NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
492152 |
2k3x   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 15 LEU H 98 ARG O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1562, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
&end
#
# 15 LEU N 98 ARG O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 212,1562, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 ALA H 23 TYR O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 232, 355, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 16 ALA N 23 TYR O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 231, 355, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 TYR H 16 ALA O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 336, 240, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 23 TYR N 16 ALA O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 335, 240, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 ALA H 14 CYS O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 372, 211, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 25 ALA N 14 CYS O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 211, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 LEU H 78 PHE O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 423,1215, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 28 LEU N 78 PHE O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 422,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 30 ILE H 39 THR O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 627, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 30 ILE N 39 THR O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 463, 627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 TRP H 76 CYS O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 483,1175, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 31 TRP N 76 CYS O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 482,1175, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 56 ILE H 40 SER O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 849, 638, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 56 ILE N 40 SER O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 76 CYS H 31 TRP O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1166, 505, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 76 CYS N 31 TRP O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1165, 505, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 77 PHE H 92 VAL O 2.30
&rst
ixpk= 0, nxpk= 0, iat=1177,1455, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 77 PHE N 92 VAL O 3.30
&rst
ixpk= 0, nxpk= 0, iat=1176,1455, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 78 PHE H 29 LYS O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1197, 462, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 78 PHE N 29 LYS O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1196, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 HIE H 26 LYS O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1236, 402, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 80 HIE N 26 LYS O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1235, 402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 82 GLN H 24 GLU O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1274, 370, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 82 GLN N 24 GLU O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1273, 370, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 90 GLU H 79 ILE O 2.30
&rst
ixpk= 0, nxpk= 0, iat=1402,1234, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80, &end
#
# 90 GLU N 79 ILE O 3.30
&rst
ixpk= 0, nxpk= 0, iat=1401,1234, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 92 VAL H 77 PHE O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1195, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 92 VAL N 77 PHE O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1440,1195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 ILE H 93 GLY O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1521,1462, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 97 ILE N 93 GLY O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1520,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 98 ARG H 15 LEU O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1540, 230, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 98 ARG N 15 LEU O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1539, 230, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 105 ILE H 101 ASN O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1653,1607, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 105 ILE N 101 ASN O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1652,1607, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 106 ALA H 102 GLU O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1672,1622, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 106 ALA N 102 GLU O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1671,1622, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 107 MET H 103 GLU O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1682,1637, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 107 MET N 103 GLU O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1681,1637, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 LYS H 104 ASN O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1651, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 108 LYS N 104 ASN O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1698,1651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 109 LYS H 105 ILE O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1670, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 109 LYS N 105 ILE O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1720,1670, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 110 ARG H 106 ALA O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1680, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 110 ARG N 106 ALA O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1742,1680, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 111 LEU H 107 MET O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1767,1697, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 111 LEU N 107 MET O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1766,1697, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 112 ALA H 108 LYS O 2.00
&rst
ixpk= 0, nxpk= 0, iat=1786,1719, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 112 ALA N 108 LYS O 3.00
&rst
ixpk= 0, nxpk= 0, iat=1785,1719, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 31 TRP HE1 72 ILE O 2.00
&rst
ixpk= 0, nxpk= 0, iat= 493,1121, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 31 TRP NE1 72 ILE O 3.00
&rst
ixpk= 0, nxpk= 0, iat= 492,1121, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 108 LYS HZ 24 GLU OE 2.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
igr1=1715,1716,1717,
igr2= 367, 368,
&end
#
# 108 LYS NZ 24 GLU OE 3.00
&rst
ixpk= 0, nxpk= 0, iat=1714, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2= 367, 368,
&end
#
# 80 HIE HD2 89 ASP OD 2.00
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
igr2=1397,1398,
&end
#
# 80 HIE CD2 89 ASP OD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1397,1398,
&end
#
# 2 VAL H 2 VAL HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 23, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 2 VAL H 2 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 27, 28, 29, 31, 32, 33,
&end
#
# 2 VAL HA 3 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 23, 37, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 2 VAL HB 3 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 25, 37, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 2 VAL QQG 3 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 2 VAL QQG 5 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 2 VAL QQG 5 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 27, 28, 29, 31, 32, 33,
igr2= 72, 73,
&end
#
# 2 VAL H 3 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 37, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 2 VAL H 3 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 39, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 2 VAL HA 3 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 23, 39, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 2 VAL QQG 3 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 27, 28, 29, 31, 32, 33,
&end
#
# 3 ASP HA 3 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 37, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 3 ASP HB2 3 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 41, 37, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 3 ASP HB3 3 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 42, 37, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 3 ASP QB 3 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 41, 42,
&end
#
# 3 ASP HA 4 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 49, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 3 ASP QB 4 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 41, 42,
&end
#
# 3 ASP HA 5 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 68, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 3 ASP HA 4 LEU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 53, 54,
&end
#
# 3 ASP QB 5 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 41, 42,
&end
#
# 3 ASP HA 6 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 83, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 3 ASP HA 4 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 39, 51, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 4 LEU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 51, 49, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 4 LEU QB 4 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 49, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 53, 54,
&end
#
# 4 LEU HG 4 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 56, 49, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 5 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 68, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 4 LEU QB 5 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 53, 54,
&end
#
# 4 LEU HG 5 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 56, 68, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 6 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 83, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 7 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 100, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 7 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 104, 105,
&end
#
# 4 LEU HA 7 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 107, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 4 LEU HA 7 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 51, 108, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 4 LEU H 6 GLN QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= 49, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 90, 91,
&end
#
# 4 LEU QQD 7 GLU HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 108, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 58, 59, 60, 62, 63, 64,
&end
#
# 4 LEU H 5 GLU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 49, 68, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 4 LEU H 5 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, 70, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 4 LEU H 6 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 49, 83, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 5 GLU HA 5 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 68, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 5 GLU HA 6 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 83, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 5 GLU QB 6 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 72, 73,
&end
#
# 5 GLU QG 6 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 83, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 75, 76,
&end
#
# 5 GLU H 6 GLN H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 68, 83, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 5 GLU H 7 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 68, 100, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 5 GLU HA 7 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 70, 100, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 6 GLN H 6 GLN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 85, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 6 GLN H 6 GLN QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 90, 91,
&end
#
# 6 GLN HA 6 GLN QG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 90, 91,
&end
#
# 6 GLN HA 7 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 85, 100, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 6 GLN QB 7 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 87, 88,
&end
#
# 6 GLN QG 7 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 100, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 90, 91,
&end
#
# 6 GLN QG 101 ASN QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 90, 91,
igr2=1604,1605,
&end
#
# 6 GLN QB 7 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 102, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 87, 88,
&end
#
# 6 GLN H 7 GLU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 83, 100, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 6 GLN H 7 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 83, 102, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 6 GLN H 7 GLU QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 107, 108,
&end
#
# 6 GLN QG 8 PHE H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 90, 91,
&end
#
# 6 GLN QG 102 GLU H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 90, 91,
&end
#
# 6 GLN QG 104 ASN QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 90, 91,
igr2=1648,1649,
&end
#
# 6 GLN H 100 TYR QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1578,1579,
&end
#
# 6 GLN QB 99 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 87, 88,
igr2=1568,1569,1570,
&end
#
# 6 GLN HA 99 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1568,1569,1570,
&end
#
# 7 GLU H 7 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 100, 102, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 7 GLU H 7 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 104, 105,
&end
#
# 7 GLU H 7 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 107, 108,
&end
#
# 7 GLU HA 7 GLU QG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 107, 108,
&end
#
# 7 GLU H 8 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 100, 115, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 7 GLU H 8 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 100, 117, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 7 GLU HA 8 PHE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 102, 115, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 7 GLU QB 8 PHE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 104, 105,
&end
#
# 7 GLU QG 8 PHE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 107, 108,
&end
#
# 7 GLU QB 9 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 104, 105,
igr2= 139, 140, 141,
&end
#
# 7 GLU QB 9 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 104, 105,
&end
#
# 7 GLU H 8 PHE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2= 123, 131,
&end
#
# 7 GLU H 101 ASN QD2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 100, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1604,1605,
&end
#
# 7 GLU QB 99 ALA H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 104, 105,
&end
#
# 7 GLU HG2 99 ALA QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1568,1569,1570,
&end
#
# 7 GLU HG3 99 ALA QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1568,1569,1570,
&end
#
# 7 GLU QG 8 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 107, 108,
igr2= 123, 131,
&end
#
# 7 GLU HA 99 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1568,1569,1570,
&end
#
# 7 GLU QG 9 ALA HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 137, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 107, 108,
&end
#
# 7 GLU HA 8 PHE QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 119, 120,
&end
#
# 7 GLU HA 94 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 102, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1474,1479,
&end
#
# 7 GLU HA 94 TYR HH 5.00
&rst
ixpk= 0, nxpk= 0, iat= 102,1477, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 7 GLU QB 99 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 104, 105,
igr2=1568,1569,1570,
&end
#
# 7 GLU HA 99 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 102,1564, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 7 GLU QB 94 TYR HH 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 104, 105,
&end
#
# 8 PHE H 8 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 117, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 8 PHE H 8 PHE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 119, 120,
&end
#
# 8 PHE H 8 PHE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 123, 131,
&end
#
# 8 PHE HA 9 ALA H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 135, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 8 PHE H 9 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 135, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 8 PHE QB 9 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 119, 120,
&end
#
# 8 PHE QD 9 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 135, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 123, 131,
&end
#
# 8 PHE HA 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 417, 418, 419,
&end
#
# 8 PHE HB2 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 119, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 417, 418, 419,
&end
#
# 8 PHE HB3 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 120, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 417, 418, 419,
&end
#
# 8 PHE QD 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 123, 131,
igr2= 417, 418, 419,
&end
#
# 8 PHE QD 9 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 123, 131,
igr2= 139, 140, 141,
&end
#
# 8 PHE H 27 ILE QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 410, 411, 412,
&end
#
# 8 PHE QD 100 TYR H 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 123, 131,
&end
#
# 8 PHE QB 12 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE H 94 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1474,1479,
&end
#
# 8 PHE HA 12 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 171, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HA 9 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 137, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 8 PHE HA 9 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 139, 140, 141,
&end
#
# 8 PHE HA 12 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 173, 174,
&end
#
# 8 PHE HA 99 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1564, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 8 PHE HA 99 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1566, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 8 PHE HA 14 CYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117, 204, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HA 94 TYR HH 6.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1477, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HA 100 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1574, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 8 PHE QB 77 PHE HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 77 PHE HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1193, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 77 PHE HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 77 PHE HE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 77 PHE HZ 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 94 TYR HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 94 TYR HE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 94 TYR HH 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1477, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 99 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
&end
#
# 8 PHE QB 99 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 119, 120,
igr2=1568,1569,1570,
&end
#
# 8 PHE HD1 77 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 123,1189, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HD2 77 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 131,1189, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HE1 77 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 125,1189, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HE2 77 PHE HZ 6.00
&rst
ixpk= 0, nxpk= 0, iat= 129,1189, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE H 94 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1474,1479,
&end
#
# 8 PHE H 94 TYR HH 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115,1477, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 8 PHE H 99 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 115,1566, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 8 PHE HA 99 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 117,1564, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 8 PHE HA 99 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1568,1569,1570,
&end
#
# 8 PHE H 99 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1568,1569,1570,
&end
#
# 9 ALA H 9 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 137, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 9 ALA H 9 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 139, 140, 141,
&end
#
# 9 ALA H 10 LEU H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 135, 145, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 9 ALA HA 10 LEU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 145, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 9 ALA QB 10 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA QB 11 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA HA 12 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 171, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA QB 12 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA H 13 ARG H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 178, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 9 ALA QB 12 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 173, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA QB 12 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 174, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA H 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 417, 418, 419,
&end
#
# 9 ALA QB 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
igr2= 417, 418, 419,
&end
#
# 9 ALA QB 99 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
igr2=1568,1569,1570,
&end
#
# 9 ALA H 99 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1568,1569,1570,
&end
#
# 9 ALA H 98 ARG HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1542, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 9 ALA H 10 LEU QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2= 149, 150,
&end
#
# 9 ALA H 12 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 173, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA H 12 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 174, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA HA 12 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 173, 174,
&end
#
# 9 ALA H 13 ARG H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 178, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 11 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 164, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 12 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 171, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 9 ALA H 12 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 173, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA H 12 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 174, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA H 12 GLY QA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 173, 174,
&end
#
# 9 ALA H 27 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, 408, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 9 ALA H 27 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 135, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 414, 415,
&end
#
# 9 ALA H 100 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1574, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA H 99 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 135,1566, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA HA 11 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 164, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 9 ALA HA 12 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 137, 171, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 9 ALA HA 12 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 173, 174,
&end
#
# 9 ALA HA 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 417, 418, 419,
&end
#
# 9 ALA QB 11 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 9 ALA QB 12 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 139, 140, 141,
&end
#
# 10 LEU H 10 LEU HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 147, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 10 LEU H 10 LEU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 10 LEU H 10 LEU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 10 LEU H 10 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU HA 10 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QB 10 LEU QQD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 149, 150,
igr2= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU HA 12 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 171, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 10 LEU HA 11 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 147, 164, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 10 LEU QB 11 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 149, 150,
&end
#
# 10 LEU QQD 11 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 40 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 41 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QB 12 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 149, 150,
&end
#
# 10 LEU QQD 12 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 30 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 41 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU QQD 39 THR HB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 154, 155, 156, 158, 159, 160,
&end
#
# 10 LEU HA 27 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 410, 411, 412,
&end
#
# 10 LEU QB 41 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 149, 150,
igr2= 646, 647, 648,
&end
#
# 10 LEU QB 13 ARG H 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 149, 150,
&end
#
# 10 LEU QB 43 ASN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 149, 150,
igr2= 677, 678,
&end
#
# 11 GLY H 11 GLY QA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 166, 167,
&end
#
# 11 GLY QA 12 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 166, 167,
&end
#
# 11 GLY H 12 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 164, 171, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 11 GLY H 27 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 164, 408, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 11 GLY H 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 417, 418, 419,
&end
#
# 11 GLY H 99 ALA QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1568,1569,1570,
&end
#
# 11 GLY H 26 LYS QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 389, 390,
&end
#
# 11 GLY H 41 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 653, 654, 655,
&end
#
# 11 GLY H 41 ILE QG2 10.00
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2= 646, 647, 648,
&end
#
# 11 GLY QA 41 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 166, 167,
igr2= 653, 654, 655,
&end
#
# 11 GLY QA 26 LYS QE 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 166, 167,
igr2= 395, 396,
&end
#
# 11 GLY QA 27 ILE HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 166, 167,
&end
#
# 12 GLY H 12 GLY QA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 173, 174,
&end
#
# 12 GLY H 13 ARG H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 171, 178, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 12 GLY HA2 13 ARG H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 173, 178, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 12 GLY HA3 13 ARG H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 174, 178, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 12 GLY H 99 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1568,1569,1570,
&end
#
# 12 GLY H 100 TYR QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1578,1579,
&end
#
# 12 GLY H 14 CYS H 7.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 202, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50, &end
#
# 12 GLY H 27 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 408, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 12 GLY H 27 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 414, 415,
&end
#
# 12 GLY H 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 417, 418, 419,
&end
#
# 12 GLY QA 27 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY H 13 ARG HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 171, 180, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 12 GLY QA 13 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 180, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 173, 174,
&end
#
# 12 GLY QA 13 ARG QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 173, 174,
igr2= 182, 183,
&end
#
# 12 GLY QA 100 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY HA2 100 TYR QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1578,1579,
&end
#
# 12 GLY HA3 100 TYR QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 174, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1578,1579,
&end
#
# 12 GLY QA 14 CYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY QA 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 173, 174,
igr2= 417, 418, 419,
&end
#
# 12 GLY QA 99 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1566, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 173, 174,
&end
#
# 12 GLY QA 100 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 173, 174,
&end
#
# 13 ARG H 13 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 180, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 13 ARG H 13 ARG QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 182, 183,
&end
#
# 13 ARG H 13 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 185, 186,
&end
#
# 13 ARG H 13 ARG HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 188, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 13 ARG HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 14 CYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 178, 202, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 13 ARG HA 14 CYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 202, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 13 ARG QG 14 CYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 185, 186,
&end
#
# 13 ARG HD2 14 CYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 188, 202, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 13 ARG HD3 14 CYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 189, 202, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 13 ARG QD 14 CYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 202, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 188, 189,
&end
#
# 13 ARG HA 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 417, 418, 419,
&end
#
# 13 ARG H 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 417, 418, 419,
&end
#
# 13 ARG HD2 100 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1582,1591,
&end
#
# 13 ARG HD3 100 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 189, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1582,1591,
&end
#
# 13 ARG QD 100 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 188, 189,
igr2=1582,1591,
&end
#
# 13 ARG QD 100 TYR QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 188, 189,
igr2=1584,1589,
&end
#
# 13 ARG HA 26 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 384, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 13 ARG HA 27 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 404, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 13 ARG HA 27 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 408, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 13 ARG HA 27 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 414, 415,
&end
#
# 13 ARG QB 27 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 182, 183,
&end
#
# 13 ARG H 100 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178,1574, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 100 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178,1576, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 13 ARG H 100 TYR QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1578,1579,
&end
#
# 13 ARG H 100 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1582,1591,
&end
#
# 13 ARG QG 26 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 185, 186,
&end
#
# 13 ARG QG 26 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 185, 186,
igr2= 389, 390,
&end
#
# 13 ARG QD 82 GLN QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 188, 189,
igr2=1281,1282,
&end
#
# 13 ARG HA 25 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 372, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 13 ARG QB 100 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 182, 183,
&end
#
# 13 ARG QB 100 TYR HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 182, 183,
&end
#
# 13 ARG QD 100 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 188, 189,
&end
#
# 13 ARG QB 15 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 182, 183,
igr2= 222, 223, 224, 226, 227, 228,
&end
#
# 13 ARG H 99 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1568,1569,1570,
&end
#
# 14 CYS H 14 CYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 204, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 14 CYS H 14 CYS QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 206, 207,
&end
#
# 14 CYS HA 15 LEU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 204, 213, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 14 CYS H 15 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 213, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 14 CYS QB 15 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 206, 207,
&end
#
# 14 CYS H 24 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 359, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 14 CYS H 25 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 372, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 14 CYS H 25 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 376, 377, 378,
&end
#
# 14 CYS H 26 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 384, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 14 CYS H 27 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 202, 404, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 14 CYS HA 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 417, 418, 419,
&end
#
# 14 CYS QB 27 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 206, 207,
igr2= 417, 418, 419,
&end
#
# 14 CYS H 25 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 376, 377, 378,
&end
#
# 14 CYS H 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 417, 418, 419,
&end
#
# 14 CYS H 27 ILE QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 410, 411, 412,
&end
#
# 14 CYS HA 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 417, 418, 419,
&end
#
# 14 CYS QB 27 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 206, 207,
igr2= 417, 418, 419,
&end
#
# 14 CYS QB 97 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 206, 207,
igr2=1534,1535,1536,
&end
#
# 14 CYS QB 97 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 206, 207,
igr2=1531,1532,
&end
#
# 14 CYS QB 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 206, 207,
igr2=1527,1528,1529,
&end
#
# 14 CYS HA 100 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 204,1574, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 15 LEU HA 15 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 213, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 15 LEU HB2 15 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 217, 213, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HB3 15 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 218, 213, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 15 LEU QQD 15 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU HA 16 ALA H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 232, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 15 LEU QB 16 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 217, 218,
&end
#
# 15 LEU HG 16 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, 232, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 15 LEU QQD 16 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU H 16 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 232, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HA 24 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 359, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 15 LEU HA 25 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 215, 372, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 15 LEU H 25 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 376, 377, 378,
&end
#
# 15 LEU HA 25 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 376, 377, 378,
&end
#
# 15 LEU QQD 25 ALA HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 374, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1666,1667,1668,
&end
#
# 15 LEU QQD 24 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 24 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 365, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 24 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 108 LYS HE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1712, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 108 LYS HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 108 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1712,1713,
&end
#
# 15 LEU QQD 100 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 104 ASN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 104 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1643,1644,
&end
#
# 15 LEU QQD 104 ASN QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1648,1649,
&end
#
# 15 LEU QQD 100 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1582,1591,
&end
#
# 15 LEU QQD 100 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1584,1589,
&end
#
# 15 LEU QQD 22 MET HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 22 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 22 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2= 330, 331, 332,
&end
#
# 15 LEU QQD 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1693,1694,1695,
&end
#
# 15 LEU HG 104 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1648,1649,
&end
#
# 15 LEU QQD 104 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1648,1649,
&end
#
# 15 LEU H 97 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 213,1523, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 15 LEU H 97 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1531,1532,
&end
#
# 15 LEU H 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1534,1535,1536,
&end
#
# 15 LEU H 98 ARG H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1540, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 15 LEU H 99 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1564, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 15 LEU H 99 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1566, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 15 LEU HG 22 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 330, 331, 332,
&end
#
# 15 LEU HG 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1693,1694,1695,
&end
#
# 15 LEU H 100 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1574, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 15 LEU H 100 TYR QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1578,1579,
&end
#
# 15 LEU QB 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 217, 218,
&end
#
# 15 LEU H 22 MET QG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2= 326, 327,
&end
#
# 15 LEU QQD 22 MET QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2= 326, 327,
&end
#
# 15 LEU H 79 ILE HB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 213,1221, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50, &end
#
# 15 LEU HG 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1666,1667,1668,
&end
#
# 15 LEU QQD 104 ASN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1641, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 104 ASN H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 105 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 24 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2= 364, 365,
&end
#
# 15 LEU QQD 101 ASN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QQD 100 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
igr2=1582,1591,
&end
#
# 15 LEU QQD 100 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1576, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 15 LEU QB 26 LYS HA 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 217, 218,
&end
#
# 15 LEU QQD 105 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 222, 223, 224, 226, 227, 228,
&end
#
# 16 ALA H 16 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 232, 234, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 16 ALA H 16 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 236, 237, 238,
&end
#
# 16 ALA H 17 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 242, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 16 ALA HA 17 PHE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 234, 242, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 16 ALA H 25 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 232, 372, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 16 ALA H 24 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 232, 359, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 16 ALA H 23 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 232, 336, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 16 ALA H 23 TYR QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 340, 341,
&end
#
# 16 ALA HA 98 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 234,1540, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 16 ALA HA 97 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 234,1521, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 16 ALA HA 97 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 234,1523, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 16 ALA HA 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1527,1528,1529,
&end
#
# 16 ALA QB 97 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
&end
#
# 16 ALA QB 97 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
&end
#
# 16 ALA QB 97 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
igr2=1531,1532,
&end
#
# 16 ALA QB 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
igr2=1527,1528,1529,
&end
#
# 16 ALA QB 97 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 236, 237, 238,
igr2=1534,1535,1536,
&end
#
# 16 ALA QB 25 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 236, 237, 238,
igr2= 376, 377, 378,
&end
#
# 16 ALA QB 81 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
igr2=1261,1270,
&end
#
# 16 ALA QB 81 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
igr2=1263,1268,
&end
#
# 16 ALA QB 81 TYR HH 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
&end
#
# 16 ALA H 25 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 376, 377, 378,
&end
#
# 16 ALA HA 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1693,1694,1695,
&end
#
# 16 ALA H 22 MET QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 326, 327,
&end
#
# 16 ALA H 81 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1263,1268,
&end
#
# 16 ALA H 81 TYR HH 6.00
&rst
ixpk= 0, nxpk= 0, iat= 232,1266, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 16 ALA QB 79 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
igr2=1230,1231,1232,
&end
#
# 16 ALA QB 98 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 236, 237, 238,
&end
#
# 16 ALA H 24 GLU QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2= 361, 362,
&end
#
# 16 ALA H 24 GLU QG 7.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2= 364, 365,
&end
#
# 16 ALA H 81 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1261,1270,
&end
#
# 16 ALA H 17 PHE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 250, 258,
&end
#
# 16 ALA QB 92 VAL H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 236, 237, 238,
&end
#
# 16 ALA HA 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 234, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1527,1528,1529,
&end
#
# 16 ALA QB 18 HIE HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 236, 237, 238,
&end
#
# 17 PHE H 17 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 244, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 17 PHE H 17 PHE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 246, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 17 PHE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 247, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 17 PHE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 246, 247,
&end
#
# 17 PHE H 17 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 250, 258,
&end
#
# 17 PHE QB 17 PHE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 246, 247,
igr2= 250, 258,
&end
#
# 17 PHE HA 22 MET HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 321, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 17 PHE HA 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HA 18 HIE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 262, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 17 PHE HA 19 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 279, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 18 HIE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 242, 262, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 17 PHE QD 18 HIE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 250, 258,
&end
#
# 17 PHE QE 18 HIE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 252, 256,
&end
#
# 17 PHE HB2 18 HIE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 246, 262, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HB3 18 HIE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 247, 262, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE QD 111 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 250, 258,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 17 PHE HE1 111 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1776,1777,1778,
&end
#
# 17 PHE HE2 111 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1776,1777,1778,
&end
#
# 17 PHE QE 111 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 252, 256,
igr2=1780,1781,1782,
&end
#
# 17 PHE QE 111 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 252, 256,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 17 PHE QD 22 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 250, 258,
&end
#
# 17 PHE HD1 22 MET HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 250, 321, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 17 PHE HD2 22 MET HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 258, 321, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 17 PHE HD1 22 MET QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 323, 324,
&end
#
# 17 PHE HD2 22 MET QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 323, 324,
&end
#
# 17 PHE HE1 22 MET QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 323, 324,
&end
#
# 17 PHE HE2 22 MET QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 323, 324,
&end
#
# 17 PHE QD 22 MET HG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 250, 258,
&end
#
# 17 PHE QD 22 MET HG3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 327, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 250, 258,
&end
#
# 17 PHE QD 22 MET QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 250, 258,
igr2= 326, 327,
&end
#
# 17 PHE HE2 22 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 326, 327,
&end
#
# 17 PHE HZ 111 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1776,1777,1778,
&end
#
# 17 PHE HZ 111 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1780,1781,1782,
&end
#
# 17 PHE QE 22 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 252, 256,
&end
#
# 17 PHE H 96 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 242,1499, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 17 PHE H 96 ARG QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1501,1502,
&end
#
# 17 PHE H 97 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 242,1523, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE H 98 ARG H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 242,1540, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 17 PHE H 24 GLU H 9.00
&rst
ixpk= 0, nxpk= 0, iat= 242, 357, r1= 1.30, r2= 1.8, r3= 9.00, r4= 9.50, &end
#
# 17 PHE QB 19 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 246, 247,
&end
#
# 17 PHE HA 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 244, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 17 PHE HD1 107 MET QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1686,1687,
&end
#
# 17 PHE HD2 107 MET QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1686,1687,
&end
#
# 17 PHE HD1 107 MET QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1689,1690,
&end
#
# 17 PHE HD2 107 MET QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1689,1690,
&end
#
# 17 PHE QD 107 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 250, 258,
igr2=1693,1694,1695,
&end
#
# 17 PHE HZ 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1693,1694,1695,
&end
#
# 17 PHE HE1 107 MET QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1686,1687,
&end
#
# 17 PHE HE2 107 MET QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1686,1687,
&end
#
# 17 PHE HE1 107 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1689,1690,
&end
#
# 17 PHE HE2 107 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1689,1690,
&end
#
# 17 PHE HE1 107 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1693,1694,1695,
&end
#
# 17 PHE HE2 107 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1693,1694,1695,
&end
#
# 17 PHE HZ 107 MET QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1689,1690,
&end
#
# 17 PHE HZ 111 LEU QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1771,1772,
&end
#
# 17 PHE QB 96 ARG QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
igr2=1501,1502,
&end
#
# 17 PHE QB 96 ARG QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
igr2=1504,1505,
&end
#
# 17 PHE QB 97 ILE H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
&end
#
# 17 PHE QB 97 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 246, 247,
&end
#
# 17 PHE QB 97 ILE HB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
&end
#
# 17 PHE QB 97 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
igr2=1531,1532,
&end
#
# 17 PHE QB 107 MET QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
igr2=1686,1687,
&end
#
# 17 PHE QB 107 MET QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
igr2=1689,1690,
&end
#
# 17 PHE QB 107 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 246, 247,
igr2=1693,1694,1695,
&end
#
# 17 PHE QB 111 LEU QQD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 246, 247,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 17 PHE HA 107 MET QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1689,1690,
&end
#
# 17 PHE HA 107 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1693,1694,1695,
&end
#
# 17 PHE H 92 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1451,1452,1453,
&end
#
# 17 PHE H 96 ARG H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 242,1497, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 18 HIE H 18 HIE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 264, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 18 HIE H 18 HIE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 18 HIE H 18 HIE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 267, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 18 HIE H 18 HIE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 266, 267,
&end
#
# 18 HIE HA 19 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 264, 279, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 18 HIE QB 19 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 279, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 266, 267,
&end
#
# 18 HIE H 19 GLY H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 262, 279, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 18 HIE H 21 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 300, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 18 HIE H 22 MET HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 321, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 18 HIE H 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 262, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 18 HIE QB 21 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 266, 267,
&end
#
# 18 HIE HE1 88 TRP HZ3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 271,1383, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 18 HIE HE1 88 TRP HH2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 271,1381, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 18 HIE HD2 81 TYR HH 6.00
&rst
ixpk= 0, nxpk= 0, iat= 275,1266, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 18 HIE HE1 81 TYR HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 271,1261, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 18 HIE HE1 81 TYR HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 271,1270, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 18 HIE HE1 81 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1263,1268,
&end
#
# 18 HIE HE1 81 TYR HH 5.00
&rst
ixpk= 0, nxpk= 0, iat= 271,1266, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 18 HIE HD2 96 ARG HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= 275,1499, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 18 HIE HD2 96 ARG QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1501,1502,
&end
#
# 18 HIE HD2 96 ARG QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1504,1505,
&end
#
# 18 HIE HD2 81 TYR QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1261,1270,
&end
#
# 19 GLY H 19 GLY QA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 281, 282,
&end
#
# 19 GLY QA 20 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 287, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 281, 282,
&end
#
# 19 GLY QA 20 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 281, 282,
&end
#
# 19 GLY QA 20 PRO QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 281, 282,
igr2= 287, 288,
&end
#
# 19 GLY QA 21 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 281, 282,
&end
#
# 19 GLY H 22 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 279, 319, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 19 GLY H 22 MET HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 279, 321, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 20 PRO HA 21 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 296, 300, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 20 PRO HB2 21 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 293, 300, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 20 PRO HB3 21 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 294, 300, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 20 PRO QB 21 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 293, 294,
&end
#
# 20 PRO QG 21 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 290, 291,
&end
#
# 20 PRO HD2 21 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 287, 300, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 20 PRO HD3 21 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 288, 300, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 20 PRO QD 21 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 300, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 287, 288,
&end
#
# 20 PRO QB 21 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 293, 294,
&end
#
# 20 PRO QB 21 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 293, 294,
igr2= 309, 310, 311, 313, 314, 315,
&end
#
# 20 PRO HA 111 LEU QD1 8.00
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1776,1777,1778,
&end
#
# 20 PRO HA 111 LEU QD2 8.00
&rst
ixpk= 0, nxpk= 0, iat= 296, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1780,1781,1782,
&end
#
# 21 LEU H 21 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 302, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 21 LEU H 21 LEU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 304, 305,
&end
#
# 21 LEU H 21 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 307, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 21 LEU H 21 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 309, 310, 311,
&end
#
# 21 LEU H 21 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 313, 314, 315,
&end
#
# 21 LEU H 22 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 319, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 21 LEU HA 22 MET H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 302, 319, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 21 LEU QD1 22 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
&end
#
# 21 LEU QD2 22 MET H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 313, 314, 315,
&end
#
# 21 LEU QD2 22 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 313, 314, 315,
igr2= 330, 331, 332,
&end
#
# 21 LEU QD1 112 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1788, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
&end
#
# 21 LEU QD2 112 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1788, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 21 LEU QQD 112 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1788, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311, 313, 314, 315,
&end
#
# 21 LEU QD1 112 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1788, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
&end
#
# 21 LEU QQD 112 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311, 313, 314, 315,
igr2=1790,1791,1792,
&end
#
# 21 LEU QQD 112 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311, 313, 314, 315,
&end
#
# 21 LEU QB 22 MET H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 304, 305,
&end
#
# 21 LEU HA 111 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 21 LEU QD1 111 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 309, 310, 311,
igr2=1780,1781,1782,
&end
#
# 21 LEU QD1 111 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
igr2=1776,1777,1778,
&end
#
# 21 LEU QQD 111 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311, 313, 314, 315,
&end
#
# 21 LEU HA 111 LEU QD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1776,1777,1778,
&end
#
# 21 LEU HA 111 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1780,1781,1782,
&end
#
# 21 LEU HA 111 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 21 LEU H 23 TYR HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 346, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 21 LEU H 23 TYR HE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 351, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 21 LEU QD1 23 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
igr2= 346, 351,
&end
#
# 21 LEU QD2 23 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 313, 314, 315,
igr2= 346, 351,
&end
#
# 21 LEU QD2 23 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
igr2= 344, 353,
&end
#
# 21 LEU QQD 84 TRP HE1 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 309, 310, 311, 313, 314, 315,
&end
#
# 21 LEU QD1 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
&end
#
# 21 LEU QD1 114 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1812, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
&end
#
# 21 LEU QD1 114 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
igr2=1814,1815,
&end
#
# 21 LEU HA 111 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1771,1772,
&end
#
# 21 LEU HG 111 LEU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1771,1772,
&end
#
# 21 LEU HG 111 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 307,1774, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 21 LEU HG 111 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr2=1776,1777,1778,
&end
#
# 21 LEU HG 111 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1780,1781,1782,
&end
#
# 21 LEU HG 112 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 307,1786, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 21 LEU HG 114 LEU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1814,1815,
&end
#
# 21 LEU HG 115 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1833,1834,
&end
#
# 21 LEU QD1 111 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
igr2=1771,1772,
&end
#
# 21 LEU QD1 111 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
igr2=1780,1781,1782,
&end
#
# 21 LEU QD1 115 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1831, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
&end
#
# 21 LEU QD1 115 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
igr2=1833,1834,
&end
#
# 21 LEU QD1 115 GLU QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 309, 310, 311,
igr2=1836,1837,
&end
#
# 21 LEU QD1 112 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1788, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 309, 310, 311,
&end
#
# 21 LEU QD2 108 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 313, 314, 315,
igr2=1709,1710,
&end
#
# 21 LEU QD2 108 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 313, 314, 315,
igr2=1712,1713,
&end
#
# 21 LEU QD2 111 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 21 LEU QD2 111 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 21 LEU QD2 111 LEU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 313, 314, 315,
igr2=1771,1772,
&end
#
# 21 LEU QD2 111 LEU QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 313, 314, 315,
igr2=1776,1777,1778,
&end
#
# 21 LEU QD2 112 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1788, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 313, 314, 315,
&end
#
# 21 LEU QD2 112 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 313, 314, 315,
igr2=1790,1791,1792,
&end
#
# 21 LEU QD2 114 LEU QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 313, 314, 315,
igr2=1814,1815,
&end
#
# 21 LEU QD2 115 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1829, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 21 LEU QD2 115 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1831, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
&end
#
# 21 LEU QD2 115 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
igr2=1833,1834,
&end
#
# 21 LEU QD2 115 GLU QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 313, 314, 315,
igr2=1836,1837,
&end
#
# 21 LEU QD2 23 TYR HH 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 313, 314, 315,
&end
#
# 22 MET H 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 22 MET HG2 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 326, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 22 MET HG3 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 327, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 22 MET QG 23 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 326, 327,
&end
#
# 22 MET QE 23 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
&end
#
# 22 MET HA 22 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 321, 319, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 22 MET QB 22 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 323, 324,
&end
#
# 22 MET HA 23 TYR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 321, 336, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 22 MET QG 23 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 326, 327,
&end
#
# 22 MET QB 111 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 323, 324,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 22 MET HG2 111 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 22 MET HG3 111 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 327, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 22 MET QG 111 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 326, 327,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 22 MET QG 23 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 326, 327,
&end
#
# 22 MET QE 23 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
&end
#
# 22 MET QE 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
igr2=1693,1694,1695,
&end
#
# 22 MET QG 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 326, 327,
igr2=1693,1694,1695,
&end
#
# 22 MET QE 108 LYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
igr2=1703,1704,
&end
#
# 22 MET QE 108 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
igr2=1706,1707,
&end
#
# 22 MET QE 108 LYS QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 330, 331, 332,
igr2=1709,1710,
&end
#
# 22 MET QE 108 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
igr2=1712,1713,
&end
#
# 22 MET H 111 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1776,1777,1778,
&end
#
# 22 MET H 111 LEU QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1780,1781,1782,
&end
#
# 22 MET QB 108 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 323, 324,
&end
#
# 22 MET QG 108 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 326, 327,
&end
#
# 22 MET QB 107 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 323, 324,
igr2=1689,1690,
&end
#
# 22 MET H 108 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319,1701, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 22 MET H 108 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1709,1710,
&end
#
# 22 MET H 111 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1771,1772,
&end
#
# 22 MET HA 107 MET QE 8.00
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1693,1694,1695,
&end
#
# 22 MET QB 107 MET HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1684, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 323, 324,
&end
#
# 22 MET QB 107 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 323, 324,
igr2=1693,1694,1695,
&end
#
# 22 MET QG 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 326, 327,
igr2=1693,1694,1695,
&end
#
# 22 MET QG 111 LEU QQD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 326, 327,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 22 MET QE 108 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 330, 331, 332,
igr2=1712,1713,
&end
#
# 22 MET QE 108 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 330, 331, 332,
&end
#
# 22 MET QE 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
igr2=1693,1694,1695,
&end
#
# 22 MET QE 109 LYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 330, 331, 332,
&end
#
# 22 MET QE 111 LEU QQD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 330, 331, 332,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 22 MET QE 104 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
igr2=1643,1644,
&end
#
# 22 MET QE 24 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 330, 331, 332,
&end
#
# 22 MET QE 24 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
&end
#
# 22 MET QE 105 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
&end
#
# 22 MET QE 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 330, 331, 332,
igr2=1666,1667,1668,
&end
#
# 23 TYR H 23 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 336, 338, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 23 TYR H 24 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 336, 357, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HA 24 GLU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 338, 357, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 23 TYR QB 24 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 340, 341,
&end
#
# 23 TYR QD 24 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 344, 353,
&end
#
# 23 TYR QE 24 GLU H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 346, 351,
&end
#
# 23 TYR QB 84 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 340, 341,
&end
#
# 23 TYR HD1 84 TRP HE1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 344,1308, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HD2 84 TRP HE1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 353,1308, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HE1 84 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 346,1308, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HE2 84 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 351,1308, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 23 TYR QE 84 TRP HE1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 346, 351,
&end
#
# 23 TYR HE1 84 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 346,1311, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HE2 84 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 351,1311, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 23 TYR QE 84 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 346, 351,
&end
#
# 23 TYR HH 84 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1311, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 23 TYR QB 82 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 340, 341,
&end
#
# 23 TYR QB 81 TYR H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 340, 341,
&end
#
# 23 TYR QB 81 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 340, 341,
igr2=1261,1270,
&end
#
# 23 TYR QB 84 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1306, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 340, 341,
&end
#
# 23 TYR QB 84 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 340, 341,
&end
#
# 23 TYR QB 88 TRP HZ3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 340, 341,
&end
#
# 23 TYR HD1 84 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 344,1306, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HD2 84 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= 353,1306, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 23 TYR HH 84 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1308, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 23 TYR HH 84 TRP HZ2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1311, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 23 TYR HH 84 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 349,1313, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 23 TYR H 107 MET QE 8.00
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1693,1694,1695,
&end
#
# 23 TYR HA 108 LYS QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1706,1707,
&end
#
# 24 GLU H 24 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 24 GLU H 24 GLU QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 361, 362,
&end
#
# 24 GLU H 24 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 364, 365,
&end
#
# 24 GLU HA 24 GLU QG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 364, 365,
&end
#
# 24 GLU HA 25 ALA H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 359, 372, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 24 GLU HA 25 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 376, 377, 378,
&end
#
# 24 GLU H 25 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 357, 372, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 24 GLU QB 25 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 361, 362,
&end
#
# 24 GLU QG 25 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 364, 365,
&end
#
# 24 GLU H 81 TYR QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1257,1258,
&end
#
# 24 GLU H 81 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1261,1270,
&end
#
# 24 GLU QG 82 GLN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 364, 365,
igr2=1278,1279,
&end
#
# 24 GLU QG 82 GLN QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 364, 365,
igr2=1281,1282,
&end
#
# 24 GLU H 82 GLN QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1281,1282,
&end
#
# 24 GLU HA 79 ILE QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1223,1224,1225,
&end
#
# 24 GLU HG2 82 GLN QE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1286,1287,
&end
#
# 24 GLU HG3 82 GLN QE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 365, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1286,1287,
&end
#
# 24 GLU QG 82 GLN QE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 364, 365,
igr2=1286,1287,
&end
#
# 24 GLU HA 26 LYS QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 386, 387,
&end
#
# 25 ALA H 25 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 372, 374, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 25 ALA H 25 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 376, 377, 378,
&end
#
# 25 ALA H 26 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HA 26 LYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 374, 382, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 25 ALA QB 26 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 376, 377, 378,
&end
#
# 25 ALA QB 79 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 376, 377, 378,
igr2=1230,1231,1232,
&end
#
# 25 ALA QB 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 376, 377, 378,
igr2=1223,1224,1225,
&end
#
# 25 ALA QB 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 376, 377, 378,
igr2=1527,1528,1529,
&end
#
# 25 ALA QB 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 376, 377, 378,
igr2=1534,1535,1536,
&end
#
# 25 ALA QB 81 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 376, 377, 378,
igr2=1261,1270,
&end
#
# 25 ALA QB 81 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 376, 377, 378,
igr2=1263,1268,
&end
#
# 25 ALA HA 81 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 374,1255, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 25 ALA HA 82 GLN H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 374,1274, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 25 ALA QB 81 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1255, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 376, 377, 378,
&end
#
# 25 ALA QB 81 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 376, 377, 378,
igr2=1261,1270,
&end
#
# 25 ALA QB 81 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 376, 377, 378,
igr2=1263,1268,
&end
#
# 25 ALA HA 82 GLN HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 374,1281, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 25 ALA HA 82 GLN HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 374,1282, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 26 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 384, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 26 LYS H 26 LYS QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 386, 387,
&end
#
# 26 LYS QB 26 LYS HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 386, 387,
&end
#
# 26 LYS QB 26 LYS QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 386, 387,
igr2= 392, 393,
&end
#
# 26 LYS H 26 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 395, 396,
&end
#
# 26 LYS QB 26 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 386, 387,
igr2= 395, 396,
&end
#
# 26 LYS QG 26 LYS QE 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 389, 390,
igr2= 395, 396,
&end
#
# 26 LYS HA 26 LYS QG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 389, 390,
&end
#
# 26 LYS H 27 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382, 404, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 26 LYS HA 27 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 384, 404, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 26 LYS H 79 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382,1219, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 79 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382,1221, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 80 HIE H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 382,1236, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 26 LYS H 80 HIE HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382,1240, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 26 LYS H 80 HIE HB3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 382,1241, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 26 LYS H 80 HIE QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1240,1241,
&end
#
# 26 LYS H 81 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382,1255, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 26 LYS H 82 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382,1274, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 26 LYS QB 80 HIE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 386, 387,
&end
#
# 26 LYS QG 80 HIE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 389, 390,
&end
#
# 26 LYS H 97 ILE QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1531,1532,
&end
#
# 26 LYS HA 97 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1531,1532,
&end
#
# 26 LYS QB 81 TYR H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 386, 387,
&end
#
# 26 LYS HA 81 TYR H 8.00
&rst
ixpk= 0, nxpk= 0, iat= 384,1253, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 26 LYS QB 82 GLN QE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 386, 387,
igr2=1286,1287,
&end
#
# 26 LYS QG 82 GLN QE2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 389, 390,
igr2=1286,1287,
&end
#
# 26 LYS QD 82 GLN QE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 392, 393,
igr2=1286,1287,
&end
#
# 26 LYS H 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1223,1224,1225,
&end
#
# 26 LYS QB 79 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 386, 387,
igr2=1227,1228,
&end
#
# 26 LYS QG 26 LYS QE 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 389, 390,
igr2= 395, 396,
&end
#
# 26 LYS QE 27 ILE QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 395, 396,
igr2= 410, 411, 412,
&end
#
# 26 LYS QE 28 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 395, 396,
igr2= 432, 433, 434, 436, 437, 438,
&end
#
# 26 LYS QE 46 PRO QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 395, 396,
igr2= 722, 723,
&end
#
# 26 LYS H 89 ASP QB 10.00
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2=1394,1395,
&end
#
# 26 LYS QE 79 ILE QG1 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 395, 396,
igr2=1227,1228,
&end
#
# 27 ILE HA 27 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 406, 404, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HB 27 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 408, 404, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 27 ILE QG1 27 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 414, 415,
&end
#
# 27 ILE QG2 27 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 410, 411, 412,
&end
#
# 27 ILE QG2 27 ILE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 410, 411, 412,
&end
#
# 27 ILE QD 27 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 417, 418, 419,
&end
#
# 27 ILE HA 28 LEU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 406, 423, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 27 ILE HA 28 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 406, 423, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 27 ILE H 28 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 404, 423, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 27 ILE QG2 28 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 410, 411, 412,
&end
#
# 27 ILE QD 97 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 417, 418, 419,
igr2=1534,1535,1536,
&end
#
# 27 ILE QD 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 417, 418, 419,
igr2=1527,1528,1529,
&end
#
# 27 ILE HA 79 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr2=1223,1224,1225,
&end
#
# 27 ILE QD 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 417, 418, 419,
igr2=1223,1224,1225,
&end
#
# 27 ILE QG2 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 410, 411, 412,
igr2=1223,1224,1225,
&end
#
# 27 ILE QG2 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 410, 411, 412,
igr2=1223,1224,1225,
&end
#
# 27 ILE QG2 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 410, 411, 412,
igr2=1223,1224,1225,
&end
#
# 27 ILE QG2 77 PHE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 410, 411, 412,
&end
#
# 27 ILE QG2 77 PHE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 410, 411, 412,
&end
#
# 27 ILE HA 79 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 406,1219, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 27 ILE HA 80 HIE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 406,1236, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 27 ILE QG2 29 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 410, 411, 412,
&end
#
# 27 ILE QG1 31 TRP H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 414, 415,
&end
#
# 27 ILE QG2 31 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 410, 411, 412,
&end
#
# 27 ILE QG1 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 414, 415,
igr2=1534,1535,1536,
&end
#
# 27 ILE QG1 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 414, 415,
igr2=1223,1224,1225,
&end
#
# 27 ILE HA 79 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1223,1224,1225,
&end
#
# 27 ILE QD 80 HIE H 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 417, 418, 419,
&end
#
# 27 ILE QD 99 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 417, 418, 419,
igr2=1568,1569,1570,
&end
#
# 27 ILE HB 79 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1227,1228,
&end
#
# 27 ILE QG2 77 PHE QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 410, 411, 412,
igr2=1181,1182,
&end
#
# 27 ILE HA 77 PHE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1185,1193,
&end
#
# 28 LEU HA 28 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 423, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 28 LEU HA 28 LEU HG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 28 LEU QD1 28 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434,
&end
#
# 28 LEU QD2 28 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 423, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 436, 437, 438,
&end
#
# 28 LEU HA 29 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 28 LEU QQD 29 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
&end
#
# 28 LEU H 29 LYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 423, 442, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 28 LEU H 78 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 423,1199, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 28 LEU H 79 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 423,1219, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 28 LEU H 79 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1223,1224,1225,
&end
#
# 28 LEU QQD 78 PHE QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2=1201,1202,
&end
#
# 28 LEU QQD 78 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2=1205,1213,
&end
#
# 28 LEU QQD 78 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2=1207,1211,
&end
#
# 28 LEU H 78 PHE QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1201,1202,
&end
#
# 28 LEU H 78 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1205,1213,
&end
#
# 28 LEU QQD 29 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2= 452, 453,
&end
#
# 28 LEU QQD 29 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2= 455, 456,
&end
#
# 28 LEU QQD 40 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2= 633, 634,
&end
#
# 28 LEU QQD 40 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 432, 433, 434, 436, 437, 438,
&end
#
# 28 LEU HG 40 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 430, 631, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 28 LEU H 78 PHE QE 8.00
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1207,1211,
&end
#
# 28 LEU H 79 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1223,1224,1225,
&end
#
# 28 LEU QQD 79 ILE QG2 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2=1223,1224,1225,
&end
#
# 28 LEU HA 41 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 653, 654, 655,
&end
#
# 28 LEU HA 30 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 477, 478, 479,
&end
#
# 28 LEU HA 56 ILE H 10.00
&rst
ixpk= 0, nxpk= 0, iat= 425, 849, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 28 LEU QQD 46 PRO QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 432, 433, 434, 436, 437, 438,
igr2= 728, 729,
&end
#
# 29 LYS H 29 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 29 LYS H 29 LYS QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 446, 447,
&end
#
# 29 LYS H 29 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 455, 456,
&end
#
# 29 LYS HA 29 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 455, 456,
&end
#
# 29 LYS QB 29 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 446, 447,
igr2= 455, 456,
&end
#
# 29 LYS H 30 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 29 LYS HA 30 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 444, 464, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 29 LYS HA 39 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 444, 615, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 29 LYS HA 40 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 444, 631, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 29 LYS HA 40 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 633, 634,
&end
#
# 29 LYS H 77 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 442,1179, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 29 LYS H 78 PHE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 442,1197, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 29 LYS H 78 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 442,1199, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 29 LYS H 78 PHE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 442,1201, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 29 LYS H 78 PHE HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 442,1202, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 29 LYS H 78 PHE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1201,1202,
&end
#
# 29 LYS H 78 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1205,1213,
&end
#
# 29 LYS H 78 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1207,1211,
&end
#
# 29 LYS H 79 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 442,1219, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 29 LYS H 79 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1223,1224,1225,
&end
#
# 29 LYS H 79 ILE QD 10.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2=1230,1231,1232,
&end
#
# 29 LYS QE 38 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 455, 456,
igr2= 602, 611,
&end
#
# 29 LYS QE 38 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 455, 456,
igr2= 604, 609,
&end
#
# 29 LYS QB 40 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 446, 447,
igr2= 633, 634,
&end
#
# 29 LYS QG 40 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 449, 450,
igr2= 633, 634,
&end
#
# 29 LYS QE 40 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 455, 456,
igr2= 633, 634,
&end
#
# 29 LYS QD 38 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 452, 453,
igr2= 602, 611,
&end
#
# 29 LYS QD 38 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 452, 453,
igr2= 604, 609,
&end
#
# 29 LYS QE 56 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 455, 456,
igr2= 862, 863, 864,
&end
#
# 29 LYS QE 38 TYR H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 455, 456,
&end
#
# 29 LYS H 41 ILE HB 10.00
&rst
ixpk= 0, nxpk= 0, iat= 442, 644, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 29 LYS H 41 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 650, 651,
&end
#
# 29 LYS QE 91 TRP H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 455, 456,
&end
#
# 29 LYS QE 78 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 455, 456,
igr2=1205,1213,
&end
#
# 29 LYS QE 61 LEU QQD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 455, 456,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 29 LYS QE 67 ILE HB 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 455, 456,
&end
#
# 30 ILE HA 30 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 466, 464, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HB 30 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 468, 464, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HB 30 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 477, 478, 479,
&end
#
# 30 ILE HB 30 ILE QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 470, 471, 472,
&end
#
# 30 ILE HA 31 TRP H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 466, 483, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 30 ILE H 31 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 30 ILE QG2 31 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 470, 471, 472,
&end
#
# 30 ILE QD 31 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 477, 478, 479,
&end
#
# 30 ILE H 38 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 596, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 30 ILE H 39 THR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 615, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HA 39 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 466, 615, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HA 40 SER H 8.00
&rst
ixpk= 0, nxpk= 0, iat= 466, 629, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 30 ILE H 40 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 631, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 30 ILE H 40 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 629, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 30 ILE QD 39 THR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 477, 478, 479,
&end
#
# 30 ILE H 39 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 621, 622, 623,
&end
#
# 30 ILE QG2 77 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 470, 471, 472,
igr2=1187,1191,
&end
#
# 30 ILE QD 77 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 477, 478, 479,
igr2=1187,1191,
&end
#
# 30 ILE QG2 77 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 470, 471, 472,
&end
#
# 30 ILE HA 77 PHE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 466,1179, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 30 ILE HA 78 PHE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 466,1197, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 30 ILE HA 78 PHE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 466,1197, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 30 ILE H 38 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 602, 611,
&end
#
# 30 ILE QD 39 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 477, 478, 479,
&end
#
# 30 ILE QG2 41 ILE QG1 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 470, 471, 472,
igr2= 650, 651,
&end
#
# 30 ILE H 61 LEU QB 10.00
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2= 947, 948,
&end
#
# 30 ILE HB 77 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1187,1191,
&end
#
# 30 ILE QD 75 LYS QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 477, 478, 479,
igr2=1154,1155,
&end
#
# 31 TRP HA 31 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 485, 483, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 31 TRP HA 32 ASP H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 485, 507, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 31 TRP H 32 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 483, 507, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP QB 32 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 487, 488,
&end
#
# 31 TRP H 76 CYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 483,1166, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP H 76 CYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1170,1171,
&end
#
# 31 TRP H 77 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 483,1179, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP H 78 PHE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 483,1197, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HA 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 485, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HA 38 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 485, 596, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 31 TRP HA 38 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 485, 594, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 31 TRP HA 39 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 485, 615, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HZ2 36 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 496, 557, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 31 TRP HH2 36 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, 557, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 72 ILE HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 493,1106, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 31 TRP HE1 37 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 493, 577, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 31 TRP HE1 72 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1117,1118,1119,
&end
#
# 31 TRP HE1 72 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1114,1115,
&end
#
# 31 TRP HE1 73 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493,1123, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 73 ASN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493,1125, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 74 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493,1137, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 76 CYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1170,1171,
&end
#
# 31 TRP HE1 33 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 493, 529, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 31 TRP HE1 33 PRO QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 526, 527,
&end
#
# 31 TRP HE1 33 PRO QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 523, 524,
&end
#
# 31 TRP HE1 33 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 520, 521,
&end
#
# 31 TRP HE1 67 ILE QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1028,1029,1030,
&end
#
# 31 TRP HE1 67 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1035,1036,1037,
&end
#
# 31 TRP HE1 67 ILE HG12 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493,1032, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 67 ILE HG13 5.00
&rst
ixpk= 0, nxpk= 0, iat= 493,1033, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 31 TRP HE1 67 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1035,1036,1037,
&end
#
# 31 TRP HZ2 72 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 496, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1110,1111,1112,
&end
#
# 31 TRP HH2 72 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1110,1111,1112,
&end
#
# 31 TRP HZ3 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 31 TRP HH2 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 31 TRP H 77 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1185,1193,
&end
#
# 31 TRP HE1 38 TYR QD 10.00
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2= 602, 611,
&end
#
# 31 TRP QB 75 LYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 487, 488,
&end
#
# 31 TRP HE1 34 SER H 7.00
&rst
ixpk= 0, nxpk= 0, iat= 493, 533, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50, &end
#
# 31 TRP HH2 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 31 TRP HA 32 ASP QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 511, 512,
&end
#
# 31 TRP HH2 36 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 568, 569,
&end
#
# 32 ASP H 32 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 509, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 32 ASP H 32 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 511, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 32 ASP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 512, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 32 ASP QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 511, 512,
&end
#
# 32 ASP H 36 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 555, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP QB 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 511, 512,
&end
#
# 32 ASP H 38 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 596, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 39 THR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 615, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 32 ASP HB2 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 511, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP HB3 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 512, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP QB 34 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 511, 512,
&end
#
# 32 ASP HA 33 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 509, 520, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 32 ASP HA 33 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 509, 521, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 32 ASP HA 33 PRO QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 520, 521,
&end
#
# 32 ASP HA 34 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 509, 533, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 32 ASP H 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 507, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 76 CYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 507,1166, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 32 ASP HA 76 CYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 509,1166, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP QB 35 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 511, 512,
&end
#
# 32 ASP QB 35 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 511, 512,
&end
#
# 32 ASP H 33 PRO QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 523, 524,
&end
#
# 32 ASP HA 75 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 509,1144, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 32 ASP H 91 TRP QB 10.00
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2=1421,1422,
&end
#
# 33 PRO HA 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 529, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 33 PRO HB2 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 526, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 33 PRO HB3 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 527, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 33 PRO QG 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 523, 524,
&end
#
# 33 PRO QD 34 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 520, 521,
&end
#
# 33 PRO HA 35 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 529, 544, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 33 PRO HA 36 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 529, 555, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 33 PRO HA 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 529, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 33 PRO QG 36 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 523, 524,
&end
#
# 33 PRO QD 75 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 520, 521,
&end
#
# 33 PRO QD 76 CYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 520, 521,
&end
#
# 33 PRO QB 74 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 526, 527,
&end
#
# 33 PRO HA 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 529, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 33 PRO QB 35 SER QB 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 526, 527,
igr2= 548, 549,
&end
#
# 33 PRO HA 36 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 568, 569,
&end
#
# 33 PRO HA 72 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 529, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1110,1111,1112,
&end
#
# 33 PRO QD 73 ASN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1125, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 520, 521,
&end
#
# 34 SER H 34 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 533, 535, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 34 SER H 34 SER QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 537, 538,
&end
#
# 34 SER H 35 SER H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 533, 544, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 34 SER H 35 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 533, 546, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 34 SER H 36 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 533, 555, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 34 SER HA 36 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 555, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 34 SER H 36 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 533, 557, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 34 SER HA 35 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 535, 544, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 34 SER QB 35 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 537, 538,
&end
#
# 34 SER H 35 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 548, 549,
&end
#
# 34 SER QB 35 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 537, 538,
igr2= 548, 549,
&end
#
# 34 SER QB 36 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 537, 538,
&end
#
# 35 SER H 35 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 546, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 35 SER H 35 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 548, 549,
&end
#
# 35 SER HA 35 SER QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 548, 549,
&end
#
# 35 SER H 36 LYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 555, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 35 SER HA 36 LYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 546, 555, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 35 SER HA 36 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 546, 557, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 35 SER HA 36 LYS QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 559, 560,
&end
#
# 35 SER HA 36 LYS QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 568, 569,
&end
#
# 35 SER QB 36 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 548, 549,
&end
#
# 35 SER H 36 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 544, 557, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 35 SER H 36 LYS QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 559, 560,
&end
#
# 35 SER H 37 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 544, 577, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 35 SER HA 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 546, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 35 SER HA 37 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 546, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 584, 585,
&end
#
# 35 SER QB 37 MET QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 548, 549,
igr2= 584, 585,
&end
#
# 35 SER QB 37 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 548, 549,
igr2= 588, 589, 590,
&end
#
# 35 SER QB 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 548, 549,
&end
#
# 35 SER H 72 ILE HA 10.00
&rst
ixpk= 0, nxpk= 0, iat= 544,1106, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 36 LYS H 36 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 557, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 36 LYS H 36 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 562, 563,
&end
#
# 36 LYS H 36 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 568, 569,
&end
#
# 36 LYS HA 36 LYS QG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 562, 563,
&end
#
# 36 LYS QG 36 LYS QE 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 562, 563,
igr2= 568, 569,
&end
#
# 36 LYS H 37 MET H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 577, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 36 LYS HA 37 MET H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 557, 577, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 36 LYS QB 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 559, 560,
&end
#
# 36 LYS QG 37 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 562, 563,
&end
#
# 36 LYS QE 37 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 577, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 568, 569,
&end
#
# 36 LYS H 75 LYS QD 10.00
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2=1154,1155,
&end
#
# 36 LYS QG 72 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 562, 563,
igr2=1110,1111,1112,
&end
#
# 36 LYS QB 61 LEU QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 559, 560,
igr2= 947, 948,
&end
#
# 36 LYS QB 72 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 559, 560,
igr2=1114,1115,
&end
#
# 36 LYS QB 60 LYS QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 559, 560,
igr2= 928, 929,
&end
#
# 36 LYS QG 67 ILE QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 562, 563,
igr2=1028,1029,1030,
&end
#
# 36 LYS HA 72 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1110,1111,1112,
&end
#
# 36 LYS QB 37 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 559, 560,
igr2= 584, 585,
&end
#
# 36 LYS QG 72 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 562, 563,
igr2=1110,1111,1112,
&end
#
# 36 LYS QD 72 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 565, 566,
igr2=1110,1111,1112,
&end
#
# 37 MET H 37 MET HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 577, 579, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 37 MET H 37 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 588, 589, 590,
&end
#
# 37 MET H 38 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 577, 594, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 37 MET H 38 TYR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 577, 596, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 37 MET H 38 TYR QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 598, 599,
&end
#
# 37 MET HA 38 TYR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 579, 594, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 37 MET QE 38 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 588, 589, 590,
&end
#
# 37 MET QE 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 588, 589, 590,
&end
#
# 37 MET QE 60 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 588, 589, 590,
&end
#
# 37 MET QE 58 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 588, 589, 590,
&end
#
# 37 MET QE 58 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 588, 589, 590,
&end
#
# 37 MET QE 58 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 588, 589, 590,
&end
#
# 37 MET H 61 LEU H 8.00
&rst
ixpk= 0, nxpk= 0, iat= 577, 943, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 37 MET H 61 LEU QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 947, 948,
&end
#
# 37 MET H 58 PRO QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 897, 898,
&end
#
# 37 MET H 72 ILE HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= 577,1106, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 37 MET H 38 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 602, 611,
&end
#
# 37 MET H 67 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1035,1036,1037,
&end
#
# 38 TYR H 38 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 594, 596, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 38 TYR H 38 TYR QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 598, 599,
&end
#
# 38 TYR H 38 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 602, 611,
&end
#
# 38 TYR H 38 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 604, 609,
&end
#
# 38 TYR HA 38 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 602, 611,
&end
#
# 38 TYR H 39 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 594, 615, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR H 58 PRO HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 594, 900, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 38 TYR H 59 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 594, 904, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 38 TYR HA 39 THR H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 596, 615, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 38 TYR HB2 39 THR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 598, 615, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 38 TYR HB3 39 THR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 599, 615, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 38 TYR QD 39 THR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 40 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
igr2= 633, 634,
&end
#
# 38 TYR QE 40 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 604, 609,
igr2= 633, 634,
&end
#
# 38 TYR QD 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 602, 611,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 38 TYR QE 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 604, 609,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 38 TYR QD 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 602, 611,
&end
#
# 38 TYR QE 59 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 604, 609,
&end
#
# 38 TYR QD 61 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
&end
#
# 38 TYR QE 61 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 604, 609,
&end
#
# 38 TYR QD 61 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
&end
#
# 38 TYR QE 61 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 604, 609,
&end
#
# 38 TYR QD 61 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
&end
#
# 38 TYR QE 61 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 604, 609,
&end
#
# 38 TYR QE 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 604, 609,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 38 TYR HH 61 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 607, 943, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR QE 40 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 604, 609,
igr2= 633, 634,
&end
#
# 38 TYR QD 40 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 602, 611,
igr2= 633, 634,
&end
#
# 38 TYR QD 40 SER H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 629, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 62 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
&end
#
# 38 TYR QE 62 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 604, 609,
&end
#
# 38 TYR H 58 PRO QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 897, 898,
&end
#
# 38 TYR H 61 LEU HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 594, 947, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR H 61 LEU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 594, 948, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR QD 41 ILE H 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 67 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
igr2=1035,1036,1037,
&end
#
# 38 TYR QE 61 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 604, 609,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 38 TYR QD 61 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
&end
#
# 38 TYR QE 59 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 604, 609,
igr2= 908, 909,
&end
#
# 38 TYR QD 58 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 602, 611,
&end
#
# 38 TYR HD1 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 602, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD2 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 611, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR QD 59 GLN HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 61 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 602, 611,
igr2= 947, 948,
&end
#
# 38 TYR HD1 91 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 602,1434, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD2 91 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 611,1434, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD1 91 TRP HH2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 602,1432, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HD2 91 TRP HH2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 611,1432, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HE1 58 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 604, 900, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HE2 58 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 609, 900, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 38 TYR HE1 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 604, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HE2 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 609, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 38 TYR HE1 59 GLN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 908, 909,
&end
#
# 38 TYR HE2 59 GLN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 908, 909,
&end
#
# 38 TYR QD 56 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
igr2= 855, 856, 857,
&end
#
# 38 TYR QD 56 ILE HB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 56 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
igr2= 862, 863, 864,
&end
#
# 38 TYR QD 57 LYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 57 LYS HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 58 PRO QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
igr2= 891, 892,
&end
#
# 38 TYR QD 60 LYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 61 LEU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 61 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 61 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 602, 611,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 38 TYR QD 62 GLY H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
&end
#
# 38 TYR QD 65 GLU QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
igr2=1000,1001,
&end
#
# 38 TYR QD 65 GLU QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 602, 611,
igr2=1003,1004,
&end
#
# 38 TYR QE 56 ILE HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 604, 609,
&end
#
# 38 TYR QE 56 ILE HB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 604, 609,
&end
#
# 38 TYR QE 56 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 604, 609,
igr2= 855, 856, 857,
&end
#
# 38 TYR QE 56 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 604, 609,
igr2= 862, 863, 864,
&end
#
# 38 TYR QE 57 LYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 604, 609,
&end
#
# 38 TYR QE 57 LYS HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 604, 609,
&end
#
# 38 TYR QE 57 LYS QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 604, 609,
igr2= 872, 873,
&end
#
# 38 TYR QB 58 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 900, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 598, 599,
&end
#
# 38 TYR QB 59 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 598, 599,
&end
#
# 38 TYR QB 61 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 598, 599,
igr2= 947, 948,
&end
#
# 38 TYR QB 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 598, 599,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 39 THR H 39 THR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 617, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 39 THR H 39 THR HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 619, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 39 THR H 39 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 621, 622, 623,
&end
#
# 39 THR HA 40 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 39 THR HB 40 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 619, 629, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 39 THR H 40 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 629, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 39 THR HA 56 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 617, 849, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 39 THR H 56 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 862, 863, 864,
&end
#
# 39 THR QG2 58 PRO HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 621, 622, 623,
&end
#
# 39 THR QG2 58 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 621, 622, 623,
&end
#
# 39 THR QG2 58 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 621, 622, 623,
igr2= 891, 892,
&end
#
# 39 THR QG2 58 PRO QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 621, 622, 623,
igr2= 897, 898,
&end
#
# 39 THR H 59 GLN H 7.00
&rst
ixpk= 0, nxpk= 0, iat= 615, 904, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50, &end
#
# 39 THR QG2 55 GLU QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 621, 622, 623,
igr2= 838, 839,
&end
#
# 39 THR QG2 59 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 621, 622, 623,
&end
#
# 39 THR QG2 56 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 621, 622, 623,
&end
#
# 40 SER H 40 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 631, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 40 SER H 40 SER QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 633, 634,
&end
#
# 40 SER HA 41 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 631, 640, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 40 SER QB 41 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 640, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 633, 634,
&end
#
# 40 SER H 41 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 640, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 40 SER H 56 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 853, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 40 SER H 56 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 862, 863, 864,
&end
#
# 40 SER QB 56 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 633, 634,
igr2= 862, 863, 864,
&end
#
# 40 SER H 56 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 855, 856, 857,
&end
#
# 40 SER H 58 PRO HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, 900, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 40 SER H 55 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 629, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 838, 839,
&end
#
# 40 SER HA 41 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 650, 651,
&end
#
# 41 ILE H 41 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 640, 642, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 41 ILE QD 43 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 653, 654, 655,
igr2= 677, 678,
&end
#
# 41 ILE HA 42 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 660, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 41 ILE HA 42 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 661, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 41 ILE HA 42 PRO QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 660, 661,
&end
#
# 41 ILE QD 42 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 653, 654, 655,
igr2= 660, 661,
&end
#
# 41 ILE HB 42 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 660, 661,
&end
#
# 41 ILE QG2 42 PRO HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 646, 647, 648,
&end
#
# 41 ILE QG2 42 PRO HD3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 661, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 646, 647, 648,
&end
#
# 41 ILE HA 56 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 849, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 41 ILE HA 57 LYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat= 642, 868, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 41 ILE QG2 55 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 646, 647, 648,
&end
#
# 41 ILE QG2 55 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 646, 647, 648,
igr2= 838, 839,
&end
#
# 41 ILE QG2 55 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 646, 647, 648,
igr2= 841, 842,
&end
#
# 41 ILE QD 56 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 653, 654, 655,
igr2= 859, 860,
&end
#
# 41 ILE QD 43 ASN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 653, 654, 655,
igr2= 677, 678,
&end
#
# 41 ILE QG2 42 PRO HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 669, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1= 646, 647, 648,
&end
#
# 41 ILE HB 56 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 859, 860,
&end
#
# 42 PRO HA 43 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 42 PRO HA 44 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 669, 687, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 42 PRO QD 56 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 660, 661,
igr2= 862, 863, 864,
&end
#
# 42 PRO QD 56 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 660, 661,
igr2= 859, 860,
&end
#
# 42 PRO QB 53 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 666, 667,
igr2= 804, 805, 806,
&end
#
# 42 PRO QD 54 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 660, 661,
igr2= 819, 820,
&end
#
# 42 PRO QB 54 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 666, 667,
&end
#
# 42 PRO HB2 51 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 775, 776,
&end
#
# 42 PRO HB3 51 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 775, 776,
&end
#
# 43 ASN QB 54 LYS H 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 812, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1= 677, 678,
&end
#
# 44 ASP H 44 ASP QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 691, 692,
&end
#
# 44 ASP HA 45 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 689, 699, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 44 ASP QB 45 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 691, 692,
&end
#
# 45 LYS H 45 LYS QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 703, 704,
&end
#
# 45 LYS QB 46 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 703, 704,
igr2= 722, 723,
&end
#
# 45 LYS HA 46 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 722, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 45 LYS HA 46 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 701, 723, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 45 LYS HA 46 PRO QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 722, 723,
&end
#
# 45 LYS H 46 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 722, 723,
&end
#
# 45 LYS H 52 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 792, 793, 794,
&end
#
# 46 PRO QB 50 SER H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 728, 729,
&end
#
# 46 PRO QG 49 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 725, 726,
&end
#
# 46 PRO QD 53 THR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 722, 723,
&end
#
# 46 PRO HD2 52 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 792, 793, 794,
&end
#
# 46 PRO HD3 52 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 792, 793, 794,
&end
#
# 46 PRO QD 52 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 722, 723,
igr2= 792, 793, 794,
&end
#
# 46 PRO QD 47 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 722, 723,
&end
#
# 46 PRO QD 48 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 722, 723,
&end
#
# 46 PRO QD 52 ALA H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 722, 723,
&end
#
# 46 PRO QD 52 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 722, 723,
&end
#
# 46 PRO QG 47 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 725, 726,
&end
#
# 46 PRO QG 48 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 725, 726,
&end
#
# 46 PRO QG 49 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 725, 726,
&end
#
# 46 PRO QB 47 GLY H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 728, 729,
&end
#
# 46 PRO QB 47 GLY QA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 728, 729,
igr2= 737, 738,
&end
#
# 46 PRO QB 48 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 742, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 728, 729,
&end
#
# 46 PRO HA 47 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 731, 735, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 46 PRO HA 47 GLY HA2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 731, 737, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 46 PRO HA 47 GLY HA3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 731, 738, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 46 PRO HA 47 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 731, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 737, 738,
&end
#
# 46 PRO HA 48 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 731, 742, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 47 GLY QA 47 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 735, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 737, 738,
&end
#
# 47 GLY H 48 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 47 GLY H 48 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 744, 745,
&end
#
# 47 GLY HA2 48 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 47 GLY HA3 48 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 738, 742, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 47 GLY QA 48 GLY HA2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 737, 738,
&end
#
# 47 GLY QA 48 GLY HA3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 737, 738,
&end
#
# 48 GLY H 49 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 742, 749, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 48 GLY H 49 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 742, 751, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 48 GLY HA2 49 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 744, 749, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 48 GLY HA3 49 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 48 GLY QA 49 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 744, 745,
&end
#
# 48 GLY QA 49 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 744, 745,
igr2= 753, 754,
&end
#
# 49 SER H 49 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 749, 751, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 49 SER H 50 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 749, 760, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 49 SER HA 50 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 751, 760, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 49 SER HA 50 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 751, 762, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 49 SER HA 50 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 764, 765,
&end
#
# 49 SER QB 50 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 753, 754,
&end
#
# 50 SER H 51 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 771, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 50 SER H 51 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 760, 773, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 50 SER HA 51 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 762, 771, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 50 SER HA 51 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 762, 773, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 50 SER HA 51 GLN QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 778, 779,
&end
#
# 50 SER QB 51 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 771, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 764, 765,
&end
#
# 50 SER QB 51 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 773, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 764, 765,
&end
#
# 51 GLN H 52 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 771, 788, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 51 GLN H 52 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 771, 790, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 51 GLN H 51 GLN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 775, 776,
&end
#
# 51 GLN QB 52 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 775, 776,
&end
#
# 51 GLN QB 53 THR HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 775, 776,
&end
#
# 51 GLN HA 52 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 773, 788, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 51 GLN HA 52 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 773, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 792, 793, 794,
&end
#
# 51 GLN QB 52 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 775, 776,
igr2= 792, 793, 794,
&end
#
# 51 GLN QG 52 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 778, 779,
igr2= 792, 793, 794,
&end
#
# 52 ALA HA 52 ALA H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 788, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 52 ALA QB 52 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 792, 793, 794,
&end
#
# 52 ALA HA 53 THR H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 798, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 52 ALA QB 53 THR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 798, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 792, 793, 794,
&end
#
# 52 ALA QB 53 THR HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 792, 793, 794,
&end
#
# 52 ALA QB 56 ILE HA 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 792, 793, 794,
&end
#
# 52 ALA H 53 THR H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 788, 798, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 52 ALA HA 53 THR HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 800, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 52 ALA HA 53 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 790, 802, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 53 THR H 53 THR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 798, 800, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 53 THR H 54 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 798, 812, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 53 THR HA 54 LYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 800, 812, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 53 THR HA 53 THR QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 804, 805, 806,
&end
#
# 53 THR HB 56 ILE HB 8.00
&rst
ixpk= 0, nxpk= 0, iat= 802, 853, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 53 THR HA 56 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 862, 863, 864,
&end
#
# 53 THR HA 54 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 800, 814, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 54 LYS H 54 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 814, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 54 LYS QB 54 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 816, 817,
igr2= 825, 826,
&end
#
# 54 LYS HA 55 GLU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 814, 834, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 54 LYS QB 55 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 816, 817,
&end
#
# 54 LYS QG 55 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 819, 820,
&end
#
# 54 LYS QD 55 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 822, 823,
&end
#
# 54 LYS H 55 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 834, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 54 LYS QG 54 LYS QE 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 819, 820,
igr2= 825, 826,
&end
#
# 54 LYS H 56 ILE QG2 10.00
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2= 855, 856, 857,
&end
#
# 54 LYS H 56 ILE QG1 8.00
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2= 859, 860,
&end
#
# 54 LYS H 55 GLU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 812, 836, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 54 LYS HA 55 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 814, 836, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 54 LYS HA 55 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 838, 839,
&end
#
# 54 LYS HA 56 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= 814, 849, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 54 LYS QB 55 GLU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 816, 817,
&end
#
# 54 LYS QB 55 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 816, 817,
igr2= 838, 839,
&end
#
# 54 LYS QB 56 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 816, 817,
&end
#
# 54 LYS QB 56 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 816, 817,
&end
#
# 54 LYS QB 56 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 816, 817,
igr2= 859, 860,
&end
#
# 55 GLU H 55 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 834, 836, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 55 GLU H 55 GLU QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 838, 839,
&end
#
# 55 GLU HA 56 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 836, 849, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 55 GLU QB 56 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 838, 839,
&end
#
# 55 GLU QG 56 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 841, 842,
&end
#
# 55 GLU HA 56 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 836, 851, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HA 56 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 836, 853, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 55 GLU HA 56 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 859, 860,
&end
#
# 55 GLU H 56 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 834, 849, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 56 ILE H 56 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 849, 851, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 56 ILE H 56 ILE QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 859, 860,
&end
#
# 56 ILE H 56 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 855, 856, 857,
&end
#
# 56 ILE HA 57 LYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 851, 868, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 56 ILE QG1 57 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 859, 860,
&end
#
# 56 ILE QG2 57 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 855, 856, 857,
&end
#
# 56 ILE QD 57 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 868, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 862, 863, 864,
&end
#
# 56 ILE QG2 57 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 870, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 855, 856, 857,
&end
#
# 56 ILE HA 57 LYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 872, 873,
&end
#
# 56 ILE HA 57 LYS QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 875, 876,
&end
#
# 56 ILE H 57 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 849, 870, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 56 ILE HA 57 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 851, 870, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 56 ILE QG2 59 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 855, 856, 857,
&end
#
# 57 LYS H 57 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 868, 870, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 57 LYS H 57 LYS QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 872, 873,
&end
#
# 57 LYS H 57 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 881, 882,
&end
#
# 57 LYS H 58 PRO QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2= 897, 898,
&end
#
# 57 LYS QB 57 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 872, 873,
igr2= 881, 882,
&end
#
# 57 LYS HA 58 PRO QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 870, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2= 891, 892,
&end
#
# 57 LYS HA 58 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 870, 891, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 57 LYS HA 58 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 870, 892, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 57 LYS H 59 GLN HA 7.00
&rst
ixpk= 0, nxpk= 0, iat= 868, 906, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50, &end
#
# 57 LYS QB 58 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 872, 873,
igr2= 891, 892,
&end
#
# 57 LYS QB 58 PRO QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 872, 873,
igr2= 894, 895,
&end
#
# 58 PRO HA 59 GLN H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 900, 904, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 58 PRO HA 59 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 58 PRO HA 59 GLN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 900, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 908, 909,
&end
#
# 58 PRO HB2 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 897, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 58 PRO HB3 59 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 898, 904, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 58 PRO QB 59 GLN H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 897, 898,
&end
#
# 58 PRO QG 59 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 894, 895,
&end
#
# 58 PRO QD 59 GLN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 891, 892,
&end
#
# 58 PRO QB 59 GLN HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 897, 898,
&end
#
# 59 GLN H 59 GLN HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 904, 906, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 59 GLN HA 60 LYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 906, 921, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 59 GLN H 60 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 904, 921, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 59 GLN HA 60 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 906, 923, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 59 GLN HA 60 LYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 925, 926,
&end
#
# 59 GLN H 61 LEU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 947, 948,
&end
#
# 60 LYS HA 60 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 923, 921, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 60 LYS HB2 60 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 925, 921, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 60 LYS HB3 60 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 926, 921, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 60 LYS QB 60 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 925, 926,
&end
#
# 60 LYS QG 60 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 928, 929,
&end
#
# 60 LYS QE 60 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 934, 935,
&end
#
# 60 LYS H 61 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 921, 943, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 60 LYS HA 61 LEU H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 923, 943, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 60 LYS QE 61 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 934, 935,
&end
#
# 60 LYS QB 61 LEU HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 925, 926,
&end
#
# 60 LYS HA 61 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 923, 943, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 60 LYS HA 61 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 60 LYS H 61 LEU HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 921, 945, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 61 LEU H 61 LEU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 943, 945, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 61 LEU H 61 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 943, 950, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 61 LEU H 61 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 952, 953, 954, 956, 957, 958,
&end
#
# 61 LEU H 62 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 943, 962, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 61 LEU HA 62 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 945, 962, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 61 LEU HB2 62 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 947, 962, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 61 LEU HB3 62 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 948, 962, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 61 LEU QB 62 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 947, 948,
&end
#
# 61 LEU QQD 62 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 61 LEU HG 67 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1035,1036,1037,
&end
#
# 61 LEU QD1 67 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 952, 953, 954,
igr2=1035,1036,1037,
&end
#
# 61 LEU QD2 67 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 956, 957, 958,
igr2=1035,1036,1037,
&end
#
# 61 LEU QQD 67 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 952, 953, 954, 956, 957, 958,
igr2=1035,1036,1037,
&end
#
# 61 LEU QQD 67 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 952, 953, 954, 956, 957, 958,
igr2=1028,1029,1030,
&end
#
# 61 LEU QD1 67 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 952, 953, 954,
igr2=1032,1033,
&end
#
# 61 LEU QD2 67 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 956, 957, 958,
igr2=1032,1033,
&end
#
# 61 LEU QQD 91 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 61 LEU QQD 65 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 61 LEU QQD 65 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 952, 953, 954, 956, 957, 958,
igr2=1003,1004,
&end
#
# 61 LEU QD2 62 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 956, 957, 958,
igr2= 964, 965,
&end
#
# 61 LEU QD1 62 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 952, 953, 954,
igr2= 964, 965,
&end
#
# 61 LEU QQD 62 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 952, 953, 954, 956, 957, 958,
igr2= 964, 965,
&end
#
# 61 LEU QQD 67 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 61 LEU HG 67 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 950,1022, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 61 LEU QQD 65 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 61 LEU QQD 65 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 952, 953, 954, 956, 957, 958,
igr2=1003,1004,
&end
#
# 61 LEU HG 65 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1003,1004,
&end
#
# 61 LEU QQD 66 SER QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 952, 953, 954, 956, 957, 958,
igr2=1015,1016,
&end
#
# 61 LEU QQD 66 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1= 952, 953, 954, 956, 957, 958,
&end
#
# 61 LEU QB 63 GLU QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1= 947, 948,
igr2= 976, 977,
&end
#
# 62 GLY QA 62 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 962, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1= 964, 965,
&end
#
# 62 GLY H 63 GLU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= 962, 969, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 62 GLY HA2 63 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 964, 969, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 62 GLY HA3 63 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 965, 969, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 62 GLY QA 63 GLU H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00,
igr1= 964, 965,
&end
#
# 62 GLY H 64 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 962, 984, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 62 GLY QA 64 ASP H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1= 964, 965,
&end
#
# 62 GLY HA2 64 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 964, 984, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 62 GLY HA3 64 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 965, 984, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 62 GLY H 91 TRP HZ2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 962,1430, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 62 GLY H 91 TRP HH2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 962,1432, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 63 GLU H 64 ASP H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 969, 984, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 63 GLU H 63 GLU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat= 969, 971, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 63 GLU H 63 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2= 973, 974,
&end
#
# 63 GLU H 63 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2= 976, 977,
&end
#
# 63 GLU HA 64 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 971, 984, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 63 GLU QB 64 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 973, 974,
&end
#
# 64 ASP HA 64 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 986, 984, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 64 ASP QB 64 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1= 988, 989,
&end
#
# 64 ASP HA 65 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 986, 996, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 64 ASP QB 65 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 996, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1= 988, 989,
&end
#
# 64 ASP H 65 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= 984, 996, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 65 GLU H 65 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 996, 998, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 65 GLU H 65 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 996, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1000,1001,
&end
#
# 65 GLU H 65 GLU HG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 996,1003, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 65 GLU H 65 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 996,1004, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 65 GLU HA 65 GLU QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1003,1004,
&end
#
# 65 GLU H 66 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= 996,1011, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 65 GLU HA 66 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat= 998,1011, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 65 GLU QG 66 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1003,1004,
&end
#
# 65 GLU HA 91 TRP HE1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 998,1427, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 65 GLU QG 91 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1003,1004,
&end
#
# 65 GLU HA 90 GLU H 8.00
&rst
ixpk= 0, nxpk= 0, iat= 998,1402, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 65 GLU HA 90 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 998,1404, r1= 1.30, r2= 1.8, r3= 5.50, r4= 6.00, &end
#
# 65 GLU QG 67 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1003,1004,
igr2=1028,1029,1030,
&end
#
# 65 GLU HA 92 VAL H 10.00
&rst
ixpk= 0, nxpk= 0, iat= 998,1441, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 65 GLU QB 78 PHE H 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1=1000,1001,
&end
#
# 66 SER H 66 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1011,1013, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 66 SER H 66 SER QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1015,1016,
&end
#
# 66 SER HA 67 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1013,1022, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 66 SER QB 67 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1022, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1015,1016,
&end
#
# 66 SER H 67 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1011,1022, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 66 SER H 91 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1011,1427, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 66 SER H 67 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1035,1036,1037,
&end
#
# 66 SER QB 67 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1015,1016,
igr2=1028,1029,1030,
&end
#
# 66 SER HA 68 PRO HA 8.00
&rst
ixpk= 0, nxpk= 0, iat=1013,1051, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 67 ILE H 67 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1022,1024, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 67 ILE H 67 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1028,1029,1030,
&end
#
# 67 ILE H 67 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1035,1036,1037,
&end
#
# 67 ILE HA 67 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1028,1029,1030,
&end
#
# 67 ILE QD 91 TRP HE1 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1=1035,1036,1037,
&end
#
# 67 ILE QG1 91 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1032,1033,
&end
#
# 67 ILE QG2 91 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1028,1029,1030,
&end
#
# 67 ILE QG2 71 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1028,1029,1030,
&end
#
# 67 ILE QG2 72 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1028,1029,1030,
&end
#
# 67 ILE QG2 71 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1028,1029,1030,
igr2=1098,1099,1100,
&end
#
# 67 ILE QG2 71 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1028,1029,1030,
igr2=1091,1092,1093,
&end
#
# 67 ILE QD 72 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1035,1036,1037,
igr2=1117,1118,1119,
&end
#
# 67 ILE QG2 72 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1028,1029,1030,
igr2=1117,1118,1119,
&end
#
# 67 ILE QD 72 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1035,1036,1037,
igr2=1114,1115,
&end
#
# 67 ILE QD 76 CYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1035,1036,1037,
igr2=1170,1171,
&end
#
# 67 ILE HA 68 PRO HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1024,1042, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 67 ILE HA 68 PRO HD3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1024,1043, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 67 ILE HA 68 PRO QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1042,1043,
&end
#
# 67 ILE QG2 68 PRO HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1028,1029,1030,
&end
#
# 67 ILE QG2 68 PRO HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1028,1029,1030,
&end
#
# 67 ILE QG2 68 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1028,1029,1030,
igr2=1042,1043,
&end
#
# 67 ILE H 72 ILE QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1110,1111,1112,
&end
#
# 67 ILE H 71 ILE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1098,1099,1100,
&end
#
# 67 ILE QG2 74 GLY H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1028,1029,1030,
&end
#
# 67 ILE H 73 ASN H 10.00
&rst
ixpk= 0, nxpk= 0, iat=1022,1123, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 67 ILE HA 91 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1024,1427, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 67 ILE QD 76 CYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1035,1036,1037,
igr2=1170,1171,
&end
#
# 67 ILE QG2 76 CYS QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1028,1029,1030,
igr2=1170,1171,
&end
#
# 67 ILE HA 67 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1035,1036,1037,
&end
#
# 67 ILE HA 78 PHE HA 10.00
&rst
ixpk= 0, nxpk= 0, iat=1024,1199, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 67 ILE HA 68 PRO HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1024,1051, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 68 PRO HA 69 GLU H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1051,1055, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 68 PRO QB 69 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1048,1049,
&end
#
# 68 PRO QD 69 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1042,1043,
&end
#
# 68 PRO HA 70 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1051,1070, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 68 PRO QB 70 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1048,1049,
&end
#
# 68 PRO HA 71 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1051,1085, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 68 PRO QD 71 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1042,1043,
igr2=1098,1099,1100,
&end
#
# 68 PRO QB 71 ILE QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1048,1049,
igr2=1098,1099,1100,
&end
#
# 68 PRO QD 71 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1042,1043,
&end
#
# 68 PRO QB 71 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1048,1049,
&end
#
# 69 GLU H 69 GLU HA 3.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1057, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 69 GLU H 69 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1059,1060,
&end
#
# 69 GLU H 69 GLU QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1062,1063,
&end
#
# 69 GLU HA 69 GLU QG 3.00
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1062,1063,
&end
#
# 69 GLU H 70 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1070, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 69 GLU HA 70 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1057,1070, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 69 GLU QB 70 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1059,1060,
&end
#
# 69 GLU QG 70 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1062,1063,
&end
#
# 69 GLU H 71 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1055,1085, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 69 GLU HA 71 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1057,1085, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 69 GLU HA 72 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1057,1104, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 69 GLU QB 72 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1059,1060,
&end
#
# 69 GLU HA 72 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1057,1108, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 69 GLU HA 72 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1110,1111,1112,
&end
#
# 69 GLU HA 72 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1117,1118,1119,
&end
#
# 69 GLU QB 72 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1059,1060,
igr2=1110,1111,1112,
&end
#
# 69 GLU QG 72 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1062,1063,
igr2=1110,1111,1112,
&end
#
# 69 GLU QG 72 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1062,1063,
igr2=1117,1118,1119,
&end
#
# 69 GLU H 72 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1110,1111,1112,
&end
#
# 70 GLU H 70 GLU HA 3.00
&rst
ixpk= 0, nxpk= 0, iat=1070,1072, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 70 GLU H 70 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1074,1075,
&end
#
# 70 GLU H 70 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1077,1078,
&end
#
# 70 GLU H 71 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1070,1085, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 70 GLU H 71 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1091,1092,1093,
&end
#
# 70 GLU H 72 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1070,1104, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 70 GLU HA 71 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1072,1085, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 70 GLU QB 71 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1074,1075,
&end
#
# 70 GLU QG 71 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1077,1078,
&end
#
# 70 GLU HA 72 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1072,1104, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 70 GLU HA 73 ASN H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1072,1123, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 70 GLU QB 71 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1074,1075,
igr2=1098,1099,1100,
&end
#
# 70 GLU QG 71 ILE QG2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1077,1078,
igr2=1091,1092,1093,
&end
#
# 71 ILE H 71 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1085,1087, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 71 ILE H 71 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1085,1089, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 71 ILE H 71 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1091,1092,1093,
&end
#
# 71 ILE HB 71 ILE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1098,1099,1100,
&end
#
# 71 ILE H 71 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1098,1099,1100,
&end
#
# 71 ILE H 72 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1085,1104, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 71 ILE QG2 72 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1091,1092,1093,
&end
#
# 71 ILE H 73 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1085,1123, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 71 ILE H 73 ASN QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1132,1133,
&end
#
# 71 ILE HA 74 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1087,1137, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 71 ILE QD 93 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1098,1099,1100,
&end
#
# 71 ILE QG2 93 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1091,1092,1093,
&end
#
# 71 ILE QG2 94 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1091,1092,1093,
&end
#
# 71 ILE H 72 ILE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1085,1106, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 71 ILE H 72 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1117,1118,1119,
&end
#
# 71 ILE QD 76 CYS QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1098,1099,1100,
igr2=1170,1171,
&end
#
# 71 ILE QD 91 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1098,1099,1100,
&end
#
# 72 ILE H 72 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1104,1106, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 72 ILE H 72 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1104,1108, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 72 ILE H 72 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1114,1115,
&end
#
# 72 ILE H 72 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1110,1111,1112,
&end
#
# 72 ILE H 72 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1117,1118,1119,
&end
#
# 72 ILE HA 72 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1117,1118,1119,
&end
#
# 72 ILE HB 72 ILE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1117,1118,1119,
&end
#
# 72 ILE H 73 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1104,1123, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 72 ILE HA 73 ASN H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1106,1123, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 72 ILE HA 74 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1106,1137, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 72 ILE QG2 73 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1110,1111,1112,
&end
#
# 72 ILE QG2 73 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1110,1111,1112,
&end
#
# 72 ILE QG2 73 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1110,1111,1112,
&end
#
# 72 ILE QG2 73 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1110,1111,1112,
igr2=1132,1133,
&end
#
# 72 ILE QG2 73 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1110,1111,1112,
igr2=1127,1128,
&end
#
# 72 ILE QG2 74 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1110,1111,1112,
&end
#
# 72 ILE QD 74 GLY H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1117,1118,1119,
&end
#
# 72 ILE H 76 CYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat=1104,1166, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 72 ILE QG1 73 ASN QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1114,1115,
igr2=1127,1128,
&end
#
# 73 ASN H 73 ASN HA 3.00
&rst
ixpk= 0, nxpk= 0, iat=1123,1125, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 73 ASN HB2 73 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1127,1123, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HB3 73 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1128,1123, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 73 ASN QB 74 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1127,1128,
&end
#
# 73 ASN HD21 73 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1123, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HD21 73 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1123, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 73 ASN QD2 73 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1132,1133,
&end
#
# 73 ASN HA 74 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1125,1137, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 73 ASN HB2 74 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1127,1137, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 73 ASN HB3 74 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1128,1137, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 73 ASN QB 74 GLY H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1=1127,1128,
&end
#
# 73 ASN HD21 74 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1132,1137, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 73 ASN HD22 74 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 73 ASN QD2 74 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1137, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1132,1133,
&end
#
# 73 ASN H 74 GLY H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1123,1137, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 74 GLY H 74 GLY HA2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1137,1139, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 74 GLY H 74 GLY HA3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1137,1140, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 74 GLY H 74 GLY QA 3.00
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1139,1140,
&end
#
# 74 GLY H 75 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1137,1144, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 74 GLY HA2 75 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1139,1144, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 74 GLY HA3 75 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1140,1144, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 74 GLY QA 75 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1139,1140,
&end
#
# 74 GLY QA 94 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1139,1140,
&end
#
# 74 GLY QA 94 TYR QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1139,1140,
igr2=1468,1469,
&end
#
# 74 GLY QA 94 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1139,1140,
igr2=1472,1481,
&end
#
# 74 GLY QA 93 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1139,1140,
igr2=1459,1460,
&end
#
# 74 GLY QA 75 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1139,1140,
igr2=1151,1152,
&end
#
# 74 GLY QA 75 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1139,1140,
&end
#
# 75 LYS H 75 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1146, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 75 LYS H 75 LYS QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1151,1152,
&end
#
# 75 LYS H 75 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1154,1155,
&end
#
# 75 LYS HA 75 LYS QG 3.00
&rst
ixpk= 0, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1151,1152,
&end
#
# 75 LYS H 76 CYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1144,1166, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 75 LYS HA 76 CYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1146,1166, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 75 LYS QB 76 CYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1148,1149,
&end
#
# 75 LYS HG2 76 CYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1151,1166, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 75 LYS HG3 76 CYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1152,1166, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 75 LYS QG 76 CYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1151,1152,
&end
#
# 75 LYS QE 76 CYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1157,1158,
&end
#
# 75 LYS QG 77 PHE HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1151,1152,
&end
#
# 75 LYS QG 77 PHE HE2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1151,1152,
&end
#
# 75 LYS QG 77 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1151,1152,
&end
#
# 75 LYS QD 77 PHE QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1154,1155,
igr2=1187,1191,
&end
#
# 75 LYS QD 77 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1154,1155,
&end
#
# 75 LYS H 94 TYR QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1468,1469,
&end
#
# 75 LYS QB 94 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1148,1149,
&end
#
# 75 LYS QG 94 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1151,1152,
igr2=1472,1481,
&end
#
# 75 LYS QD 94 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1154,1155,
igr2=1472,1481,
&end
#
# 75 LYS QE 76 CYS QB 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1157,1158,
igr2=1170,1171,
&end
#
# 76 CYS HA 76 CYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1168,1166, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 76 CYS QB 76 CYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1170,1171,
&end
#
# 76 CYS HA 76 CYS QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1170,1171,
&end
#
# 76 CYS HA 77 PHE H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1168,1177, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 76 CYS H 77 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1166,1177, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 76 CYS HA 92 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1168,1441, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 76 CYS HA 93 GLY H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1168,1457, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 76 CYS HA 93 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1459,1460,
&end
#
# 76 CYS H 77 PHE HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1166,1187, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 76 CYS H 77 PHE HE2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1166,1191, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 76 CYS QB 91 TRP HZ3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1170,1171,
&end
#
# 76 CYS QB 91 TRP HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1170,1171,
&end
#
# 76 CYS H 77 PHE QE 6.00
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1187,1191,
&end
#
# 76 CYS HA 94 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1168,1464, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 77 PHE HA 77 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1179,1177, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 77 PHE QB 77 PHE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1181,1182,
&end
#
# 77 PHE QD 77 PHE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1185,1193,
&end
#
# 77 PHE QE 77 PHE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1177, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1187,1191,
&end
#
# 77 PHE H 78 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1177,1197, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 77 PHE HA 78 PHE H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1179,1197, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 77 PHE QB 78 PHE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1181,1182,
&end
#
# 77 PHE H 92 VAL H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1177,1441, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 77 PHE H 92 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1177,1443, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 77 PHE H 92 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 77 PHE QB 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1181,1182,
igr2=1223,1224,1225,
&end
#
# 77 PHE QD 79 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1185,1193,
igr2=1223,1224,1225,
&end
#
# 77 PHE H 71 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1098,1099,1100,
&end
#
# 77 PHE HB2 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1534,1535,1536,
&end
#
# 77 PHE HB3 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1534,1535,1536,
&end
#
# 77 PHE QB 97 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1181,1182,
igr2=1534,1535,1536,
&end
#
# 77 PHE HD1 97 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1534,1535,1536,
&end
#
# 77 PHE HD2 97 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1534,1535,1536,
&end
#
# 77 PHE QD 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1185,1193,
igr2=1534,1535,1536,
&end
#
# 77 PHE QB 92 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1181,1182,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 77 PHE H 91 TRP HE3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1177,1436, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 77 PHE H 79 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1223,1224,1225,
&end
#
# 77 PHE QB 92 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1181,1182,
&end
#
# 77 PHE QD 92 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1185,1193,
&end
#
# 77 PHE QE 92 VAL QG2 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1187,1191,
igr2=1451,1452,1453,
&end
#
# 77 PHE H 91 TRP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1421,1422,
&end
#
# 77 PHE H 93 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1459,1460,
&end
#
# 77 PHE QB 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1181,1182,
igr2=1527,1528,1529,
&end
#
# 77 PHE QE 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1187,1191,
igr2=1527,1528,1529,
&end
#
# 77 PHE QE 94 TYR QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1187,1191,
igr2=1468,1469,
&end
#
# 77 PHE QE 94 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1187,1191,
&end
#
# 78 PHE H 78 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1197,1199, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 78 PHE H 78 PHE QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1201,1202,
&end
#
# 78 PHE H 78 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1205,1213,
&end
#
# 78 PHE HA 78 PHE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1205,1213,
&end
#
# 78 PHE QD 91 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1205,1213,
&end
#
# 78 PHE QD 91 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1205,1213,
&end
#
# 78 PHE HA 91 TRP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1199,1419, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 78 PHE HA 91 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1199,1417, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 78 PHE HA 92 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1199,1441, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 78 PHE QD 79 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1205,1213,
&end
#
# 78 PHE QE 79 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1207,1211,
&end
#
# 78 PHE QB 91 TRP HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1201,1202,
&end
#
# 78 PHE QB 91 TRP HZ3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1434, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1201,1202,
&end
#
# 78 PHE QB 91 TRP HZ2 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1430, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1201,1202,
&end
#
# 78 PHE QE 89 ASP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1207,1211,
igr2=1394,1395,
&end
#
# 78 PHE H 79 ILE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1197,1217, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 78 PHE HA 79 ILE H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1199,1217, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 78 PHE QE 89 ASP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1207,1211,
&end
#
# 78 PHE QE 90 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1207,1211,
&end
#
# 78 PHE QE 90 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1207,1211,
&end
#
# 78 PHE H 79 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1230,1231,1232,
&end
#
# 78 PHE QD 91 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1205,1213,
&end
#
# 78 PHE QD 92 VAL H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1205,1213,
&end
#
# 78 PHE QE 89 ASP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1207,1211,
igr2=1394,1395,
&end
#
# 79 ILE H 79 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1217,1219, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 79 ILE H 80 HIE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1217,1236, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 79 ILE HA 80 HIE H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1219,1236, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 79 ILE HB 80 HIE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1221,1236, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 79 ILE QG1 80 HIE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1227,1228,
&end
#
# 79 ILE QG2 80 HIE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1223,1224,1225,
&end
#
# 79 ILE QD 80 HIE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1236, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1230,1231,1232,
&end
#
# 79 ILE H 90 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1217,1402, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 79 ILE H 90 GLU HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1217,1404, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 79 ILE H 90 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1406,1407,
&end
#
# 79 ILE H 90 GLU QG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1409,1410,
&end
#
# 79 ILE H 91 TRP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1421,1422,
&end
#
# 79 ILE H 92 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1217,1441, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 79 ILE H 92 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 79 ILE H 97 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1534,1535,1536,
&end
#
# 79 ILE QD 90 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
&end
#
# 79 ILE QG1 90 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1227,1228,
&end
#
# 79 ILE QD 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1230,1231,1232,
igr2=1527,1528,1529,
&end
#
# 79 ILE QG2 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1223,1224,1225,
igr2=1534,1535,1536,
&end
#
# 79 ILE QD 92 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 79 ILE QD 81 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
igr2=1261,1270,
&end
#
# 79 ILE QD 81 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
igr2=1263,1268,
&end
#
# 79 ILE QD 90 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
igr2=1406,1407,
&end
#
# 79 ILE QD 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
igr2=1534,1535,1536,
&end
#
# 79 ILE QG1 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1227,1228,
igr2=1534,1535,1536,
&end
#
# 79 ILE HB 90 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1221,1402, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 79 ILE QG1 91 TRP HE1 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1=1227,1228,
&end
#
# 79 ILE QG1 89 ASP H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1227,1228,
&end
#
# 79 ILE HB 81 TYR H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1221,1253, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 79 ILE QD 90 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1230,1231,1232,
igr2=1406,1407,
&end
#
# 79 ILE QD 90 GLU QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1230,1231,1232,
igr2=1409,1410,
&end
#
# 79 ILE QG1 82 GLN QG 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1=1227,1228,
igr2=1281,1282,
&end
#
# 79 ILE QD 90 GLU QG 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1230,1231,1232,
igr2=1409,1410,
&end
#
# 79 ILE QD 92 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
igr2=1447,1448,1449,
&end
#
# 79 ILE QD 92 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1230,1231,1232,
igr2=1451,1452,1453,
&end
#
# 79 ILE QD 92 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1230,1231,1232,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 79 ILE QG1 92 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1227,1228,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 79 ILE QG1 90 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1227,1228,
igr2=1406,1407,
&end
#
# 79 ILE HA 89 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1219,1392, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 79 ILE HA 90 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1219,1402, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 79 ILE HA 91 TRP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1219,1419, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 80 HIE H 80 HIE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1236,1238, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 80 HIE H 80 HIE HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1236,1240, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 80 HIE H 80 HIE HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1236,1241, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 80 HIE H 80 HIE HD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1236,1249, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HA 81 TYR H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1238,1253, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 80 HIE QB 81 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1240,1241,
&end
#
# 80 HIE HA 89 ASP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1238,1392, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HA 90 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1238,1402, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HA 89 ASP QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1394,1395,
&end
#
# 80 HIE HA 89 ASP H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1238,1390, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 80 HIE HE1 82 GLN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1245,1276, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HE1 83 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1245,1291, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HD2 86 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1249,1346, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 80 HIE HD2 81 TYR H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1249,1253, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 80 HIE HA 80 HIE HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1238,1249, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 80 HIE QB 82 GLN QE2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1240,1241,
igr2=1286,1287,
&end
#
# 81 TYR H 82 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1253,1274, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 81 TYR H 81 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1253,1255, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 81 TYR H 81 TYR QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1257,1258,
&end
#
# 81 TYR H 81 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1261,1270,
&end
#
# 81 TYR HA 82 GLN H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1255,1274, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 81 TYR QD 82 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1261,1270,
&end
#
# 81 TYR H 89 ASP HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1253,1392, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 81 TYR H 88 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1253,1366, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 81 TYR H 90 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1253,1402, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 81 TYR HD1 90 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1261,1402, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 81 TYR H 97 ILE QG1 10.00
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2=1531,1532,
&end
#
# 81 TYR QD 88 TRP H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1261,1270,
&end
#
# 82 GLN HA 82 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1274, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 82 GLN HB2 82 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1278,1274, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 82 GLN HB2 82 GLN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1278,1274, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 82 GLN QB 82 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1278,1279,
&end
#
# 82 GLN QG 82 GLN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1281,1282,
&end
#
# 82 GLN H 83 GLY H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1291, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 82 GLN H 84 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1298, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 82 GLN HA 83 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1291, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 82 GLN QB 83 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1278,1279,
&end
#
# 82 GLN QB 83 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1293, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1278,1279,
&end
#
# 82 GLN QB 83 GLY HA3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1294, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1278,1279,
&end
#
# 82 GLN HA 84 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1298, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 82 GLN QB 84 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1278,1279,
&end
#
# 82 GLN H 89 ASP H 10.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1390, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 82 GLN HA 89 ASP H 10.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1390, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 82 GLN QE2 84 TRP H 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1286,1287,
&end
#
# 82 GLN H 90 GLU H 9.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1402, r1= 1.30, r2= 1.8, r3= 9.00, r4= 9.50, &end
#
# 82 GLN H 83 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1293,1294,
&end
#
# 82 GLN H 84 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1274,1306, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 82 GLN HA 84 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1276,1306, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 83 GLY H 83 GLY HA2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1291,1293, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 83 GLY H 83 GLY HA3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1291,1294, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 83 GLY H 84 TRP H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1291,1298, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 83 GLY QA 84 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1293,1294,
&end
#
# 83 GLY QA 84 TRP HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1300, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1293,1294,
&end
#
# 83 GLY QA 84 TRP HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1293,1294,
&end
#
# 83 GLY H 84 TRP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1291,1300, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP H 84 TRP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1300, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 84 TRP H 84 TRP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1302, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 84 TRP H 84 TRP HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1303, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 84 TRP H 84 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 84 TRP H 84 TRP HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1317, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HA 85 LYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1300,1322, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 84 TRP HA 86 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1300,1344, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP H 85 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1322, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 84 TRP H 87 SER HA 10.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1357, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 84 TRP H 86 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1344, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP H 86 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1298,1346, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HD1 85 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1306,1322, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HA 85 LYS QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1326,1327,
&end
#
# 84 TRP QB 84 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1308, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1302,1303,
&end
#
# 84 TRP QB 84 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1302,1303,
&end
#
# 84 TRP QB 84 TRP HE3 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1302,1303,
&end
#
# 84 TRP HZ3 85 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1315,1322, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HE3 85 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1317,1322, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 84 TRP HE3 85 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1317,1324, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS H 85 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1324, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 85 LYS H 85 LYS QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1326,1327,
&end
#
# 85 LYS H 85 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1329,1330,
&end
#
# 85 LYS H 85 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1332,1333,
&end
#
# 85 LYS H 85 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1322, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1335,1336,
&end
#
# 85 LYS H 86 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1344, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 85 LYS HA 86 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1324,1344, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 85 LYS HA 87 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1324,1355, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 85 LYS HA 88 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1324,1366, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 85 LYS QB 86 SER H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00,
igr1=1326,1327,
&end
#
# 85 LYS QD 86 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1332,1333,
&end
#
# 85 LYS QE 86 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1344, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1335,1336,
&end
#
# 85 LYS QG 88 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1329,1330,
&end
#
# 85 LYS QG 88 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1329,1330,
&end
#
# 85 LYS QB 88 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1326,1327,
&end
#
# 85 LYS QB 88 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1326,1327,
&end
#
# 85 LYS QB 87 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1326,1327,
igr2=1359,1360,
&end
#
# 85 LYS QB 87 SER HG 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1326,1327,
&end
#
# 85 LYS H 88 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1366, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS H 88 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1374, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS H 88 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1376, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS H 88 TRP HZ2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1379, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS QB 88 TRP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1326,1327,
&end
#
# 85 LYS QG 87 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1329,1330,
&end
#
# 85 LYS QG 88 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1329,1330,
&end
#
# 85 LYS QG 88 TRP HD1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1329,1330,
&end
#
# 85 LYS QD 87 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1332,1333,
&end
#
# 85 LYS H 86 SER HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1346, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS HA 86 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1324,1346, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 85 LYS HA 86 SER QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1324, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1348,1349,
&end
#
# 85 LYS H 87 SER H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1355, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS H 88 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1322,1366, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 85 LYS QB 87 SER H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1326,1327,
&end
#
# 85 LYS QB 88 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1326,1327,
&end
#
# 86 SER H 86 SER HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1344,1346, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 86 SER H 86 SER HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1344,1348, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 86 SER H 86 SER HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1344,1349, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 86 SER H 87 SER H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1344,1355, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 86 SER HA 87 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1346,1355, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 86 SER H 88 TRP H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1344,1366, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 86 SER QB 87 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1348,1349,
&end
#
# 86 SER HA 88 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1346,1366, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 86 SER HA 89 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1346,1392, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 86 SER HA 89 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1346,1390, r1= 1.30, r2= 1.8, r3= 5.50, r4= 6.00, &end
#
# 86 SER QB 88 TRP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1348,1349,
&end
#
# 87 SER H 87 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1355,1357, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 87 SER H 87 SER QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1359,1360,
&end
#
# 87 SER H 88 TRP H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1355,1366, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 87 SER H 89 ASP H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1355,1390, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 87 SER HA 88 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1357,1366, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 87 SER QB 88 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1366, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1359,1360,
&end
#
# 87 SER HA 89 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1357,1390, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 87 SER QB 89 ASP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1359,1360,
&end
#
# 87 SER HB2 88 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1359,1376, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 87 SER HB3 88 TRP HE1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1360,1376, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 87 SER HA 89 ASP QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1394,1395,
&end
#
# 87 SER H 88 TRP HD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1355,1374, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 87 SER HA 88 TRP HD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1357,1374, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 88 TRP H 88 TRP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1366,1368, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 88 TRP H 88 TRP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1366,1370, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 88 TRP H 88 TRP HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1366,1371, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 88 TRP H 88 TRP QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1370,1371,
&end
#
# 88 TRP HA 89 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1368,1390, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 88 TRP QB 89 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1390, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1370,1371,
&end
#
# 88 TRP H 88 TRP HD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1366,1374, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 88 TRP H 88 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1366,1376, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 88 TRP H 89 ASP H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1366,1390, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 88 TRP HE1 90 GLU QB 8.00
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr2=1406,1407,
&end
#
# 88 TRP H 90 GLU QB 7.00
&rst
ixpk= 0, nxpk= 0, iat=1366, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr2=1406,1407,
&end
#
# 88 TRP HA 90 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1368,1402, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 88 TRP HA 90 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1368, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1406,1407,
&end
#
# 88 TRP QB 90 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1370,1371,
igr2=1406,1407,
&end
#
# 88 TRP HE3 90 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1385,1402, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 89 ASP H 89 ASP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1390,1392, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 89 ASP H 89 ASP QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1394,1395,
&end
#
# 89 ASP H 90 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1390, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1406,1407,
&end
#
# 89 ASP HA 90 GLU H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1392,1402, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 89 ASP H 90 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1390,1402, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 89 ASP HA 91 TRP H 6.50
&rst
ixpk= 0, nxpk= 0, iat=1392,1417, r1= 1.30, r2= 1.8, r3= 6.50, r4= 7.00, &end
#
# 90 GLU HA 90 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1404,1402, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 90 GLU QB 90 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1406,1407,
&end
#
# 90 GLU HA 91 TRP H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1404,1417, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 90 GLU H 91 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1402,1417, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 90 GLU HA 91 TRP H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1404,1417, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 90 GLU QB 91 TRP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1406,1407,
&end
#
# 90 GLU HG2 92 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1409, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 90 GLU HG3 92 VAL QQG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 90 GLU QG 92 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1409,1410,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 91 TRP H 91 TRP HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1417,1419, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 91 TRP H 92 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1417,1441, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 91 TRP HA 92 VAL H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1419,1441, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 91 TRP HB2 92 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1421,1441, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 91 TRP HB3 92 VAL H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1422,1441, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 91 TRP QB 92 VAL H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1441, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1421,1422,
&end
#
# 91 TRP H 92 VAL H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1417,1441, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 91 TRP H 91 TRP HD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1417,1425, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 91 TRP H 91 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1417,1427, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 91 TRP HE3 92 VAL H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1436,1441, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 91 TRP HE1 92 VAL H 8.00
&rst
ixpk= 0, nxpk= 0, iat=1427,1441, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 91 TRP QB 91 TRP HE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1427, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1421,1422,
&end
#
# 91 TRP HE1 93 GLY H 10.00
&rst
ixpk= 0, nxpk= 0, iat=1427,1457, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50, &end
#
# 92 VAL H 92 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1443, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 92 VAL H 92 VAL HB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1445, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 92 VAL H 92 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1441, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1447,1448,1449,1451,1452,1453,
&end
#
# 92 VAL HA 93 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1443,1457, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 92 VAL H 93 GLY H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1441,1457, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 92 VAL HB 93 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1445,1457, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 92 VAL QG1 97 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1447,1448,1449,
igr2=1534,1535,1536,
&end
#
# 92 VAL QG2 97 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1451,1452,1453,
igr2=1534,1535,1536,
&end
#
# 92 VAL QQG 97 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1534,1535,1536,
&end
#
# 92 VAL QG1 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1447,1448,1449,
igr2=1527,1528,1529,
&end
#
# 92 VAL QG2 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1451,1452,1453,
igr2=1527,1528,1529,
&end
#
# 92 VAL QQG 97 ILE QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1447,1448,1449,1451,1452,1453,
igr2=1531,1532,
&end
#
# 92 VAL QQG 97 ILE HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1525, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 92 VAL QQG 97 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1447,1448,1449,1451,1452,1453,
&end
#
# 92 VAL HB 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1445, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1534,1535,1536,
&end
#
# 92 VAL HB 96 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1445,1497, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 92 VAL HB 98 ARG H 7.00
&rst
ixpk= 0, nxpk= 0, iat=1445,1540, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50, &end
#
# 93 GLY H 93 GLY QA 3.00
&rst
ixpk= 0, nxpk= 0, iat=1457, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1459,1460,
&end
#
# 93 GLY H 94 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1457,1464, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 93 GLY HA2 94 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1459,1464, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 93 GLY HA3 94 TYR H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1460,1464, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 93 GLY QA 95 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1459,1460,
&end
#
# 93 GLY H 95 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1457,1485, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 93 GLY H 96 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1457,1497, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 94 TYR H 94 TYR HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1464,1466, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 94 TYR H 94 TYR QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1468,1469,
&end
#
# 94 TYR H 94 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1472,1481,
&end
#
# 94 TYR H 95 ASP H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1464,1485, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 94 TYR H 95 ASP HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1464,1487, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 94 TYR HA 95 ASP H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 94 TYR QB 95 ASP H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1468,1469,
&end
#
# 94 TYR QD 95 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1472,1481,
&end
#
# 94 TYR HA 97 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1466,1521, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 94 TYR HA 96 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1466,1497, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 94 TYR QB 97 ILE H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1468,1469,
&end
#
# 94 TYR H 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1527,1528,1529,
&end
#
# 94 TYR HA 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1527,1528,1529,
&end
#
# 94 TYR HA 97 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1534,1535,1536,
&end
#
# 94 TYR QB 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1468,1469,
igr2=1527,1528,1529,
&end
#
# 94 TYR HE1 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1527,1528,1529,
&end
#
# 94 TYR HE2 97 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1479, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1527,1528,1529,
&end
#
# 95 ASP H 95 ASP HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1485,1487, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 95 ASP H 96 ARG H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1485,1497, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 95 ASP HA 96 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1487,1497, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 95 ASP H 97 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1485,1521, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 95 ASP HA 97 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1487,1521, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 95 ASP H 96 ARG HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1485,1499, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 95 ASP H 98 ARG HA 8.00
&rst
ixpk= 0, nxpk= 0, iat=1485,1542, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 95 ASP H 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1527,1528,1529,
&end
#
# 96 ARG H 96 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1499, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 96 ARG H 96 ARG HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1501, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 96 ARG H 96 ARG HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1502, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 96 ARG HA 97 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1499,1521, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 96 ARG H 97 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1521, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 96 ARG H 97 ILE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1523, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 96 ARG H 97 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497,1525, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 96 ARG H 97 ILE QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1497, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1527,1528,1529,
&end
#
# 97 ILE H 97 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1521,1523, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 97 ILE H 97 ILE HB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1521,1525, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 97 ILE H 97 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1531,1532,
&end
#
# 97 ILE H 97 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1527,1528,1529,
&end
#
# 97 ILE HA 97 ILE QG1 3.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1531,1532,
&end
#
# 97 ILE HA 97 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1527,1528,1529,
&end
#
# 97 ILE H 97 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1521, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1534,1535,1536,
&end
#
# 97 ILE H 97 ILE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1521,1523, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 97 ILE H 98 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1521,1540, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 97 ILE HA 98 ARG H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1523,1540, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 97 ILE QG1 98 ARG H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1531,1532,
&end
#
# 97 ILE QG2 98 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1527,1528,1529,
&end
#
# 97 ILE QD 98 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1540, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1534,1535,1536,
&end
#
# 97 ILE HB 97 ILE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1534,1535,1536,
&end
#
# 97 ILE QG2 97 ILE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1527,1528,1529,
igr2=1534,1535,1536,
&end
#
# 97 ILE QG1 99 ALA QB 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1531,1532,
igr2=1568,1569,1570,
&end
#
# 98 ARG H 98 ARG HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1540,1542, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 98 ARG H 98 ARG HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1540,1550, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 98 ARG H 98 ARG HD3 6.00
&rst
ixpk= 0, nxpk= 0, iat=1540,1551, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 98 ARG H 98 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1550,1551,
&end
#
# 98 ARG HA 98 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1550,1551,
&end
#
# 98 ARG H 99 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1540,1564, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 98 ARG HA 99 ALA H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1542,1564, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 98 ARG QB 99 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1544,1545,
&end
#
# 98 ARG HA 99 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1568,1569,1570,
&end
#
# 98 ARG QB 99 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1544,1545,
igr2=1568,1569,1570,
&end
#
# 98 ARG H 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1540, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1693,1694,1695,
&end
#
# 98 ARG QD 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1550,1551,
igr2=1693,1694,1695,
&end
#
# 98 ARG HB2 104 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat=1544,1648, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 98 ARG HB3 104 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat=1545,1649, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 98 ARG QB 104 ASN QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1544,1545,
igr2=1648,1649,
&end
#
# 98 ARG QD 104 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1649, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1550,1551,
&end
#
# 98 ARG HA 104 ASN QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1542, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1648,1649,
&end
#
# 98 ARG QD 101 ASN H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1550,1551,
&end
#
# 98 ARG QD 104 ASN H 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1550,1551,
&end
#
# 99 ALA H 99 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1564,1566, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 99 ALA H 100 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1564,1574, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 99 ALA HA 100 TYR H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1566,1574, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 99 ALA QB 100 TYR H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1574, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1568,1569,1570,
&end
#
# 99 ALA QB 101 ASN QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1568,1569,1570,
igr2=1599,1600,
&end
#
# 99 ALA QB 101 ASN H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1568,1569,1570,
&end
#
# 99 ALA QB 101 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1604, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1568,1569,1570,
&end
#
# 99 ALA QB 101 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1605, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1568,1569,1570,
&end
#
# 99 ALA H 104 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1648,1649,
&end
#
# 99 ALA QB 104 ASN QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1568,1569,1570,
igr2=1648,1649,
&end
#
# 100 TYR H 100 TYR HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1574,1576, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 100 TYR HA 101 ASN H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1595, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 100 TYR HB2 101 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1578,1595, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 100 TYR HB3 101 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1579,1595, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 100 TYR QB 101 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1578,1579,
&end
#
# 100 TYR QD 101 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1582,1591,
&end
#
# 100 TYR H 101 ASN H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1574,1595, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 100 TYR HA 105 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1666,1667,1668,
&end
#
# 100 TYR QB 105 ILE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1578,1579,
igr2=1666,1667,1668,
&end
#
# 100 TYR HD1 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1666,1667,1668,
&end
#
# 100 TYR HD2 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1666,1667,1668,
&end
#
# 100 TYR HE1 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1584, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1666,1667,1668,
&end
#
# 100 TYR HE2 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1589, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1666,1667,1668,
&end
#
# 100 TYR HA 101 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1576, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1604,1605,
&end
#
# 100 TYR HA 101 ASN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1576,1597, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 101 ASN QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1599,1600,
&end
#
# 101 ASN H 101 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1604,1605,
&end
#
# 101 ASN H 102 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1595,1609, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 101 ASN HA 102 GLU H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1597,1609, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 101 ASN QB 102 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1599,1600,
&end
#
# 101 ASN HA 103 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1597,1624, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 104 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1595,1639, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 101 ASN HA 104 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1597,1639, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 105 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1595,1653, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 101 ASN H 105 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1663,1664,
&end
#
# 101 ASN H 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1666,1667,1668,
&end
#
# 101 ASN QD2 103 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1604,1605,
&end
#
# 101 ASN QD2 105 ILE QD 8.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50,
igr1=1604,1605,
igr2=1666,1667,1668,
&end
#
# 101 ASN HA 106 ALA QB 10.00
&rst
ixpk= 0, nxpk= 0, iat=1597, -1, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr2=1676,1677,1678,
&end
#
# 101 ASN QB 104 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1599,1600,
igr2=1648,1649,
&end
#
# 101 ASN QD2 103 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1604,1605,
igr2=1628,1629,
&end
#
# 101 ASN QD2 103 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1604,1605,
igr2=1631,1632,
&end
#
# 101 ASN H 104 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1595, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1643,1644,
&end
#
# 101 ASN H 104 ASN HD21 6.00
&rst
ixpk= 0, nxpk= 0, iat=1595,1648, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 101 ASN H 104 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat=1595,1649, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 102 GLU H 102 GLU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1609,1611, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 102 GLU H 102 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1613,1614,
&end
#
# 102 GLU H 102 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1609, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1616,1617,
&end
#
# 102 GLU H 103 GLU H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1609,1624, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 102 GLU H 104 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1609,1639, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 102 GLU HA 103 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1611,1624, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HB2 103 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1613,1624, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HB3 103 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1614,1624, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HA 106 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1611,1672, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 102 GLU HA 105 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1611,1653, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 102 GLU HA 105 ILE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1666,1667,1668,
&end
#
# 102 GLU HA 105 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1611, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1659,1660,1661,
&end
#
# 102 GLU HA 105 ILE HB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1611,1657, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 102 GLU HA 109 LYS H 8.00
&rst
ixpk= 0, nxpk= 0, iat=1611,1721, r1= 1.30, r2= 1.8, r3= 8.00, r4= 8.50, &end
#
# 102 GLU QB 103 GLU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1613,1614,
igr2=1628,1629,
&end
#
# 103 GLU HA 103 GLU H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1626,1624, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 103 GLU HA 103 GLU QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1631,1632,
&end
#
# 103 GLU QB 103 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1628,1629,
&end
#
# 103 GLU QG 103 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1631,1632,
&end
#
# 103 GLU H 104 ASN H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1639, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 103 GLU HA 104 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1626,1639, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 103 GLU QB 104 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1628,1629,
&end
#
# 103 GLU QG 104 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1631,1632,
&end
#
# 103 GLU HA 106 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr2=1676,1677,1678,
&end
#
# 103 GLU H 105 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1624,1653, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 103 GLU HA 105 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1626,1653, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 103 GLU HA 106 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1626,1672, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 103 GLU HA 107 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1626,1682, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 103 GLU QG 106 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1631,1632,
igr2=1676,1677,1678,
&end
#
# 104 ASN HA 104 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1639, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 104 ASN HA 105 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1653, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 104 ASN QB 105 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1643,1644,
&end
#
# 104 ASN HA 106 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1672, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 104 ASN HA 107 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1682, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 104 ASN H 105 ILE H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1639,1653, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 104 ASN H 106 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1639,1672, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 104 ASN HA 107 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1693,1694,1695,
&end
#
# 104 ASN HA 107 MET HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1686, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 104 ASN HA 107 MET HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1687, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 104 ASN HA 107 MET QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1641, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1686,1687,
&end
#
# 104 ASN HA 108 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1641,1699, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 104 ASN QB 104 ASN QD2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1643,1644,
igr2=1648,1649,
&end
#
# 104 ASN H 105 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1639,1657, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 104 ASN H 105 ILE QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1639, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1663,1664,
&end
#
# 105 ILE HA 105 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1655,1653, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 105 ILE HB 105 ILE H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1657,1653, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 105 ILE HB 105 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1657, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1666,1667,1668,
&end
#
# 105 ILE QG2 105 ILE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1659,1660,1661,
&end
#
# 105 ILE QG1 105 ILE HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1655, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1663,1664,
&end
#
# 105 ILE QG1 105 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1663,1664,
&end
#
# 105 ILE QG2 105 ILE H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1659,1660,1661,
&end
#
# 105 ILE QD 105 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1666,1667,1668,
&end
#
# 105 ILE HA 105 ILE QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1655, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1666,1667,1668,
&end
#
# 105 ILE HA 106 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1655,1672, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 105 ILE HB 106 ALA H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1657,1672, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 105 ILE H 106 ALA H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1653,1672, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 105 ILE H 107 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1653,1682, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 105 ILE H 107 MET HA 7.00
&rst
ixpk= 0, nxpk= 0, iat=1653,1684, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50, &end
#
# 105 ILE HA 107 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1655,1682, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 105 ILE HA 108 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1655,1699, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 105 ILE QD 107 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1666,1667,1668,
igr2=1693,1694,1695,
&end
#
# 105 ILE QD 108 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1666,1667,1668,
igr2=1712,1713,
&end
#
# 105 ILE QG2 109 LYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1659,1660,1661,
igr2=1725,1726,
&end
#
# 105 ILE QG2 109 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1659,1660,1661,
igr2=1734,1735,
&end
#
# 105 ILE HA 109 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1655,1721, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 105 ILE QG2 109 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1659,1660,1661,
&end
#
# 105 ILE HA 108 LYS QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1655, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1703,1704,
&end
#
# 105 ILE H 107 MET QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1653, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1686,1687,
&end
#
# 105 ILE QG1 109 LYS H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1663,1664,
&end
#
# 105 ILE QG2 107 MET H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1682, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1659,1660,1661,
&end
#
# 105 ILE QG2 106 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1674, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1659,1660,1661,
&end
#
# 105 ILE QG1 109 LYS QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1663,1664,
igr2=1731,1732,
&end
#
# 105 ILE HB 106 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1657, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1676,1677,1678,
&end
#
# 106 ALA H 106 ALA HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1672,1674, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 106 ALA H 106 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1676,1677,1678,
&end
#
# 106 ALA H 107 MET H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1672,1682, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 106 ALA H 108 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1672,1699, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 106 ALA HA 107 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1674,1682, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 106 ALA QB 107 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1682, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1676,1677,1678,
&end
#
# 106 ALA HA 108 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1674,1699, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 106 ALA HA 109 LYS QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr2=1725,1726,
&end
#
# 106 ALA HA 109 LYS QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1728,1729,
&end
#
# 106 ALA HA 109 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1674, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1731,1732,
&end
#
# 106 ALA HA 109 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1674,1721, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 106 ALA HA 110 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1674,1743, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 106 ALA H 107 MET QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1686,1687,
&end
#
# 106 ALA H 107 MET QG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1689,1690,
&end
#
# 107 MET HA 107 MET H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1682, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 107 MET QB 107 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1682, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1686,1687,
&end
#
# 107 MET QG 107 MET H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1682, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1689,1690,
&end
#
# 107 MET HA 107 MET QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1689,1690,
&end
#
# 107 MET H 108 LYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1682,1699, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 107 MET HA 108 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1699, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 107 MET QB 108 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1686,1687,
&end
#
# 107 MET QE 108 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1693,1694,1695,
&end
#
# 107 MET QE 108 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1693,1694,1695,
&end
#
# 107 MET QG 111 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1689,1690,
igr2=1776,1777,1778,
&end
#
# 107 MET H 109 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1682,1721, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 107 MET HA 109 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1721, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 107 MET HA 110 ARG H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1743, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 107 MET HA 110 ARG QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr2=1747,1748,
&end
#
# 107 MET HA 110 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1750,1751,
&end
#
# 107 MET HA 111 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1684,1767, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 107 MET QG 111 LEU HG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1689,1690,
&end
#
# 107 MET QG 108 LYS HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1689,1690,
&end
#
# 107 MET HA 111 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1684, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1776,1777,1778,
&end
#
# 108 LYS H 108 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1701, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 108 LYS H 109 LYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1699,1721, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 108 LYS HA 109 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1721, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 108 LYS QB 109 LYS H 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr1=1703,1704,
&end
#
# 108 LYS H 110 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1699,1743, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 108 LYS HA 110 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1743, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 108 LYS HA 111 LEU QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr2=1771,1772,
&end
#
# 108 LYS HA 111 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 108 LYS HA 111 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1767, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 108 LYS HA 112 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1701,1786, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 109 LYS HA 109 LYS H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1723,1721, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 109 LYS QB 109 LYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1725,1726,
&end
#
# 109 LYS QB 109 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1725,1726,
igr2=1734,1735,
&end
#
# 109 LYS QG 109 LYS QE 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1728,1729,
igr2=1734,1735,
&end
#
# 109 LYS HG2 109 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1728,1721, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 109 LYS HG3 109 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1729,1721, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 109 LYS QD 109 LYS H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1721, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1731,1732,
&end
#
# 109 LYS HA 110 ARG H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1723,1743, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 109 LYS QB 110 ARG H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1725,1726,
&end
#
# 109 LYS QE 110 ARG H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1743, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1734,1735,
&end
#
# 109 LYS H 110 ARG H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1721,1743, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 109 LYS HA 111 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1723,1767, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 109 LYS H 111 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1721,1767, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 109 LYS HA 112 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1723,1786, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 109 LYS HA 112 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1790,1791,1792,
&end
#
# 109 LYS QG 110 ARG QD 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 7.00, r4= 7.50,
igr1=1728,1729,
igr2=1753,1754,
&end
#
# 109 LYS QG 114 LEU H 10.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.8,r3= 10.00, r4=10.50,
igr1=1728,1729,
&end
#
# 110 ARG H 110 ARG HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1743,1745, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 110 ARG H 110 ARG QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1747,1748,
&end
#
# 110 ARG H 110 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1753,1754,
&end
#
# 110 ARG QB 110 ARG QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr1=1747,1748,
igr2=1753,1754,
&end
#
# 110 ARG HA 110 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1753,1754,
&end
#
# 110 ARG H 111 LEU H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1743,1767, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 110 ARG HA 111 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1745,1767, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 110 ARG QB 111 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1747,1748,
&end
#
# 110 ARG QD 111 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1753,1754,
&end
#
# 110 ARG H 112 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1786, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 112 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1745,1786, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1745,1796, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 110 ARG HA 113 ASN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1745,1800, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1745,1801, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00,
igr2=1800,1801,
&end
#
# 110 ARG HA 113 ASN HD21 5.00
&rst
ixpk= 0, nxpk= 0, iat=1745,1805, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN HD22 5.00
&rst
ixpk= 0, nxpk= 0, iat=1745,1806, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 110 ARG HA 113 ASN QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1745, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1805,1806,
&end
#
# 110 ARG H 113 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1743,1796, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 110 ARG QD 111 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr1=1753,1754,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 111 LEU H 111 LEU HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1767,1769, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 111 LEU H 111 LEU HG 3.00
&rst
ixpk= 0, nxpk= 0, iat=1767,1774, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50, &end
#
# 111 LEU H 111 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1767, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1776,1777,1778,1780,1781,1782,
&end
#
# 111 LEU H 112 ALA H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 111 LEU HA 112 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 111 LEU HA 111 LEU QD2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1769, -1, r1= 1.30, r2= 1.8, r3= 3.00, r4= 3.50,
igr2=1780,1781,1782,
&end
#
# 111 LEU QB 112 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1771,1772,
&end
#
# 111 LEU H 113 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1767,1796, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 111 LEU QQD 112 ALA H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1776,1777,1778,1780,1781,1782,
&end
#
# 111 LEU HA 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1769,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 111 LEU HA 114 LEU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1769, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1814,1815,
&end
#
# 111 LEU HA 114 LEU HG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1769,1817, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 111 LEU HA 113 ASN H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1769,1796, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 111 LEU HA 112 ALA H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 112 ALA H 112 ALA HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1786,1788, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 112 ALA HA 113 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1788,1796, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 112 ALA QB 113 ASN H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1790,1791,1792,
&end
#
# 112 ALA H 113 ASN H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1786,1796, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 112 ALA H 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1786,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 112 ALA HA 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1788,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 112 ALA HA 115 GLU H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1788,1829, r1= 1.30, r2= 1.8, r3= 4.50, r4= 5.00, &end
#
# 112 ALA HA 115 GLU QB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1833,1834,
&end
#
# 112 ALA HA 115 GLU QG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50,
igr2=1836,1837,
&end
#
# 113 ASN H 113 ASN HA 3.50
&rst
ixpk= 0, nxpk= 0, iat=1796,1798, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 113 ASN H 113 ASN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1800, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 113 ASN H 113 ASN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=1796,1801, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 113 ASN H 113 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1805,1806,
&end
#
# 113 ASN H 114 LEU H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1796,1810, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 113 ASN HA 114 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1798,1810, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 113 ASN HB2 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1800,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 113 ASN HB3 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1801,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50, &end
#
# 113 ASN QB 114 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1800,1801,
&end
#
# 113 ASN QD2 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1805,1806,
&end
#
# 113 ASN HA 115 GLU H 6.00
&rst
ixpk= 0, nxpk= 0, iat=1798,1829, r1= 1.30, r2= 1.8, r3= 6.00, r4= 6.50, &end
#
# 114 LEU HA 114 LEU H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1812,1810, r1= 1.30, r2= 1.8, r3= 3.50, r4= 4.00, &end
#
# 114 LEU QB 114 LEU H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr1=1814,1815,
&end
#
# 114 LEU QQD 114 LEU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1810, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1819,1820,1821,1823,1824,1825,
&end
#
# 114 LEU H 115 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1810,1829, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 114 LEU HA 115 GLU H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1812,1829, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 114 LEU QQD 115 GLU H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1829, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr1=1819,1820,1821,1823,1824,1825,
&end
#
# 115 GLU H 115 GLU HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1829,1831, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50, &end
#
# 115 GLU H 115 GLU QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.8, r3= 4.00, r4= 4.50,
igr2=1833,1834,
&end
#
# 115 GLU H 115 GLU QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1829, -1, r1= 1.30, r2= 1.8, r3= 5.00, r4= 5.50,
igr2=1836,1837,
&end
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