILE HN 0 AMBIG 7 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 95, 514, 515, 76,
&end
#
# 6 ILE HN 0 AMBIG 8 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 97, 98, 99, 78, 79, 80,
&end
#
# 7 TYR HN 0 AMBIG 9 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= 548,1139,
&end
#
# 7 TYR HN 0 AMBIG 10 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 110, -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
#
# 8 PHE HN 0 AMBIG 11 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
#
# 8 PHE HN 0 AMBIG 12 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 13 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1190,1225,1226,1227,1229,1230,1231,1133,1134,1135,
&end
#
# 8 PHE HN 0 AMBIG 14 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3=10.44, r4=10.94,
igr2= 101, 102, 538, 539, 540, 542, 543, 544, 97, 98,
99,
&end
#
# 8 PHE HN 0 AMBIG 15 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1176,1177,1178,1180,1181,1182,1225,1226,1227,1229,
1230,1231,
&end
#
# 24 ALA HN 0 AMBIG 16 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 347, 948, 949,
&end
#
# 9 LEU HN 0 AMBIG 17 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 155, 156,1225,1226,1227,1229,1230,1231,
&end
#
# 24 ALA HN 0 AMBIG 18 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2005, 538, 539, 540, 542, 543, 544,
&end
#
# 24 ALA HN 0 AMBIG 19 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 10 CYS HN 0 AMBIG 20 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 597, 211, 212,
&end
#
# 10 CYS HN 0 AMBIG 21 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 155, 156,1225,1226,1227,1229,1230,1231,
&end
#
# 10 CYS HN 0 AMBIG 22 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 170, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 610, 611, 612,1225,1226,1227,1229,1230,1231,
&end
#
# 11 THR HN 0 AMBIG 23 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1235,1216,
&end
#
# 11 THR HN 0 AMBIG 24 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr2= 610, 611, 612,1225,1226,1227,1229,1230,1231,
&end
#
# 12 GLY HN 0 AMBIG 25 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 181, 170,
&end
#
# 15 CYS HN 0 AMBIG 26 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr2= 730, 731, 732, 620, 621,
&end
#
# 15 CYS HN 0 AMBIG 27 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 688, 689, 174, 175, 206, 207,
&end
#
# 15 CYS HN 0 AMBIG 28 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 277, 278, 245, 246,
&end
#
# 17 SER HN 0 AMBIG 29 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 240,
&end
#
# 17 SER HN 0 AMBIG 30 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1220,1221,1223,
&end
#
# 17 SER HN 0 AMBIG 31 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1947,1948,1949,1940,1941,1942,
&end
#
# 18 GLN HN 0 AMBIG 32 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 211, 212, 317,
&end
#
# 18 GLN HN 0 AMBIG 33 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 266, 267, 292,
&end
#
# 18 GLN HN 0 AMBIG 34 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 264, 240,
&end
#
# 18 GLN HN 0 AMBIG 35 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=1225,1226,1227,1229,1230,1231, 674, 675, 676, 678,
679, 680,
&end
#
# 18 GLN HN 0 AMBIG 36 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
&end
#
# 19 MET HN 0 AMBIG 37 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 317, 211, 212,
&end
#
# 19 MET HN 0 AMBIG 38 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 948, 949, 347,
&end
#
# 19 MET HN 0 AMBIG 39 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 240, 264, 309,
&end
#
# 19 MET HN 0 AMBIG 40 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 905, 906, 907,1947,1948,1949,1940,1941,1942,
&end
#
# 20 ALA HN 0 AMBIG 41 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= 347, 948, 949,
&end
#
# 20 ALA HN 0 AMBIG 42 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 319, 573, 574, 334, 335,
&end
#
# 20 ALA HN 0 AMBIG 43 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
#
# 20 ALA HN 0 AMBIG 44 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 277, 278,1220,1221,1955,1956,
&end
#
# 20 ALA HN 0 AMBIG 45 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1940,1941,1942,1947,1948,1949,
&end
#
# 21 GLU- HN 0 AMBIG 46 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
#
# 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= 6.49, r4= 6.99,
igr2=1940,1941,1942, 905, 906, 907,1947,1948,1949,
&end
#
# 22 GLY HN 0 AMBIG 48 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 894, 341,
&end
#
# 22 GLY HN 0 AMBIG 49 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= 896, 943, 944,
&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= 6.22, r4= 6.72,
igr2= 383, 384, 280, 281, 367, 368, 369,
&end
#
# 22 GLY HN 0 AMBIG 51 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 538, 539, 540, 542, 543, 544,2005,
&end
#
# 22 GLY HN 0 AMBIG 52 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, 907,1940,1941,1942,
&end
#
# 23 TRP HN 0 AMBIG 53 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= 365,1885,
&end
#
# 23 TRP HN 0 AMBIG 54 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 294, 295, 321, 322, 399, 400,
&end
#
# 23 TRP HN 0 AMBIG 55 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 377, 378, 399, 400,1955,1956,2002,2003,
&end
#
# 23 TRP HN 0 AMBIG 56 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 383, 384, 440,
&end
#
# 23 TRP HN 0 AMBIG 57 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr2=2005, 538, 539, 540, 542, 543, 544,
&end
#
# 23 TRP HN 0 AMBIG 58 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1940,1941,1942, 905, 906, 907,
&end
#
# 25 LYS+ HN 0 AMBIG 59 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 334, 335, 319,
&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= 4.58, r4= 5.08,
igr2= 367, 368, 369, 383, 384,
&end
#
# 26 GLN HN 0 AMBIG 61 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, 377, 378,
&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= 6.07, r4= 6.57,
igr2= 383, 384, 367, 368, 369, 440,
&end
#
# 27 TYR HN 0 AMBIG 63 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=2002,2003,2078,2079,2080,
&end
#
# 28 LEU HN 0 AMBIG 64 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 373, 486,
&end
#
# 28 LEU HN 0 AMBIG 65 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 66 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= 397, 454, 455,
&end
#
# 28 LEU HN 0 AMBIG 67 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=2002,2003, 536,
&end
#
# 28 LEU HN 0 AMBIG 68 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=2078,2079,2080,2002,2003,
&end
#
# 28 LEU HN 0 AMBIG 69 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 70 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 440, 367, 368, 369,
&end
#
# 32 TRP HN 0 AMBIG 71 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, 478, 479,
&end
#
# 33 LYS+ HN 0 AMBIG 72 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 85, 86, 87, 97, 98, 99, 78, 79, 80, 538,
539, 540, 542, 543, 544,
&end
#
# 33 LYS+ HN 0 AMBIG 73 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 25, 26, 478, 479,
&end
#
# 33 LYS+ HN 0 AMBIG 74 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 40, 41,1143,1144,
&end
#
# 34 VAL HN 0 AMBIG 75 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2= 25, 26, 321, 322, 437, 438,
&end
#
# 35 TYR HN 0 AMBIG 76 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 35 TYR HN 0 AMBIG 77 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 95, 76,
&end
#
# 35 TYR HN 0 AMBIG 78 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 319,1084,
&end
#
# 36 SER HN 0 AMBIG 79 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 80 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= 580, 131,
&end
#
# 37 ALA HN 0 AMBIG 81 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 160, 161, 162, 164, 165, 166, 155, 156,
&end
#
# 37 ALA HN 0 AMBIG 82 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, 206, 207,
&end
#
# 37 ALA HN 0 AMBIG 83 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
#
# 38 GLY HN 0 AMBIG 84 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 992, 592, 593,
&end
#
# 39 ILE HN 0 AMBIG 85 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 603, 604, 605, 635, 636, 637,
&end
#
# 39 ILE HN 0 AMBIG 86 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 187, 188, 189,1307,1308,
&end
#
# 39 ILE HN 0 AMBIG 87 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 197, 198, 599,
&end
#
# 39 ILE HN 0 AMBIG 88 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= 170, 181,
&end
#
# 40 GLU- HN 0 AMBIG 89 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 601, 623, 624,
&end
#
# 40 GLU- HN 0 AMBIG 90 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 202, 170,
&end
#
# 47 ASN HN 0 AMBIG 91 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, 702, 703,
&end
#
# 47 ASN HN 0 AMBIG 92 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= 708, 728,
&end
#
# 48 ALA HN 0 AMBIG 93 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 778, 779, 780, 672,
&end
#
# 48 ALA HN 0 AMBIG 94 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= 756, 757, 277, 278,
&end
#
# 48 ALA HN 0 AMBIG 95 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, 706,1810,1811,
&end
#
# 48 ALA HN 0 AMBIG 96 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 738, 231, 232,
&end
#
# 48 ALA HN 0 AMBIG 97 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 728, 708,
&end
#
# 49 VAL HN 0 AMBIG 98 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 672, 778, 779, 780,
&end
#
# 49 VAL HN 0 AMBIG 99 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 708, 728,
&end
#
# 51 ALA HN 0 AMBIG 100 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 742, 743, 744, 746, 747, 748, 865,
&end
#
# 51 ALA HN 0 AMBIG 101 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 716, 717, 294, 295,1830,1831,
&end
#
# 51 ALA HN 0 AMBIG 102 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= 830, 831,1893,1894,
&end
#
# 51 ALA HN 0 AMBIG 103 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 738, 765, 766,
&end
#
# 51 ALA HN 0 AMBIG 104 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 HN 0 AMBIG 105 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= 714, 786,
&end
#
# 51 ALA HN 0 AMBIG 106 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1765,1816,1820,
&end
#
# 52 MET HN 0 AMBIG 107 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
#
# 52 MET HN 0 AMBIG 108 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 865, 742, 743, 744, 746, 747, 748,
&end
#
# 52 MET HN 0 AMBIG 109 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 902, 903, 301, 302, 303,
&end
#
# 52 MET HN 0 AMBIG 110 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
#
# 52 MET HN 0 AMBIG 111 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 112 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
#
# 53 LYS+ HN 0 AMBIG 113 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
#
# 53 LYS+ HN 0 AMBIG 114 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 902, 903, 844, 845, 846, 848, 849, 850,
&end
#
# 53 LYS+ HN 0 AMBIG 115 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 738, 765, 766,
&end
#
# 53 LYS+ HN 0 AMBIG 116 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 776, 728,
&end
#
# 54 GLU- HN 0 AMBIG 117 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,
&end
#
# 54 GLU- HN 0 AMBIG 118 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= 811, 812,1890,1891,
&end
#
# 55 VAL HN 0 AMBIG 119 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 808, 809, 778, 779, 780,
&end
#
# 55 VAL HN 0 AMBIG 120 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 842,1893,1894,
&end
#
# 55 VAL HN 0 AMBIG 121 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 854, 861,
&end
#
# 56 GLY HN 0 AMBIG 122 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,
&end
#
# 57 ILE HN 0 AMBIG 123 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 871, 872, 844, 845, 846, 848, 849, 850,
&end
#
# 57 ILE HN 0 AMBIG 124 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
#
# 57 ILE HN 0 AMBIG 125 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 838, 407, 408,
&end
#
# 58 ASP- HN 0 AMBIG 126 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 871, 872, 902, 903,
&end
#
# 58 ASP- HN 0 AMBIG 127 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
#
# 59 ILE HN 0 AMBIG 128 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 896, 943, 944,
&end
#
# 59 ILE HN 0 AMBIG 129 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
#
# 60 SER HN 0 AMBIG 130 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
&end
#
# 60 SER HN 0 AMBIG 131 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 896, 943, 944,
&end
#
# 60 SER HN 0 AMBIG 132 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 814, 815, 884, 885,
&end
#
# 61 ASN HN 0 AMBIG 133 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
&end
#
# 61 ASN HN 0 AMBIG 134 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
#
# 62 GLN HN 0 AMBIG 135 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 902, 903, 959, 960, 961,
&end
#
# 64 SER HN 0 AMBIG 136 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 220, 221, 275,
&end
#
# 64 SER HN 0 AMBIG 137 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 980, 686,
&end
#
# 65 ASP- HN 0 AMBIG 138 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2= 584, 585, 586,1000,1001,
&end
#
# 65 ASP- HN 0 AMBIG 139 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 978, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 990, 631,
&end
#
# 66 ILE HN 0 AMBIG 140 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 980, 992,
&end
#
# 67 ILE HN 0 AMBIG 141 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= 160, 161, 162, 164, 165, 166,1022,1023,1024,
&end
#
# 67 ILE HN 0 AMBIG 142 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=1000,1001, 584, 585, 586,
&end
#
# 67 ILE HN 0 AMBIG 143 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 990, 616,
&end
#
# 68 ASP- HN 0 AMBIG 144 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1019,1020,1091,1092,1093,1095,1096,1097,
&end
#
# 68 ASP- HN 0 AMBIG 145 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 584, 585, 586,1000,1001,
&end
#
# 68 ASP- HN 0 AMBIG 146 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1067, 155, 156,
&end
#
# 68 ASP- HN 0 AMBIG 147 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1019,1020,1086,1087,
&end
#
# 69 SER HN 0 AMBIG 148 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr2=1019,1020,1091,1092,1093,1095,1096,1097,
&end
#
# 69 SER HN 0 AMBIG 149 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1032,1033,1105,1106,
&end
#
# 70 ASP- HN 0 AMBIG 150 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1091,1092,1093,1095,1096,1097,1019,1020,
&end
#
# 70 ASP- HN 0 AMBIG 151 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1086,1087,1019,1020,
&end
#
# 71 ILE HN 0 AMBIG 152 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1091,1092,1093,1095,1096,1097,1019,1020,
&end
#
# 72 LEU HN 0 AMBIG 153 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1091,1092,1093,1095,1096,1097,1019,1020,
&end
#
# 72 LEU HN 0 AMBIG 154 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=1032,1033,1119,1120,
&end
#
# 73 ASN HN 0 AMBIG 155 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=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
1431,1432,
&end
#
# 73 ASN HN 0 AMBIG 156 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 157 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
1096,1097,
&end
#
# 74 ASN HN 0 AMBIG 158 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 78, 79, 80, 85, 86, 87,
&end
#
# 74 ASN HN 0 AMBIG 159 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1089,1086,1087,
&end
#
# 74 ASN HN 0 AMBIG 160 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=1086,1087,1424, 76,
&end
#
# 74 ASN HN 0 AMBIG 161 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1115, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1119,1120,1105,1106,
&end
#
# 74 ASN HN 0 AMBIG 162 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 163 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=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
1096,1097,
&end
#
# 75 ALA HN 0 AMBIG 164 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 85, 86, 87,1176,1177,1178,1180,1181,1182,
&end
#
# 75 ALA HN 0 AMBIG 165 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 78, 79, 80, 85, 86, 87,
&end
#
# 75 ALA HN 0 AMBIG 166 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 76,1424,
&end
#
# 76 ASP- HN 0 AMBIG 167 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 85, 86, 87, 78, 79, 80,
&end
#
# 76 ASP- HN 0 AMBIG 168 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1153,1117,
&end
#
# 77 LEU HN 0 AMBIG 169 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1151, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 78, 79, 80, 101, 102, 57, 58, 85, 86, 87,
&end
#
# 77 LEU HN 0 AMBIG 170 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= 76, 95,
&end
#
# 78 VAL HN 0 AMBIG 171 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1170, -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
#
# 78 VAL HN 0 AMBIG 172 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1468,1469,1449,1450,
&end
#
# 78 VAL HN 0 AMBIG 173 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=1186,1458, 110,
&end
#
# 79 VAL HN 0 AMBIG 174 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1158,1208,1209,1210, 155, 156,
&end
#
# 80 THR HN 0 AMBIG 175 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=1176,1177,1178,1180,1181,1182,1225,1226,1227,1229,
1230,1231,
&end
#
# 80 THR HN 0 AMBIG 176 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1190,1225,1226,1227,1229,1230,1231, 155, 156,
&end
#
# 81 LEU HN 0 AMBIG 177 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr2=1208,1209,1210, 155, 156, 160, 161, 162, 164, 165,
166,
&end
#
# 81 LEU HN 0 AMBIG 178 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 155, 156,1225,1226,1227,1229,1230,1231,1279,1280,
1281,
&end
#
# 81 LEU HN 0 AMBIG 179 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=1220,1221,1223,
&end
#
# 81 LEU HN 0 AMBIG 180 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1514,1275,
&end
#
# 86 ALA HN 0 AMBIG 181 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1277,1248,1249,
&end
#
# 87 ASP- HN 0 AMBIG 182 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 87 ASP- HN 0 AMBIG 183 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1235,1216,
&end
#
# 88 LYS+ HN 0 AMBIG 184 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1285,1319,
&end
#
# 115 GLU- HN 0 AMBIG 185 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1719,1720,1704,1705,
&end
#
# 115 GLU- HN 0 AMBIG 186 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1707,1708,1722,1723,1692,1693,
&end
#
# 115 GLU- HN 0 AMBIG 187 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1756,1757,1790,1791,
&end
#
# 115 GLU- HN 0 AMBIG 188 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1700,1671,
&end
#
# 92 THR HN 0 AMBIG 189 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1344,1458,
&end
#
# 92 THR HN 0 AMBIG 190 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1176,1177,1178,1180,1181,1182,1091,1092,1093,1095,
1096,1097,1426,1427,1428,1430,1431,1432,
&end
#
# 95 HIS HN 0 AMBIG 191 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1407,1408,1390,1391,
&end
#
# 98 ARG+ HN 0 AMBIG 192 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1468,1469,1449,1450,
&end
#
# 98 ARG+ HN 0 AMBIG 193 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1443,1444,1462,1463,
&end
#
# 98 ARG+ HN 0 AMBIG 194 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1160,1161,1162,1164,1165,1166,1176,1177,1178,1180,
1181,1182,1426,1427,1428,1430,1431,1432,
&end
#
# 99 GLU- HN 0 AMBIG 195 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1170,1497,
&end
#
# 99 GLU- HN 0 AMBIG 196 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1458,1186,
&end
#
# 99 GLU- HN 0 AMBIG 197 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1465,1466,1190,
&end
#
# 116 LYS+ HN 0 AMBIG 198 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1737,1738,1677,1678,1679,
&end
#
# 101 TRP HN 0 AMBIG 199 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1225,1226,1227,1229,1230,1231,1279,1280,1281,
&end
#
# 103 PHE HN 0 AMBIG 200 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1545, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1220,1221, 245, 246,
&end
#
# 104 ASP- HN 0 AMBIG 201 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=1569,1570,1549,1550,
&end
#
# 105 ASP- HN 0 AMBIG 202 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1569,1570, 251,1626,
&end
#
# 105 ASP- HN 0 AMBIG 203 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1577, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1617,1618,1620,1621,
&end
#
# 107 ALA HN 0 AMBIG 204 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1737,1738,1873,1874,1875,1877,1878,1879,
&end
#
# 107 ALA HN 0 AMBIG 205 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1581,1582,1743,1744,
&end
#
# 107 ALA HN 0 AMBIG 206 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1599, 248, 249,
&end
#
# 108 ARG+ HN 0 AMBIG 207 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1617,1618,1620,1621,1607,1608,1609,
&end
#
# 109 ALA HN 0 AMBIG 208 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=1617,1618,1620,1621,
&end
#
# 109 ALA HN 0 AMBIG 209 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1637, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1649,1579,
&end
#
# 110 GLN HN 0 AMBIG 210 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1617,1618,1620,1621,
&end
#
# 110 GLN HN 0 AMBIG 211 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1796,1800,1613,
&end
#
# 110 GLN HN 0 AMBIG 212 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1730,1577,
&end
#
# 110 GLN HN 0 AMBIG 213 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1647, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1732,1599,
&end
#
# 111 GLY HN 0 AMBIG 214 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1664, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr2=1737,1738,1677,1678,1679,
&end
#
# 112 THR HN 0 AMBIG 215 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1671, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1740,1741,1780,1781,1782,
&end
#
# 113 GLU- HN 0 AMBIG 216 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1677,1678,1679,1737,1738,
&end
#
# 114 GLU- HN 0 AMBIG 217 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1677,1678,1679,1737,1738,
&end
#
# 114 GLU- HN 0 AMBIG 218 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
igr2=1740,1741,1780,1781,1782,
&end
#
# 114 GLU- HN 0 AMBIG 219 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1704,1705,1689,1690,
&end
#
# 114 GLU- HN 0 AMBIG 220 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1700, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1707,1708,1692,1693,
&end
#
# 116 LYS+ HN 0 AMBIG 221 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1730, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1740,1741,1780,1781,1782,
&end
#
# 118 ALA HN 0 AMBIG 222 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1704,1705,1830,1831,
&end
#
# 118 ALA HN 0 AMBIG 223 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1707,1708,1810,1811,1722,1723,
&end
#
# 118 ALA HN 0 AMBIG 224 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1810,1811,1828,
&end
#
# 118 ALA HN 0 AMBIG 225 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1702,1788,
&end
#
# 118 ALA HN 0 AMBIG 226 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1700,1671,
&end
#
# 118 ALA HN 0 AMBIG 227 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1776, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1850,1851,1833,1834,
&end
#
# 119 PHE HN 0 AMBIG 228 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1737,1738,1873,1874,1875,1877,1878,1879,
&end
#
# 119 PHE HN 0 AMBIG 229 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1596,1597,1833,1834,
&end
#
# 119 PHE HN 0 AMBIG 230 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1850,1851,1833,1834,
&end
#
# 119 PHE HN 0 AMBIG 231 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1760, 721, 722,
&end
#
# 120 PHE HN 0 AMBIG 232 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1737,1738, 778, 779, 780,
&end
#
# 120 PHE HN 0 AMBIG 233 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 721, 722,1760,
&end
#
# 120 PHE HN 0 AMBIG 234 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1806, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1786,1826,
&end
#
# 121 GLN HN 0 AMBIG 235 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1873,1874,1875,1877,1878,1879,1737,1738,
&end
#
# 121 GLN HN 0 AMBIG 236 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1833,1834,1596,1597,
&end
#
# 121 GLN HN 0 AMBIG 237 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1833,1834,1850,1851,
&end
#
# 121 GLN HN 0 AMBIG 238 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1810,1811,1828,
&end
#
# 121 GLN HN 0 AMBIG 239 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=1788, 776,
&end
#
# 121 GLN HN 0 AMBIG 240 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1838,1839,1767,
&end
#
# 121 GLN HN 0 AMBIG 241 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1826, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1760, 721, 722,
&end
#
# 122 ARG+ HN 0 AMBIG 242 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1833,1834,1596,1597,
&end
#
# 122 ARG+ HN 0 AMBIG 243 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1911,1912,1926,1927,1893,1894,
&end
#
# 122 ARG+ HN 0 AMBIG 244 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1843, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1828,1810,1811,
&end
#
# 123 VAL HN 0 AMBIG 245 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1596,1597, 301, 302, 303,
&end
#
# 123 VAL HN 0 AMBIG 246 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1850,1851,1593,1594,
&end
#
# 124 ARG+ HN 0 AMBIG 247 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1947,1948,1949,1940,1941,1942,
&end
#
# 124 ARG+ HN 0 AMBIG 248 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=1593,1594,1833,1834,1850,1851,
&end
#
# 124 ARG+ HN 0 AMBIG 249 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1887,1888,1871,
&end
#
# 124 ARG+ HN 0 AMBIG 250 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1893,1894,1926,1927,
&end
#
# 124 ARG+ HN 0 AMBIG 251 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1828,1893,1894,
&end
#
# 124 ARG+ HN 0 AMBIG 252 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1826,1953,
&end
#
# 125 ASP- HN 0 AMBIG 253 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1947,1948,1949,1940,1941,1942,
&end
#
# 125 ASP- HN 0 AMBIG 254 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr2=1873,1874,1875,1877,1878,1879, 844, 845, 846, 848,
849, 850,
&end
#
# 125 ASP- HN 0 AMBIG 255 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1833,1834,1850,1851,
&end
#
# 125 ASP- HN 0 AMBIG 256 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1830,1831, 294, 295,
&end
#
# 125 ASP- HN 0 AMBIG 257 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1828,1893,1894,
&end
#
# 125 ASP- HN 0 AMBIG 258 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 354,1974,
&end
#
# 125 ASP- HN 0 AMBIG 259 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1953,1826,
&end
#
# 126 GLU- HN 0 AMBIG 260 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1947,1948,1949,1940,1941,1942,
&end
#
# 126 GLU- HN 0 AMBIG 261 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1923,1924,1926,1927,
&end
#
# 126 GLU- HN 0 AMBIG 262 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1926,1927,1911,1912,
&end
#
# 126 GLU- HN 0 AMBIG 263 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1921,1845,
&end
#
# 126 GLU- HN 0 AMBIG 264 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1960,1867,
&end
#
# 127 ILE HN 0 AMBIG 265 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=1947,1948,1949,1940,1941,1942,
&end
#
# 127 ILE HN 0 AMBIG 266 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1955,1956,1981,1982,
&end
#
# 127 ILE HN 0 AMBIG 267 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1926,1927,1964,1965,1911,1912,
&end
#
# 128 GLY HN 0 AMBIG 268 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1923,1924,1887,1888,
&end
#
# 128 GLY HN 0 AMBIG 269 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1926,1927,1893,1894,
&end
#
# 128 GLY HN 0 AMBIG 270 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1974, 354,
&end
#
# 129 ASN HN 0 AMBIG 271 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1940,1941,1942,1947,1948,1949,
&end
#
# 129 ASN HN 0 AMBIG 272 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2021,2022,1938,
&end
#
# 129 ASN HN 0 AMBIG 273 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1936,1984,1985,
&end
#
# 129 ASN HN 0 AMBIG 274 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1969,1970,1557,
&end
#
# 130 ARG+ HN 0 AMBIG 275 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1940,1941,1942,1947,1948,1949,
&end
#
# 130 ARG+ HN 0 AMBIG 276 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2021,2022,2005,
&end
#
# 130 ARG+ HN 0 AMBIG 277 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1936,1984,1985,
&end
#
# 130 ARG+ HN 0 AMBIG 278 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1976,1962,
&end
#
# 130 ARG+ HN 0 AMBIG 279 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1974, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2017,1934,
&end
#
# 131 LEU HN 0 AMBIG 280 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
igr2=1964,1965, 416, 417,1926,1927,
&end
#
# 131 LEU HN 0 AMBIG 281 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1984,1985,1936,
&end
#
# 131 LEU HN 0 AMBIG 282 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1998, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 343, 344,2058,2059,
&end
#
# 131 LEU HN 0 AMBIG 283 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=2000,1976,
&end
#
# 132 LYS+ HN 0 AMBIG 284 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1978,1979,1978,1979,
&end
#
# 132 LYS+ HN 0 AMBIG 285 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 416, 417, 343, 344,
&end
#
# 132 LYS+ HN 0 AMBIG 286 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2017, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1962,2000,1976,
&end
#
# 133 GLU- HN 0 AMBIG 287 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2019,2133,2134,
&end
#
# 133 GLU- HN 0 AMBIG 288 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2039, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1976,1962,
&end
#
# 134 PHE HN 0 AMBIG 289 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2021,2022,2005,
&end
#
# 134 PHE HN 0 AMBIG 290 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2133,2134,2019,
&end
#
# 134 PHE HN 0 AMBIG 291 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2000,1976,
&end
#
# 134 PHE HN 0 AMBIG 292 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=2054, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=2064,2068,1557,
&end
#
# 135 ALA HN 0 AMBIG 293 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2=2124,2125,1978,1979, 367, 368, 369,
&end
#
# 135 ALA HN 0 AMBIG 294 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2043,2044, 437, 438,
&end
#
# 135 ALA HN 0 AMBIG 295 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2002,2003,1981,1982,
&end
#
# 135 ALA HN 0 AMBIG 296 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2000,2086,
&end
#
# 136 GLU- HN 0 AMBIG 297 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2056,2101,
&end
#
# 137 THR HN 0 AMBIG 298 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2078,2079,2080,2027,2028,
&end
#
# 137 THR HN 0 AMBIG 299 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2091,2092,2046,2047,
&end
#
# 138 GLY HN 0 AMBIG 300 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2088,2089,2043,2044,
&end
#
# 138 GLY HN 0 AMBIG 301 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2088,2089,2046,2047,
&end
#
# 138 GLY HN 0 AMBIG 302 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=2058,2059,1449,1450,
&end
#
# 138 GLY HN 0 AMBIG 303 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2086,2000,
&end
#
# 139 LYS+ HN 0 AMBIG 304 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2120, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2058,2059,1449,1450,
&end
#
# 26 GLN QE2 0 AMBIG 305 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
igr1= 407, 408,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,
&end
#
# 26 GLN QE2 0 AMBIG 306 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 307 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= 407, 408,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,
&end
#
# 26 GLN QE2 0 AMBIG 308 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 309 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= 407, 408,
igr2= 842, 416, 417,
&end
#
# 129 ASN QD2 0 AMBIG 310 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=1969,1970,
igr2=1926,1927,1923,1924,2046,2047,
&end
#
# 129 ASN QD2 0 AMBIG 311 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=1969,1970,
igr2=1962,1976,
&end
#
# 129 ASN QD2 0 AMBIG 312 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=1969,1970,
igr2=1926,1927,1923,1924,2046,2047,
&end
#
# 129 ASN QD2 0 AMBIG 313 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=1969,1970,
igr2=1962,1976,
&end
#
# 110 GLN QE2 0 AMBIG 314 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=1659,1660,
igr2=1617,1618,1740,1741,1620,1621,
&end
#
# 73 ASN QD2 0 AMBIG 315 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=1110,1111,
igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
1431,1432,
&end
#
# 73 ASN QD2 0 AMBIG 316 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=1110,1111,
igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
1431,1432,
&end
#
# 73 ASN QD2 0 AMBIG 317 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=1110,1111,
igr2=1086,1087,1424,
&end
#
# 61 ASN QD2 0 AMBIG 318 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= 931, 932,
igr2= 926, 927, 386, 387,
&end
#
# 61 ASN QD2 0 AMBIG 319 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= 931, 932,
igr2= 926, 927, 386, 387,
&end
#
# 74 ASN QD2 0 AMBIG 320 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=1124,1125,
igr2= 85, 86, 87, 78, 79, 80,
&end
#
# 74 ASN QD2 0 AMBIG 321 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=1124,1125,
igr2= 85, 86, 87, 78, 79, 80,
&end
#
# 13 ASN QD2 0 AMBIG 322 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= 211, 212,
igr2= 573, 574, 266, 267,
&end
#
# 13 ASN QD2 0 AMBIG 323 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= 211, 212,
igr2= 573, 574, 266, 267,
&end
#
# 13 ASN QD2 0 AMBIG 324 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= 211, 212,
igr2= 982, 983, 206, 207,
&end
#
# 18 GLN QE2 0 AMBIG 325 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= 285, 286,
igr2= 667, 573, 574,
&end
#
# 18 GLN QE2 0 AMBIG 326 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= 285, 286,
igr2= 667, 573, 574,
&end
#
# 23 TRP HE1 0 AMBIG 327 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1940,1941,1942,1947,1948,1949,
&end
#
# 23 TRP HE1 0 AMBIG 328 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,1873,1874,
1875,1877,1878,1879,
&end
#
# 23 TRP HE1 0 AMBIG 329 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1893,1894,1911,1912, 842,
&end
#
# 23 TRP HE1 0 AMBIG 330 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=1909, 341, 786,
&end
#
# 23 TRP HE1 0 AMBIG 331 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= 354,1974,
&end
#
# 23 TRP HE1 0 AMBIG 332 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1960,1998,
&end
#
# 23 TRP HE1 0 AMBIG 333 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=1934,1883,
&end
#
# 32 TRP HE1 0 AMBIG 334 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= 440, 367, 368, 369,
&end
#
# 32 TRP HE1 0 AMBIG 335 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 437, 438, 478, 479, 475, 476,
&end
#
# 62 GLN QE2 0 AMBIG 336 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= 277, 278, 377, 378,
&end
#
# 62 GLN QE2 0 AMBIG 337 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= 948, 949,
igr2= 940, 941, 324, 325,
&end
#
# 62 GLN QE2 0 AMBIG 338 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= 948, 949,
igr2= 896, 943, 944,
&end
#
# 62 GLN QE2 0 AMBIG 339 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= 277, 278, 377, 378,
&end
#
# 62 GLN QE2 0 AMBIG 340 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= 948, 949,
igr2= 940, 941, 324, 325,
&end
#
# 62 GLN QE2 0 AMBIG 341 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= 948, 949,
igr2= 321, 322, 280, 281,
&end
#
# 62 GLN QE2 0 AMBIG 342 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= 948, 949,
igr2= 896, 943, 944,
&end
#
# 62 GLN QE2 0 AMBIG 343 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= 948, 949,
igr2= 334, 335, 319,
&end
#
# 121 GLN QE2 0 AMBIG 344 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=1838,1839,
igr2=1828,1893,1894,
&end
#
# 121 GLN QE2 0 AMBIG 345 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=1838,1839,
igr2=1828,1893,1894,
&end
#
# 101 TRP HE1 0 AMBIG 346 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr2=1225,1226,1227,1229,1230,1231,1160,1161,1162,1164,
1165,1166,2007,2008,2009,2011,2012,2013,
&end
#
# 101 TRP HE1 0 AMBIG 347 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1524, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1484,2056,
&end
#
# 117 TRP HE1 0 AMBIG 348 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1756,1757, 765, 766,
&end
#
# 117 TRP HE1 0 AMBIG 349 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1762, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 776,1702,
&end
#
# 117 TRP HN 0 AMBIG 350 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1700,1671,
&end
#
# 117 TRP HN 0 AMBIG 351 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 721, 722,1760,
&end
#
# 117 TRP HN 0 AMBIG 352 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 721, 722,1760,
&end
#
# 117 TRP HN 0 AMBIG 353 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1752, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1692,1693,1707,1708,
&end
#
# 82 CYS HN 0 AMBIG 354 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1239,1240,1540,1541,
&end
#
# 82 CYS HN 0 AMBIG 355 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1220,1221,1223,
&end
#
# 82 CYS HN 0 AMBIG 356 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1279,1280,1281,1225,1226,1227,1229,1230,1231,
&end
#
# 82 CYS HN 0 AMBIG 357 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2=1208,1209,1210, 155, 156, 160, 161, 162, 164, 165,
166,
&end
#
# 82 CYS HN 0 AMBIG 358 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
igr2=1225,1226,1227,1229,1230,1231, 610, 611, 612,
&end
#
# 36 SER QB 0 AMBIG 359 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= 573, 574,
igr2= 321, 322, 324, 325,
&end
#
# 36 SER QB 0 AMBIG 360 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= 573, 574,
igr2= 580, 131,
&end
#
# 123 VAL HA 0 AMBIG 361 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1947,1948,1949, 301, 302, 303,
&end
#
# 123 VAL HA 0 AMBIG 362 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=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 49 VAL HA 0 AMBIG 363 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 708, 776,
&end
#
# 49 VAL HA 0 AMBIG 364 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 915, 916, 913, 292,
&end
#
# 49 VAL HA 0 AMBIG 365 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
&end
#
# 39 ILE HA 0 AMBIG 366 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=1019,1020,1269,1270,1271,
&end
#
# 71 ILE HA 0 AMBIG 367 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 78, 79, 80, 85, 86, 87,
&end
#
# 120 PHE HA 0 AMBIG 368 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 120 PHE HA 0 AMBIG 369 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2= 716, 717, 294, 295,
&end
#
# 120 PHE HA 0 AMBIG 370 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 728,1605, 776,
&end
#
# 120 PHE HA 0 AMBIG 371 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1599, 248, 249,
&end
#
# 120 PHE HA 0 AMBIG 372 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1826,1786,
&end
#
# 120 PHE HA 0 AMBIG 373 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1808, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1806,1867,
&end
#
# 106 PRO HA 0 AMBIG 374 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 60 SER QB 0 AMBIG 375 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= 915, 916,
igr2= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
747, 748,
&end
#
# 73 ASN QB 0 AMBIG 376 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=1105,1106,
igr2=1044,1045,1044,1045,
&end
#
# 69 SER QB 0 AMBIG 377 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=1044,1045,
igr2=1019,1020,1086,1087,
&end
#
# 69 SER QB 0 AMBIG 378 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=1044,1045,
igr2=1089,1019,1020,
&end
#
# 69 SER HA 0 AMBIG 379 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1086,1087,1019,1020,
&end
#
# 69 SER HA 0 AMBIG 380 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1086,1087,1334,1335,
&end
#
# 60 SER HA 0 AMBIG 381 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 684, 752,
&end
#
# 60 SER HA 0 AMBIG 382 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 913, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 943, 944, 740,
&end
#
# 60 SER HA 0 AMBIG 383 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
#
# 16 ARG+ HA 0 AMBIG 384 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1947,1948,1949, 301, 302, 303,
&end
#
# 16 ARG+ HA 0 AMBIG 385 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 19 MET HA 0 AMBIG 386 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 788, 789, 730, 731, 732,
&end
#
# 19 MET HA 0 AMBIG 387 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 297, 298, 343, 344,
&end
#
# 19 MET HA 0 AMBIG 388 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 948, 949, 347,
&end
#
# 116 LYS+ HA 0 AMBIG 389 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1732, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1752,1647,
&end
#
# 124 ARG+ HA 0 AMBIG 390 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1893,1894,1926,1927,
&end
#
# 124 ARG+ HA 0 AMBIG 391 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 124 ARG+ HA 0 AMBIG 392 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1885, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1947,1948,1949, 301, 302, 303,1940,1941,1942,
&end
#
# 121 GLN HA 0 AMBIG 393 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr2= 844, 845, 846, 848, 849, 850,1873,1874,1875,1877,
1878,1879,1873,1874,1875,1877,1878,1879,
&end
#
# 121 GLN HA 0 AMBIG 394 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1893,1894,1911,1912,
&end
#
# 121 GLN HA 0 AMBIG 395 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 823, 354,
&end
#
# 21 GLU- HA 0 AMBIG 396 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
#
# 53 LYS+ HA 0 AMBIG 397 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
#
# 53 LYS+ HA 0 AMBIG 398 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 865, 742, 743, 744, 746, 747, 748,
&end
#
# 53 LYS+ HA 0 AMBIG 399 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 805, 806, 805, 806,
&end
#
# 53 LYS+ HA 0 AMBIG 400 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
#
# 122 ARG+ HA 0 AMBIG 401 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1845, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 126 GLU- HA 0 AMBIG 402 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1853,1854,1984,1985,
&end
#
# 126 GLU- HA 0 AMBIG 403 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1964,1965,1926,1927,
&end
#
# 126 GLU- HA 0 AMBIG 404 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1926,1927,1923,1924,
&end
#
# 133 GLU- HA 0 AMBIG 405 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2046,2047,2043,2044,2088,2089,
&end
#
# 133 GLU- HA 0 AMBIG 406 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=2041, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2054,2099,
&end
#
# 115 GLU- HA 0 AMBIG 407 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1722,1723,1719,1720,
&end
#
# 115 GLU- HA 0 AMBIG 408 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1756,1757,1790,1791,
&end
#
# 115 GLU- HA 0 AMBIG 409 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1715,1786,
&end
#
# 25 LYS+ HA 0 AMBIG 410 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 452, 532,
&end
#
# 25 LYS+ HA 0 AMBIG 411 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 334, 335, 319,
&end
#
# 72 LEU HA 0 AMBIG 412 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
1431,1432,
&end
#
# 18 GLN HA 0 AMBIG 413 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 898, 899, 900, 674, 675, 676, 678, 679, 680,
&end
#
# 18 GLN HA 0 AMBIG 414 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 324, 325, 321, 322, 280, 281,
&end
#
# 18 GLN HA 0 AMBIG 415 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 319, 334, 335,
&end
#
# 18 GLN HA 0 AMBIG 416 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 317, 211, 212,
&end
#
# 131 LEU HA 0 AMBIG 417 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=2064,2068,1557,
&end
#
# 131 LEU HA 0 AMBIG 418 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=2000, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=2002,2003,1981,1982,
&end
#
# 130 ARG+ HA 0 AMBIG 419 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1978,1979,1978,1979,
&end
#
# 130 ARG+ HA 0 AMBIG 420 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1976, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1960,2099,
&end
#
# 129 ASN HA 0 AMBIG 421 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=2043,2044,2002,2003,1981,1982,
&end
#
# 129 ASN HA 0 AMBIG 422 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1911,1912, 416, 417,
&end
#
# 129 ASN HA 0 AMBIG 423 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2019,1984,1985,
&end
#
# 129 ASN HA 0 AMBIG 424 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1962, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2039,1969,1970,
&end
#
# 24 ALA HA 0 AMBIG 425 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 440, 367, 368, 369,
&end
#
# 24 ALA HA 0 AMBIG 426 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2002,2003,2078,2079,2080,
&end
#
# 24 ALA HA 0 AMBIG 427 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
#
# 20 ALA HA 0 AMBIG 428 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 367, 368, 369,1978,1979,
&end
#
# 20 ALA HA 0 AMBIG 429 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2002,2003,1955,1956,1220,1221,
&end
#
# 20 ALA HA 0 AMBIG 430 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 324, 325, 399, 400,
&end
#
# 135 ALA HA 0 AMBIG 431 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2099,2054,
&end
#
# 86 ALA HA 0 AMBIG 432 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1323,1324,1501,1502,
&end
#
# 86 ALA HA 0 AMBIG 433 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1277, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1285,1319,
&end
#
# 109 ALA HA 0 AMBIG 434 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1740,1741,1620,1621,
&end
#
# 109 ALA HA 0 AMBIG 435 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1654,1655,1654,1655,
&end
#
# 109 ALA HA 0 AMBIG 436 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1796,1800,1613,
&end
#
# 75 ALA HA 0 AMBIG 437 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 78, 79, 80, 85, 86, 87,
&end
#
# 75 ALA HA 0 AMBIG 438 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2=1158,1073,1074,
&end
#
# 106 PRO QD 0 AMBIG 439 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=1590,1591,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 106 PRO QD 0 AMBIG 440 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=1590,1591,
igr2=1593,1594, 245, 246,
&end
#
# 22 GLY QA 0 AMBIG 441 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= 334, 335,
igr2= 795, 796, 797, 898, 899, 900,
&end
#
# 22 GLY QA 0 AMBIG 442 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 334, 335,
igr2= 324, 325, 788, 789, 402, 403, 294, 295,
&end
#
# 22 GLY QA 0 AMBIG 443 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= 334, 335,
igr2= 795, 796, 797, 898, 899, 900,
&end
#
# 56 GLY QA 0 AMBIG 444 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 445 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 446 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= 407, 408, 838,
&end
#
# 56 GLY QA 0 AMBIG 447 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= 407, 408, 838,
&end
#
# 56 GLY QA 0 AMBIG 448 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 856, 857,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,
&end
#
# 56 GLY QA 0 AMBIG 449 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 856, 857,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,
&end
#
# 138 GLY QA 0 AMBIG 450 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=2115,2116,
igr2=2099,2054,
&end
#
# 124 ARG+ QD 0 AMBIG 451 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=1893,1894,
igr2= 827, 828, 294, 295,
&end
#
# 124 ARG+ QD 0 AMBIG 452 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=1893,1894,
igr2= 354, 823,
&end
#
# 35 TYR QB 0 AMBIG 453 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= 552, 553,
igr2= 78, 79, 80, 538, 539, 540, 542, 543, 544, 97,
98, 99,
&end
#
# 111 GLY QA 0 AMBIG 454 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1666,1667,
igr2=1677,1678,1679,1737,1738,
&end
#
# 111 GLY QA 0 AMBIG 455 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=1666,1667,
igr2=1719,1720,1722,1723,
&end
#
# 103 PHE QB 0 AMBIG 456 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=1549,1550,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 38 GLY QA 0 AMBIG 457 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= 592, 593,
igr2= 635, 636, 637, 603, 604, 605,
&end
#
# 108 ARG+ QD 0 AMBIG 458 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=1623,1624,
igr2=1617,1618,1620,1621,1607,1608,1609,
&end
#
# 98 ARG+ QD 0 AMBIG 459 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=1468,1469,
igr2=1367,1368,1369,1355,1356,1357,
&end
#
# 97 LYS+ QE 0 AMBIG 460 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=1449,1450,
igr2=2127,2128,1465,1466,
&end
#
# 7 TYR QB 0 AMBIG 461 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= 114, 115,
igr2= 110,1186,
&end
#
# 27 TYR QB 0 AMBIG 462 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=2078,2079,2080,2002,2003,
&end
#
# 120 PHE QB 0 AMBIG 463 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=1810,1811,
igr2=1830,1831, 716, 717,
&end
#
# 134 PHE QB 0 AMBIG 464 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=2058,2059,
igr2= 501,1522,
&end
#
# 134 PHE QB 0 AMBIG 465 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=2058,2059,
igr2=2078,2079,2080,2002,2003,
&end
#
# 134 PHE QB 0 AMBIG 466 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=2058,2059,
igr2=2005,1486,1487,
&end
#
# 19 MET QG 0 AMBIG 467 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= 297, 298,
igr2= 292, 248, 249,
&end
#
# 19 MET QG 0 AMBIG 468 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= 297, 298,
igr2= 791, 792, 135, 136,
&end
#
# 19 MET QG 0 AMBIG 469 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= 297, 298,
igr2= 730, 731, 732, 245, 246,1871,
&end
#
# 19 MET QG 0 AMBIG 470 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= 297, 298,
igr2=1940,1941,1942,1947,1948,1949, 301, 302, 303,
&end
#
# 23 TRP QB 0 AMBIG 471 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=2002,2003,1955,1956,
&end
#
# 23 TRP QB 0 AMBIG 472 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=2002,2003,1955,1956,
&end
#
# 82 CYS QB 0 AMBIG 473 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=1239,1240,
igr2=1547,1516,
&end
#
# 82 CYS QB 0 AMBIG 474 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=1239,1240,
igr2=1547,1516,
&end
#
# 117 TRP QB 0 AMBIG 475 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=1756,1757,
igr2=1760, 721, 722,
&end
#
# 117 TRP QB 0 AMBIG 476 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=1756,1757,
igr2=1760, 721, 722,
&end
#
# 15 CYS QB 0 AMBIG 477 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= 231, 232,
igr2= 248, 249, 220, 221,
&end
#
# 15 CYS QB 0 AMBIG 478 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= 231, 232,
igr2= 248, 249, 220, 221,
&end
#
# 15 CYS QB 0 AMBIG 479 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= 730, 731, 732, 245, 246,
&end
#
# 15 CYS QB 0 AMBIG 480 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= 231, 232,
igr2=1593,1594, 245, 246,
&end
#
# 15 CYS QB 0 AMBIG 481 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= 231, 232,
igr2=1593,1594, 245, 246,
&end
#
# 137 THR HB 0 AMBIG 482 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=2103, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=2043,2044,2088,2089,2046,2047,
&end
#
# 80 THR HB 0 AMBIG 483 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1216,1235,
&end
#
# 80 THR HB 0 AMBIG 484 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1279,1280,1281, 155, 156,
&end
#
# 80 THR HB 0 AMBIG 485 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 46 PRO HA 0 AMBIG 486 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 738, 765, 766,
&end
#
# 46 PRO HA 0 AMBIG 487 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 752, 684,
&end
#
# 137 THR HA 0 AMBIG 488 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=2043,2044,2046,2047,
&end
#
# 112 THR HA 0 AMBIG 489 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1671,1700,
&end
#
# 59 ILE HA 0 AMBIG 490 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr2= 742, 743, 744, 746, 747, 748, 865,
&end
#
# 59 ILE HA 0 AMBIG 491 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= 896, 943, 944,
&end
#
# 34 VAL HA 0 AMBIG 492 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 493 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1527,2066,
&end
#
# 134 PHE HA 0 AMBIG 494 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2054,2099,
&end
#
# 119 PHE HA 0 AMBIG 495 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=1926,1927,1923,1924,
&end
#
# 114 GLU- HA 0 AMBIG 496 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1702, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1707,1708,1692,1693,
&end
#
# 63 THR HA 0 AMBIG 497 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 913, 915, 916,
&end
#
# 63 THR HA 0 AMBIG 498 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 967, 953,
&end
#
# 23 TRP HA 0 AMBIG 499 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr2=2007,2008,2009,2011,2012,2013, 844, 845, 846, 848,
849, 850, 898, 899, 900,
&end
#
# 23 TRP HA 0 AMBIG 500 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
igr2= 383, 384, 440,
&end
#
# 23 TRP HA 0 AMBIG 501 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= 399, 400, 402, 403,
&end
#
# 23 TRP HA 0 AMBIG 502 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 343, 344, 343, 344,
&end
#
# 55 VAL HA 0 AMBIG 503 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 854, 861,
&end
#
# 50 LYS+ HA 0 AMBIG 504 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 754, -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+ HA 0 AMBIG 505 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
#
# 50 LYS+ HA 0 AMBIG 506 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 791, 792, 884, 885,
&end
#
# 31 GLU- HA 0 AMBIG 507 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 475, 476, 475, 476, 478, 479,
&end
#
# 125 ASP- HA 0 AMBIG 508 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1940,1941,1942,1947,1948,1949,
&end
#
# 10 CYS HA 0 AMBIG 509 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 10 CYS HA 0 AMBIG 510 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1216,1235,
&end
#
# 10 CYS HA 0 AMBIG 511 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 181, 170,
&end
#
# 97 LYS+ HA 0 AMBIG 512 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1426,1427,1428,1430,1431,1432,1160,1161,1162,1164,
1165,1166,1176,1177,1178,1180,1181,1182,
&end
#
# 92 THR HA 0 AMBIG 513 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1424,1334,1335,
&end
#
# 92 THR HA 0 AMBIG 514 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
1431,1432,
&end
#
# 2 GLU- HA 0 AMBIG 515 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 25, 26, 475, 476,
&end
#
# 91 MET HA 0 AMBIG 516 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1346, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1355,1356,1357,1367,1368,1369,
&end
#
# 88 LYS+ HA 0 AMBIG 517 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1307,1308,1304,1305,
&end
#
# 90 PRO QD 0 AMBIG 518 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=1331,1332,
igr2=1299,1346,
&end
#
# 88 LYS+ HA 0 AMBIG 519 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1337,1338, 601,
&end
#
# 51 ALA QB 0 AMBIG 520 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 521 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= 830, 831,1887,1888,
&end
#
# 51 ALA HA 0 AMBIG 522 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 830, 831,1893,1894,
&end
#
# 51 ALA HN 0 AMBIG 523 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 HN 0 AMBIG 524 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= 714, 786,
&end
#
# 47 ASN HA 0 AMBIG 525 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 714, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 716, 717, 759, 760,
&end
#
# 52 MET HA 0 AMBIG 526 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 827, 828, 896,
&end
#
# 52 MET HA 0 AMBIG 527 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1887,1888, 830, 831,
&end
#
# 52 MET HA 0 AMBIG 528 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=1893,1894, 842,
&end
#
# 4 LYS+ HA 0 AMBIG 529 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 57, 58, 85, 86, 87,
&end
#
# 73 ASN HA 0 AMBIG 530 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
1096,1097,
&end
#
# 73 ASN HA 0 AMBIG 531 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1103, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1082,1151,
&end
#
# 118 ALA HA 0 AMBIG 532 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr2=1833,1834,1850,1851,
&end
#
# 118 ALA HA 0 AMBIG 533 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1826,1786,
&end
#
# 110 GLN HA 0 AMBIG 534 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1649, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1654,1655,1654,1655,
&end
#
# 33 LYS+ HA 0 AMBIG 535 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 512, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 520, 521, 520, 521,
&end
#
# 107 ALA HA 0 AMBIG 536 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1607,1608,1609,1740,1741,
&end
#
# 5 ILE HA 0 AMBIG 537 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 78, 79, 80, 85, 86, 87,
&end
#
# 5 ILE HA 0 AMBIG 538 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 514, 515, 76,
&end
#
# 5 ILE HA 0 AMBIG 539 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1139, 548,
&end
#
# 5 ILE HA 0 AMBIG 540 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 510, 72,
&end
#
# 80 THR HA 0 AMBIG 541 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1204, -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
#
# 80 THR HA 0 AMBIG 542 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 155, 156,1208,1209,1210,
&end
#
# 66 ILE HA 0 AMBIG 543 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1000,1001, 584, 585, 586,
&end
#
# 66 ILE HA 0 AMBIG 544 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 990, 631,
&end
#
# 6 ILE HA 0 AMBIG 545 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2=1426,1427,1428,1430,1431,1432, 60, 61,
&end
#
# 6 ILE HA 0 AMBIG 546 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1139, 548,
&end
#
# 8 PHE HA 0 AMBIG 547 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1208,1209,1210,1158, 160, 161, 162, 164, 165, 166,
&end
#
# 32 TRP HA 0 AMBIG 548 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 478, 479, 25, 26,
&end
#
# 32 TRP HA 0 AMBIG 549 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr2= 57, 58, 85, 86, 87, 97, 98, 99, 538, 539,
540, 542, 543, 544,
&end
#
# 35 TYR HA 0 AMBIG 550 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 81 LEU HA 0 AMBIG 551 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1220,1221,1223,
&end
#
# 81 LEU HA 0 AMBIG 552 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1216,1235,
&end
#
# 98 ARG+ HA 0 AMBIG 553 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1176,1177,1178,1180,1181,1182,1160,1161,1162,1164,
1165,1166,
&end
#
# 98 ARG+ HA 0 AMBIG 554 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1462,1463,1462,1463,
&end
#
# 98 ARG+ HA 0 AMBIG 555 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1174,1424,
&end
#
# 9 LEU HA 0 AMBIG 556 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 153, -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
#
# 9 LEU HA 0 AMBIG 557 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 160, 161, 162, 164, 165, 166, 155, 156,
&end
#
# 45 ASN HA 0 AMBIG 558 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 702, 703, 716, 717,
&end
#
# 7 TYR HA 0 AMBIG 559 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2=1176,1177,1178,1180,1181,1182,1160,1161,1162,1164,
1165,1166,
&end
#
# 7 TYR HA 0 AMBIG 560 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 101, 102, 97, 98, 99, 538, 539, 540, 542, 543,
544,
&end
#
# 7 TYR HA 0 AMBIG 561 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1133,1134,1135,1190,
&end
#
# 13 ASN HA 0 AMBIG 562 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2= 982, 983, 135, 136,
&end
#
# 36 SER HA 0 AMBIG 563 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 104, 105, 106, 160, 161, 162, 164, 165, 166,
&end
#
# 36 SER HA 0 AMBIG 564 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 321, 322, 324, 325,
&end
#
# 36 SER HA 0 AMBIG 565 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 112, 153,
&end
#
# 36 SER HA 0 AMBIG 566 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 131, 580,
&end
#
# 89 CYS QB 0 AMBIG 567 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=1323,1324,
igr2=1176,1177,1178,1180,1181,1182,1015,1016,1017,
&end
#
# 89 CYS QB 0 AMBIG 568 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=1323,1324,
igr2=1176,1177,1178,1180,1181,1182,1015,1016,1017,
&end
#
# 89 CYS QB 0 AMBIG 569 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=1323,1324,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 89 CYS QB 0 AMBIG 570 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=1323,1324,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 10 CYS QB 0 AMBIG 571 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 174, 175,
igr2= 155, 156, 187, 188, 189,
&end
#
# 10 CYS QB 0 AMBIG 572 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= 174, 175,
igr2= 181, 170,
&end
#
# 55 VAL HB 0 AMBIG 573 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 844, 845, 846, 848, 849, 850, 871, 872,
&end
#
# 55 VAL HB 0 AMBIG 574 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 861, 854,
&end
#
# 32 TRP QB 0 AMBIG 575 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= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 32 TRP QB 0 AMBIG 576 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= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 32 TRP QB 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= 490, 491,
igr2= 367, 368, 369, 514, 515, 440,
&end
#
# 32 TRP QB 0 AMBIG 578 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= 490, 491,
igr2= 367, 368, 369, 514, 515, 440,
&end
#
# 32 TRP QB 0 AMBIG 579 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= 490, 491,
igr2= 437, 438, 475, 476, 475, 476,
&end
#
# 32 TRP QB 0 AMBIG 580 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= 490, 491,
igr2= 437, 438, 475, 476, 475, 476,
&end
#
# 126 GLU- QG 0 AMBIG 581 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=1926,1927,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 54 GLU- QG 0 AMBIG 582 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= 830, 831,
igr2= 778, 779, 780, 808, 809,
&end
#
# 54 GLU- QG 0 AMBIG 583 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 830, 831,
igr2= 778, 779, 780, 808, 809,
&end
#
# 114 GLU- QG 0 AMBIG 584 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=1707,1708,
igr2=1704,1705,1689,1690,
&end
#
# 115 GLU- QG 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=1722,1723,
igr2=1715,1786,
&end
#
# 115 GLU- QG 0 AMBIG 586 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1722,1723,
igr2=1780,1781,1782,1740,1741,
&end
#
# 115 GLU- QG 0 AMBIG 587 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1722,1723,
igr2=1677,1678,1679,1737,1738,
&end
#
# 129 ASN QB 0 AMBIG 588 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=1964,1965,
igr2=2043,2044,2002,2003,
&end
#
# 129 ASN QB 0 AMBIG 589 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=1964,1965,
igr2=2043,2044,2002,2003,
&end
#
# 129 ASN QB 0 AMBIG 590 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=1964,1965,
igr2=2021,2022,1938,
&end
#
# 129 ASN QB 0 AMBIG 591 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=1964,1965,
igr2=2021,2022,1938,
&end
#
# 73 ASN QB 0 AMBIG 592 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=1105,1106,
igr2=1426,1427,1428,1430,1431,1432,1091,1092,1093,1095,
1096,1097,
&end
#
# 73 ASN QB 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=1105,1106,
igr2=1424,1334,1335,1086,1087,
&end
#
# 73 ASN QB 0 AMBIG 594 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=1105,1106,
igr2=1129,1063,
&end
#
# 3 ASN QB 0 AMBIG 595 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 40, 41,
igr2= 57, 58, 85, 86, 87,
&end
#
# 3 ASN QB 0 AMBIG 596 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 40, 41,
igr2= 57, 58, 85, 86, 87,
&end
#
# 3 ASN QB 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= 40, 41,
igr2= 510, 72,
&end
#
# 3 ASN QB 0 AMBIG 598 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= 40, 41,
igr2= 510, 72,
&end
#
# 27 TYR QB 0 AMBIG 599 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=2078,2079,2080,2002,2003,
&end
#
# 74 ASN QB 0 AMBIG 600 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=1119,1120,
igr2= 85, 86, 87, 78, 79, 80,
&end
#
# 74 ASN QB 0 AMBIG 601 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=1119,1120,
igr2= 85, 86, 87, 78, 79, 80,
&end
#
# 76 ASP- QB 0 AMBIG 602 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=1143,1144,
igr2= 57, 58, 85, 86, 87,
&end
#
# 104 ASP- QB 0 AMBIG 603 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=1569,1570,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 104 ASP- QB 0 AMBIG 604 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=1569,1570,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 68 ASP- QB 0 AMBIG 605 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=1032,1033,
igr2=1082, 990,
&end
#
# 68 ASP- QB 0 AMBIG 606 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=1032,1033,
igr2=1082, 990,
&end
#
# 33 LYS+ QE 0 AMBIG 607 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= 523, 524,
igr2= 85, 86, 87, 538, 539, 540, 542, 543, 544,
&end
#
# 88 LYS+ QE 0 AMBIG 608 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=1310,1311,
igr2=1307,1308,1304,1305,
&end
#
# 124 ARG+ QD 0 AMBIG 609 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=1893,1894,
igr2= 827, 828, 294, 295,
&end
#
# 124 ARG+ QD 0 AMBIG 610 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=1893,1894,
igr2= 354, 823,
&end
#
# 35 TYR QB 0 AMBIG 611 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= 552, 553,
igr2= 78, 79, 80, 538, 539, 540, 542, 543, 544, 97,
98, 99,
&end
#
# 132 LYS+ HA 0 AMBIG 612 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1962,1976,
&end
#
# 132 LYS+ HA 0 AMBIG 613 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=2019, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1998, 412,
&end
#
# 127 ILE HA 0 AMBIG 614 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1998,1960,
&end
#
# 128 GLY QA 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=1955,1956,
igr2=1909, 341,
&end
#
# 128 GLY QA 0 AMBIG 616 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=1955,1956,
igr2=2000,1976,
&end
#
# 128 GLY QA 0 AMBIG 617 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=1955,1956,
igr2=1960,1998,
&end
#
# 128 GLY QA 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=1955,1956,
igr2=2017,1934,
&end
#
# 72 LEU QB 0 AMBIG 619 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1086,1087,
igr2=1032,1033,1105,1106,
&end
#
# 72 LEU QB 0 AMBIG 620 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1086,1087,
igr2= 155, 156,1073,1074,
&end
#
# 5 ILE HB 0 AMBIG 621 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= 78, 79, 80, 85, 86, 87,
&end
#
# 4 LYS+ QE 0 AMBIG 622 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= 63, 64,
igr2= 475, 476,1440,1441,
&end
#
# 7 TYR QB 0 AMBIG 623 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= 114, 115,
igr2= 110,1186,
&end
#
# 28 LEU QB 0 AMBIG 624 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= 437, 438,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 28 LEU QB 0 AMBIG 625 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= 437, 438,
igr2= 538, 539, 540, 542, 543, 544, 97, 98, 99,
&end
#
# 28 LEU QB 0 AMBIG 626 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= 437, 438,
igr2= 440, 367, 368, 369,
&end
#
# 28 LEU QB 0 AMBIG 627 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= 437, 438,
igr2= 440, 367, 368, 369,
&end
#
# 6 ILE HB 0 AMBIG 628 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 101, 102, 97, 98, 99,
&end
#
# 120 PHE QB 0 AMBIG 629 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=1810,1811,
igr2=1830,1831, 716, 717,
&end
#
# 66 ILE HB 0 AMBIG 630 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 996, 997, 998,1003,1004,1005,
&end
#
# 66 ILE HB 0 AMBIG 631 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, 631,
&end
#
# 59 ILE HB 0 AMBIG 632 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 898, 899, 900, 674, 675, 676, 678, 679, 680,
&end
#
# 39 ILE HB 0 AMBIG 633 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 599, 197, 198,
&end
#
# 115 GLU- QG 0 AMBIG 634 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=1722,1723,
igr2=1715,1786,
&end
#
# 115 GLU- QG 0 AMBIG 635 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1722,1723,
igr2=1780,1781,1782,1740,1741,
&end
#
# 115 GLU- QG 0 AMBIG 636 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1722,1723,
igr2=1677,1678,1679,1737,1738,
&end
#
# 99 GLU- QG 0 AMBIG 637 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=1489,1490,
igr2=2066,1527,
&end
#
# 99 GLU- QG 0 AMBIG 638 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=1489,1490,
igr2=1497,1170,
&end
#
# 78 VAL HB 0 AMBIG 639 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1174, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1186, 110,
&end
#
# 78 VAL HB 0 AMBIG 640 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=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
1431,1432,
&end
#
# 33 LYS+ QB 0 AMBIG 641 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= 514, 515,
igr2= 85, 86, 87, 78, 79, 80,
&end
#
# 50 LYS+ QB 0 AMBIG 642 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= 756, 757,
igr2= 708, 728,
&end
#
# 19 MET QB 0 AMBIG 643 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, 905, 906, 907,
&end
#
# 110 GLN QG 0 AMBIG 644 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=1654,1655,
igr2=1740,1741,1617,1618,
&end
#
# 110 GLN QG 0 AMBIG 645 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=1654,1655,
igr2=1740,1741,1617,1618,
&end
#
# 96 VAL HB 0 AMBIG 646 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1424, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1361,1151,
&end
#
# 123 VAL HB 0 AMBIG 647 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1871, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 90 PRO QB 0 AMBIG 648 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=1337,1338,
igr2=1044,1045,1044,1045,
&end
#
# 49 VAL QQG 0 AMBIG 649 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= 742, 743, 744, 746, 747, 748,
igr2= 805, 806, 705, 706,
&end
#
# 90 PRO QB 0 AMBIG 650 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=1337,1338,
igr2=1044,1045,1044,1045,
&end
#
# 49 VAL HB 0 AMBIG 651 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
#
# 53 LYS+ QB 0 AMBIG 652 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= 805, 806,
igr2= 776, 708, 728,
&end
#
# 54 GLU- QB 0 AMBIG 653 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 827, 828,
igr2= 808, 809, 778, 779, 780,
&end
#
# 21 GLU- QB 0 AMBIG 654 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= 321, 322,
igr2= 573, 574, 319,
&end
#
# 52 MET QB 0 AMBIG 655 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= 788, 789,
igr2= 896, 740,
&end
#
# 25 LYS+ QD 0 AMBIG 656 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= 383, 384,
igr2= 377, 378, 536,
&end
#
# 81 LEU HG 0 AMBIG 657 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1947,1948,1949,1940,1941,1942,
&end
#
# 24 ALA QB 0 AMBIG 658 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 659 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= 367, 368, 369,
igr2= 343, 344, 343, 344, 416, 417,
&end
#
# 24 ALA QB 0 AMBIG 660 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= 367, 368, 369,
igr2= 395, 494,
&end
#
# 48 ALA QB 0 AMBIG 661 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= 301, 302, 303, 905, 906, 907,
&end
#
# 48 ALA QB 0 AMBIG 662 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, 716, 717,
&end
#
# 48 ALA QB 0 AMBIG 663 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= 730, 731, 732,
igr2= 688, 689, 791, 792,
&end
#
# 48 ALA QB 0 AMBIG 664 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= 730, 731, 732,
igr2= 292, 699, 700,
&end
#
# 48 ALA QB 0 AMBIG 665 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= 730, 731, 732,
igr2= 684, 752,
&end
#
# 107 ALA QB 0 AMBIG 666 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=1607,1608,1609,
igr2=1590,1591, 220, 221,
&end
#
# 85 ALA QB 0 AMBIG 667 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=1269,1270,1271,
igr2= 181, 170,
&end
#
# 85 ALA QB 0 AMBIG 668 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=1269,1270,1271,
igr2=1235,1216,
&end
#
# 85 ALA QB 0 AMBIG 669 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1269,1270,1271,
igr2= 160, 161, 162, 164, 165, 166,1208,1209,1210, 155,
156,
&end
#
# 118 ALA QB 0 AMBIG 670 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=1780,1781,1782,
igr2=1756,1757,1790,1791,
&end
#
# 118 ALA QB 0 AMBIG 671 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=1780,1781,1782,
igr2=1722,1723,1707,1708,
&end
#
# 118 ALA QB 0 AMBIG 672 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=1780,1781,1782,
igr2=1830,1831,1719,1720,1704,1705,
&end
#
# 77 LEU QB 0 AMBIG 673 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
igr1=1155,1156,
igr2= 101, 102, 57, 58,
&end
#
# 77 LEU QB 0 AMBIG 674 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= 95,1446,1447,
&end
#
# 77 LEU QB 0 AMBIG 675 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=1155,1156,
igr2= 110,1458,
&end
#
# 57 ILE HB 0 AMBIG 676 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
#
# 57 ILE HB 0 AMBIG 677 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 803, 292,
&end
#
# 67 ILE HB 0 AMBIG 678 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
&end
#
# 67 ILE HB 0 AMBIG 679 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 996, 997, 998, 603, 604, 605,
&end
#
# 67 ILE HB 0 AMBIG 680 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 584, 585, 586,1000,1001,
&end
#
# 67 ILE HB 0 AMBIG 681 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 994,1301,1302,
&end
#
# 127 ILE HB 0 AMBIG 682 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1940,1941,1942,1947,1948,1949,
&end
#
# 127 ILE HB 0 AMBIG 683 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
igr2=2002,2003,1981,1982,
&end
#
# 79 VAL HB 0 AMBIG 684 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1190, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2=1225,1226,1227,1229,1230,1231,1160,1161,1162,1164,
1165,1166,1176,1177,1178,1180,1181,1182,
&end
#
# 106 PRO QB 0 AMBIG 685 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=1596,1597,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 50 LYS+ QD 0 AMBIG 686 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= 762, 763,
igr2= 756, 757, 805, 806, 705, 706,
&end
#
# 50 LYS+ QD 0 AMBIG 687 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= 762, 763,
igr2= 756, 757, 805, 806, 705, 706,
&end
#
# 67 ILE QG1 0 AMBIG 688 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=1019,1020,
igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
&end
#
# 5 ILE QG1 0 AMBIG 689 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
#
# 5 ILE QG1 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= 82, 83,
igr2= 72, 510,
&end
#
# 33 LYS+ QD 0 AMBIG 691 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= 520, 521,
igr2= 510, 72,
&end
#
# 33 LYS+ QD 0 AMBIG 692 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= 520, 521,
igr2= 510, 72,
&end
#
# 81 LEU QQD 0 AMBIG 693 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=1225,1226,1227,1229,1230,1231,
igr2=1978,1979,1486,1487,
&end
#
# 81 LEU QQD 0 AMBIG 694 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=1225,1226,1227,1229,1230,1231,
igr2=1220,1221,1223,
&end
#
# 81 LEU QQD 0 AMBIG 695 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=1225,1226,1227,1229,1230,1231,
igr2=1216,1235,
&end
#
# 81 LEU QQD 0 AMBIG 696 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=1225,1226,1227,1229,1230,1231,
igr2= 307, 170,
&end
#
# 106 PRO QG 0 AMBIG 697 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=1593,1594,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 106 PRO QG 0 AMBIG 698 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=1593,1594,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 106 PRO QG 0 AMBIG 699 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=1593,1594,
igr2= 245, 246, 730, 731, 732,
&end
#
# 106 PRO QG 0 AMBIG 700 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=1593,1594,
igr2=1808, 240,
&end
#
# 66 ILE QG1 0 AMBIG 701 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=1000,1001,
igr2= 990, 631,
&end
#
# 66 ILE QG1 0 AMBIG 702 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=1000,1001,
igr2= 990, 631,
&end
#
# 98 ARG+ QG 0 AMBIG 703 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=1465,1466,
igr2=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
1431,1432,
&end
#
# 25 LYS+ QG 0 AMBIG 704 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= 380, 381,
igr2= 377, 378, 536,
&end
#
# 127 ILE QG1 0 AMBIG 705 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=1944,1945,
igr2=1936,1984,1985,
&end
#
# 50 LYS+ QG 0 AMBIG 706 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= 759, 760,
igr2= 756, 757, 805, 806,
&end
#
# 81 LEU QQD 0 AMBIG 707 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=1225,1226,1227,1229,1230,1231,
igr2=1220,1221,1223,
&end
#
# 81 LEU QQD 0 AMBIG 708 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=1225,1226,1227,1229,1230,1231,
igr2=1947,1948,1949,1940,1941,1942,
&end
#
# 37 ALA QB 0 AMBIG 709 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= 584, 585, 586,
igr2= 170, 202,
&end
#
# 37 ALA QB 0 AMBIG 710 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=1019,1020,1086,1087,
&end
#
# 123 VAL QQG 0 AMBIG 711 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=1873,1874,1875,1877,1878,1879,
igr2=1579,1567,
&end
#
# 123 VAL QQG 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=1873,1874,1875,1877,1878,1879,
igr2= 248, 249,1599,
&end
#
# 123 VAL QQG 0 AMBIG 713 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=1873,1874,1875,1877,1878,1879,
igr2= 240,1808,
&end
#
# 123 VAL QQG 0 AMBIG 714 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=1873,1874,1875,1877,1878,1879,
igr2=1938,1850,1851,
&end
#
# 123 VAL QQG 0 AMBIG 715 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=1873,1874,1875,1877,1878,1879,
igr2=1947,1948,1949, 301, 302, 303,
&end
#
# 72 LEU QQD 0 AMBIG 716 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=1091,1092,1093,1095,1096,1097,
igr2=1086,1087,1334,1335,
&end
#
# 72 LEU QQD 0 AMBIG 717 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
igr1=1091,1092,1093,1095,1096,1097,
igr2=1133,1134,1135,1465,1466, 155, 156,
&end
#
# 72 LEU QQD 0 AMBIG 718 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1091,1092,1093,1095,1096,1097,
igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
&end
#
# 44 LEU QQD 0 AMBIG 719 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= 936, 736,
&end
#
# 44 LEU QQD 0 AMBIG 720 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= 674, 675, 676, 678, 679, 680,
igr2= 913, 915, 916,
&end
#
# 44 LEU QQD 0 AMBIG 721 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= 674, 675, 676, 678, 679, 680,
igr2= 896, 943, 944,
&end
#
# 77 LEU QQD 0 AMBIG 722 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=1458, 110,
&end
#
# 77 LEU QQD 0 AMBIG 723 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= 503,2064,2068,
&end
#
# 77 LEU QQD 0 AMBIG 724 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=1160,1161,1162,1164,1165,1166,
igr2=1484,2056,
&end
#
# 77 LEU QQD 0 AMBIG 725 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=1160,1161,1162,1164,1165,1166,
igr2= 95,1446,1447,
&end
#
# 78 VAL QQG 0 AMBIG 726 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
igr1=1176,1177,1178,1180,1181,1182,
igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
&end
#
# 78 VAL QQG 0 AMBIG 727 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=1176,1177,1178,1180,1181,1182,
igr2=1465,1466, 155, 156,
&end
#
# 78 VAL QQG 0 AMBIG 728 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=1176,1177,1178,1180,1181,1182,
igr2=1174,1086,1087,
&end
#
# 78 VAL QQG 0 AMBIG 729 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=1176,1177,1178,1180,1181,1182,
igr2= 112, 153,
&end
#
# 78 VAL QQG 0 AMBIG 730 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=1176,1177,1178,1180,1181,1182,
igr2=1151,1082,1319,
&end
#
# 92 THR QG2 0 AMBIG 731 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=1367,1368,1369,
igr2=1424,1174,
&end
#
# 92 THR QG2 0 AMBIG 732 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1367,1368,1369,
igr2=1091,1092,1093,1095,1096,1097,1426,1427,1428,1430,
1431,1432,1176,1177,1178,1180,1181,1182,
&end
#
# 8 PHE HA 0 AMBIG 733 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= 133, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1208,1209,1210,1158, 160, 161, 162, 164, 165, 166,
&end
#
# 79 VAL HA 0 AMBIG 734 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1208,1209,1210,1158,
&end
#
# 89 CYS HA 0 AMBIG 735 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 160, 161, 162, 164, 165, 166,1208,1209,1210,
&end
#
# 80 THR HB 0 AMBIG 736 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 89 CYS QB 0 AMBIG 737 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=1323,1324,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 89 CYS QB 0 AMBIG 738 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=1323,1324,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 9 LEU QB 0 AMBIG 739 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= 155, 156,
igr2=1208,1209,1210, 160, 161, 162, 164, 165, 166,
&end
#
# 9 LEU HG 0 AMBIG 740 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 160, 161, 162, 164, 165, 166,1208,1209,1210,
&end
#
# 49 VAL QQG 0 AMBIG 741 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= 742, 743, 744, 746, 747, 748,
igr2= 752, 684,
&end
#
# 49 VAL QQG 0 AMBIG 742 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= 742, 743, 744, 746, 747, 748,
igr2= 726, 784,
&end
#
# 49 VAL QQG 0 AMBIG 743 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= 742, 743, 744, 746, 747, 748,
igr2= 894, 714,
&end
#
# 49 VAL QQG 0 AMBIG 744 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= 742, 743, 744, 746, 747, 748,
igr2= 915, 916, 913,
&end
#
# 49 VAL QQG 0 AMBIG 745 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= 742, 743, 744, 746, 747, 748,
igr2= 940, 941, 702, 703,
&end
#
# 49 VAL QQG 0 AMBIG 746 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 805, 806, 756, 757, 705, 706, 277, 278,
&end
#
# 49 VAL QQG 0 AMBIG 747 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 730, 731, 732, 788, 789,
&end
#
# 49 VAL QQG 0 AMBIG 748 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= 742, 743, 744, 746, 747, 748,
igr2= 669, 670, 808, 809,
&end
#
# 49 VAL QQG 0 AMBIG 749 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= 742, 743, 744, 746, 747, 748,
igr2= 672, 808, 809,
&end
#
# 63 THR QG2 0 AMBIG 750 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= 959, 960, 961,
igr2= 953, 967,
&end
#
# 63 THR QG2 0 AMBIG 751 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 752 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=1677,1678,1679,
igr2=1719,1720,1722,1723,
&end
#
# 55 VAL QQG 0 AMBIG 753 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= 844, 845, 846, 848, 849, 850,
igr2= 861, 854,
&end
#
# 55 VAL QQG 0 AMBIG 754 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= 838, 407, 408,
&end
#
# 55 VAL QQG 0 AMBIG 755 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=1893,1894, 842,
&end
#
# 49 VAL QQG 0 AMBIG 756 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= 742, 743, 744, 746, 747, 748,
igr2= 752, 684,
&end
#
# 49 VAL QQG 0 AMBIG 757 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= 742, 743, 744, 746, 747, 748,
igr2= 726, 784,
&end
#
# 49 VAL QQG 0 AMBIG 758 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= 742, 743, 744, 746, 747, 748,
igr2= 915, 916, 913,
&end
#
# 49 VAL QQG 0 AMBIG 759 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= 742, 743, 744, 746, 747, 748,
igr2= 688, 689, 791, 792, 884, 885,
&end
#
# 49 VAL QQG 0 AMBIG 760 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 742, 743, 744, 746, 747, 748,
igr2= 805, 806, 756, 757, 705, 706, 277, 278,
&end
#
# 137 THR QG2 0 AMBIG 761 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=2105,2106,2107,
igr2=2091,2092,2046,2047,
&end
#
# 137 THR QG2 0 AMBIG 762 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=2105,2106,2107,
igr2=2088,2089,2046,2047,
&end
#
# 78 VAL QQG 0 AMBIG 763 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=1176,1177,1178,1180,1181,1182,
igr2=1465,1466, 155, 156,
&end
#
# 78 VAL QQG 0 AMBIG 764 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
igr1=1176,1177,1178,1180,1181,1182,
igr2=1208,1209,1210, 155, 156, 160, 161, 162, 164, 165,
166,
&end
#
# 78 VAL QQG 0 AMBIG 765 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
igr1=1176,1177,1178,1180,1181,1182,
igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
&end
#
# 34 VAL QQG 0 AMBIG 766 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= 538, 539, 540, 542, 543, 544,
igr2= 91, 363,
&end
#
# 34 VAL QQG 0 AMBIG 767 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= 538, 539, 540, 542, 543, 544,
igr2= 395, 494,
&end
#
# 41 ALA QB 0 AMBIG 768 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= 635, 636, 637,
igr2= 631, 990,
&end
#
# 109 ALA QB 0 AMBIG 769 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=1641,1642,1643,
igr2=1730,1577,
&end
#
# 109 ALA QB 0 AMBIG 770 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=1641,1642,1643,
igr2=1806,1867,
&end
#
# 109 ALA QB 0 AMBIG 771 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=1641,1642,1643,
igr2=1786,1826,
&end
#
# 109 ALA QB 0 AMBIG 772 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=1641,1642,1643,
igr2=1605,1788,
&end
#
# 66 ILE QG2 0 AMBIG 773 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= 996, 997, 998,
igr2= 990, 631,
&end
#
# 66 ILE QG2 0 AMBIG 774 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= 996, 997, 998,
igr2= 599, 197, 198,
&end
#
# 59 ILE QG2 0 AMBIG 775 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= 936, 736,
&end
#
# 59 ILE QG2 0 AMBIG 776 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= 896, 943, 944,
&end
#
# 86 ALA QB 0 AMBIG 777 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=1279,1280,1281,
igr2=1235,1216,
&end
#
# 86 ALA QB 0 AMBIG 778 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=1279,1280,1281,
igr2=1277,1248,1249,
&end
#
# 39 ILE QG2 0 AMBIG 779 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= 603, 604, 605,
igr2= 601, 623, 624,
&end
#
# 39 ILE QG2 0 AMBIG 780 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= 603, 604, 605,
igr2=1301,1302, 994,
&end
#
# 5 ILE QG2 0 AMBIG 781 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= 78, 79, 80,
igr2= 510, 72,
&end
#
# 5 ILE QG2 0 AMBIG 782 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= 78, 79, 80,
igr2=1139, 548,
&end
#
# 5 ILE QG2 0 AMBIG 783 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= 110, 36,
&end
#
# 5 ILE QG2 0 AMBIG 784 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= 78, 79, 80,
igr2= 552, 553,1119,1120,
&end
#
# 5 ILE QG2 0 AMBIG 785 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= 78, 79, 80,
igr2= 514, 515, 76,
&end
#
# 51 ALA QB 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= 778, 779, 780,
igr2=1806,1867,
&end
#
# 51 ALA QB 0 AMBIG 787 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 788 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= 778, 779, 780,
igr2= 294, 295,1830,1831, 788, 789, 716, 717,
&end
#
# 51 ALA QB 0 AMBIG 789 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= 778, 779, 780,
igr2= 844, 845, 846, 848, 849, 850, 902, 903,
&end
#
# 67 ILE QG2 0 AMBIG 790 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=1042, 183,
&end
#
# 67 ILE QG2 0 AMBIG 791 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=1032,1033, 206, 207,
&end
#
# 67 ILE QG2 0 AMBIG 792 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=1015,1016,1017,
igr2=1334,1335,1086,1087,
&end
#
# 6 ILE QG2 0 AMBIG 793 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= 510, 72,
&end
#
# 5 ILE QD1 0 AMBIG 794 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= 85, 86, 87,
igr2= 72, 510,
&end
#
# 5 ILE QD1 0 AMBIG 795 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= 85, 86, 87,
igr2= 514, 515, 76,
&end
#
# 66 ILE QD1 0 AMBIG 796 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=1003,1004,1005,
igr2= 990, 631,
&end
#
# 39 ILE QD1 0 AMBIG 797 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= 610, 611, 612,
igr2=1319, 616,
&end
#
# 39 ILE QD1 0 AMBIG 798 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= 610, 611, 612,
igr2= 174, 175,1206,
&end
#
# 39 ILE QD1 0 AMBIG 799 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= 610, 611, 612,
igr2=1301,1302, 607, 608,
&end
#
# 4 LYS+ QB 0 AMBIG 800 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= 72, 510,
&end
#
# 4 LYS+ QB 0 AMBIG 801 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= 72, 510,
&end
#
# 4 LYS+ QB 0 AMBIG 802 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= 54, 55,
igr2= 490, 491,1143,1144,
&end
#
# 4 LYS+ QB 0 AMBIG 803 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= 54, 55,
igr2= 40, 41,1143,1144,
&end
#
# 67 ILE QG1 0 AMBIG 804 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=1019,1020,
igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
&end
#
# 67 ILE QG1 0 AMBIG 805 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1019,1020,
igr2= 584, 585, 586,1000,1001,
&end
#
# 71 ILE QG1 0 AMBIG 806 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=1073,1074,
igr2=1032,1033,1055,1056,
&end
#
# 77 LEU QQD 0 AMBIG 807 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=1160,1161,1162,1164,1165,1166,
igr2= 101, 102, 57, 58,
&end
#
# 77 LEU QQD 0 AMBIG 808 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= 95,1446,1447,
&end
#
# 77 LEU QQD 0 AMBIG 809 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=1160,1161,1162,1164,1165,1166,
igr2= 503,2064,2068,
&end
#
# 9 LEU HG 0 AMBIG 810 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1091,1092,1093,1095,1096,1097,1176,1177,1178,1180,
1181,1182,1015,1016,1017,1225,1226,1227,1229,1230,
1231,
&end
#
# 9 LEU HG 0 AMBIG 811 1.8 2.8
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 160, 161, 162, 164, 165, 166, 155, 156,1208,1209,
1210,
&end
#
# 9 LEU HG 0 AMBIG 812 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1086,1087,1174,
&end
#
# 28 LEU QQD 0 AMBIG 813 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= 433,2074,
&end
#
# 28 LEU QQD 0 AMBIG 814 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= 442, 443, 444, 446, 447, 448,
igr2= 367, 368, 369, 440,
&end
#
# 28 LEU QQD 0 AMBIG 815 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 442, 443, 444, 446, 447, 448,
igr2= 97, 98, 99, 538, 539, 540, 542, 543, 544,
&end
#
# 44 LEU QQD 0 AMBIG 816 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= 674, 675, 676, 678, 679, 680,
igr2= 896, 943, 944,
&end
#
# 44 LEU QQD 0 AMBIG 817 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= 913, 915, 916,
&end
#
# 44 LEU QQD 0 AMBIG 818 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= 674, 675, 676, 678, 679, 680,
igr2= 971, 972, 915, 916,
&end
#
# 44 LEU QQD 0 AMBIG 819 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= 708, 938,
&end
#
# 44 LEU QQD 0 AMBIG 820 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= 708, 938,
&end
#
# 44 LEU QQD 0 AMBIG 821 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= 936, 736,
&end
#
# 67 ILE HA 0 AMBIG 822 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1022,1023,1024, 160, 161, 162, 164, 165, 166,
&end
#
# 39 ILE HA 0 AMBIG 823 1.8 5.5
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
&end
#
# 7 TYR QE 0 AMBIG 824 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= 120, 125,
igr2= 160, 161, 162, 164, 165, 166,1022,1023,1024,
&end
#
# 28 LEU QQD 0 AMBIG 825 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= 442, 443, 444, 446, 447, 448,
igr2= 367, 368, 369, 440,
&end
#
# 28 LEU QQD 0 AMBIG 826 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=2066,1527,
&end
#
# 28 LEU QQD 0 AMBIG 827 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= 433,2074,
&end
#
# 55 VAL QQG 0 AMBIG 828 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= 844, 845, 846, 848, 849, 850,
igr2= 788, 789,1887,1888,
&end
#
# 55 VAL QQG 0 AMBIG 829 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= 844, 845, 846, 848, 849, 850,
igr2= 788, 789, 402, 403, 399, 400,
&end
#
# 55 VAL QQG 0 AMBIG 830 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= 830, 831,1887,1888,
&end
#
# 55 VAL QQG 0 AMBIG 831 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=1893,1894, 842,
&end
#
# 55 VAL QQG 0 AMBIG 832 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= 838, 407, 408,
&end
#
# 55 VAL QQG 0 AMBIG 833 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= 844, 845, 846, 848, 849, 850,
igr2= 861, 854,
&end
#
# 127 ILE QG2 0 AMBIG 834 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=1940,1941,1942,
igr2= 343, 344, 343, 344,
&end
#
# 127 ILE QG2 0 AMBIG 835 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=1940,1941,1942,
igr2=1936,1984,1985,
&end
#
# 127 ILE QG2 0 AMBIG 836 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=1940,1941,1942,
igr2=1955,1956,2002,2003,1981,1982,
&end
#
# 57 ILE QG2 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= 867, 868, 869,
igr2= 399, 400, 377, 378,
&end
#
# 57 ILE QG2 0 AMBIG 838 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= 867, 868, 869,
igr2= 788, 789, 402, 403,
&end
#
# 57 ILE QG2 0 AMBIG 839 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= 867, 868, 869,
igr2= 292, 803,
&end
#
# 57 ILE QG2 0 AMBIG 840 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 841 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= 867, 868, 869,
igr2= 861, 854,
&end
#
# 127 ILE QD1 0 AMBIG 842 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=1947,1948,1949,
igr2=1978,1979,1978,1979,
&end
#
# 127 ILE QD1 0 AMBIG 843 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=1947,1948,1949,
igr2=1936, 231, 232,
&end
#
# 6 ILE QD1 0 AMBIG 844 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= 104, 105, 106,
igr2= 97, 98, 99, 101, 102,
&end
#
# 6 ILE QD1 0 AMBIG 845 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= 534,1188,
&end
#
# 6 ILE QD1 0 AMBIG 846 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 847 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= 91, 151, 363,
&end
#
# 59 ILE QD1 0 AMBIG 848 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= 905, 906, 907,
igr2= 730, 731, 732, 788, 789,
&end
#
# 59 ILE QD1 0 AMBIG 849 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 850 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= 905, 906, 907,
igr2= 728, 708,
&end
#
# 59 ILE QD1 0 AMBIG 851 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= 905, 906, 907,
igr2= 894, 786,
&end
#
# 59 ILE QD1 0 AMBIG 852 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= 905, 906, 907,
igr2= 784, 726,
&end
#
# 57 ILE QD1 0 AMBIG 853 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= 874, 875, 876,
igr2= 871, 872, 844, 845, 846, 848, 849, 850,
&end
#
# 57 ILE QD1 0 AMBIG 854 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 855 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=1119,1120, 552, 553,
&end
#
# 71 ILE QG2 0 AMBIG 856 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=1069,1070,1071,
igr2= 78, 79, 80, 85, 86, 87,
&end
#
# 71 ILE QG2 0 AMBIG 857 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=1069,1070,1071,
igr2=1086,1087, 76, 514, 515,
&end
#
# 71 ILE QG2 0 AMBIG 858 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=1069,1070,1071,
igr2= 552, 553,1119,1120,
&end
#
# 71 ILE QG2 0 AMBIG 859 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=1069,1070,1071,
igr2=1119,1120,1032,1033,
&end
#
# 71 ILE QG2 0 AMBIG 860 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=1069,1070,1071,
igr2= 110,1051,
&end
#
# 79 VAL QQG 0 AMBIG 861 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1160,1161,1162,1164,1165,1166,1225,1226,1227,1229,
1230,1231,
&end
#
# 79 VAL QQG 0 AMBIG 862 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1=1192,1193,1194,1196,1197,1198,
igr2=1190,1225,1226,1227,1229,1230,1231,
&end
#
# 79 VAL QQG 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=1192,1193,1194,1196,1197,1198,
igr2=1218, 93,
&end
#
# 79 VAL QQG 0 AMBIG 864 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=1192,1193,1194,1196,1197,1198,
igr2=1186, 110,
&end
#
# 79 VAL QQG 0 AMBIG 865 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=1192,1193,1194,1196,1197,1198,
igr2=1170,1497,
&end
#
# 127 ILE QG1 0 AMBIG 866 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=1944,1945,
igr2=1936,1984,1985,
&end
#
# 10 CYS QB 0 AMBIG 867 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= 174, 175,
igr2= 181, 170,
&end
#
# 16 ARG+ QB 0 AMBIG 868 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= 242, 243,
igr2= 245, 246,1220,1221,
&end
#
# 34 VAL QQG 0 AMBIG 869 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= 538, 539, 540, 542, 543, 544,
igr2= 91, 363,
&end
#
# 34 VAL QQG 0 AMBIG 870 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= 538, 539, 540, 542, 543, 544,
igr2= 135, 136, 523, 524,
&end
#
# 34 VAL QQG 0 AMBIG 871 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= 538, 539, 540, 542, 543, 544,
igr2= 324, 325, 321, 322,
&end
#
# 98 ARG+ QB 0 AMBIG 872 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=1462,1463,
igr2=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
1431,1432,
&end
#
# 98 ARG+ QB 0 AMBIG 873 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=1462,1463,
igr2=1176,1177,1178,1180,1181,1182,1426,1427,1428,1430,
1431,1432,
&end
#
# 88 LYS+ QB 0 AMBIG 874 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=1301,1302,
igr2=1304,1305,1307,1308,
&end
#
# 36 SER QB 0 AMBIG 875 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= 573, 574,
igr2= 321, 322, 324, 325,
&end
#
# 36 SER QB 0 AMBIG 876 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= 573, 574,
igr2= 580, 131,
&end
#
# 40 GLU- QG 0 AMBIG 877 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= 623, 624,
igr2= 631, 616,
&end
#
# 40 GLU- QG 0 AMBIG 878 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= 623, 624,
igr2= 631, 616,
&end
#
# 62 GLN QG 0 AMBIG 879 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= 943, 944,
igr2= 674, 675, 676, 678, 679, 680, 898, 899, 900,
&end
#
# 71 ILE QG1 0 AMBIG 880 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=1073,1074,
igr2=1032,1033,1055,1056,
&end
#
# 77 LEU HA 0 AMBIG 881 1.8 3.5
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1160,1161,1162,1164,1165,1166,1426,1427,1428,1430,
1431,1432,
&end
#
# 79 VAL HA 0 AMBIG 882 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1208,1209,1210,1158,
&end
#
# 79 VAL HA 0 AMBIG 883 1.8 4.5
&rst
ixpk= 0, nxpk= 0, iat=1188, -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
#
# 88 LYS+ QB 0 AMBIG 884 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=1301,1302,
igr2=1304,1305,1307,1308,
&end
#
# 103 PHE QB 0 AMBIG 885 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=1549,1550,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 105 ASP- QB 0 AMBIG 886 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=1581,1582,
igr2=1617,1618,1620,1621,
&end
#
# 106 PRO QB 0 AMBIG 887 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=1596,1597,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 106 PRO QD 0 AMBIG 888 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=1590,1591,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 110 GLN QB 0 AMBIG 889 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=1651,1652,
igr2=1654,1655,1654,1655,
&end
#
# 124 ARG+ QB 0 AMBIG 890 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=1887,1888,
igr2= 354, 823,
&end
#
# 122 ARG+ QD 0 AMBIG 891 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=1853,1854,
igr2=1850,1851,1780,1781,1782,
&end
#
# 122 ARG+ QD 0 AMBIG 892 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=1853,1854,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 124 ARG+ QB 0 AMBIG 893 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=1887,1888,
igr2= 354, 823,
&end
#
# 126 GLU- QG 0 AMBIG 894 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=1926,1927,
igr2=1873,1874,1875,1877,1878,1879,1873,1874,1875,1877,
1878,1879,
&end
#
# 131 LEU QB 0 AMBIG 895 1.8 7.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
igr1=2002,2003,
igr2=1940,1941,1942, 442, 443, 444, 446, 447, 448,
&end
#
# 131 LEU QB 0 AMBIG 896 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=2002,2003,
igr2=1940,1941,1942, 442, 443, 444, 446, 447, 448,
&end
#
# 131 LEU QB 0 AMBIG 897 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=2002,2003,
igr2= 343, 344, 343, 344, 416, 417,
&end
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