NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16544 |
2ad9   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 100 RC H6 100 RC H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1567,1564, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
rk2=20.0, rk3=32.0, ir6=1, ialtd=0,
&end
#
# 100 RC H6 100 RC H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1567,1580, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 100 RC H6 100 RC H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1567,1578, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 100 RC H6 100 RC Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1558,1559,
&end
#
# 101 RU H6 101 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1598,1595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 RU H6 101 RU H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1598,1610, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 101 RU H6 101 RU H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 101 RU H6 101 RU Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1598, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1589,1590,
&end
#
# 101 RU H6 100 RC H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1598,1578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RC H6 102 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1628,1625, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RC H6 102 RC H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat=1628,1641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 102 RC H6 102 RC H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1628,1639, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 RC H6 102 RC Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1619,1620,
&end
#
# 102 RC H6 101 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat=1628,1595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 102 RC H6 101 RU H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1628,1608, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RC H6 101 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1628,1592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RC H5 101 RU H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1630,1595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 102 RC H5 101 RU H3' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1630,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 102 RC H5 101 RU H4' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1630,1592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 103 RU H6 103 RU H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat=1659,1656, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 RU H6 103 RU H2' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1659,1671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 RU H6 103 RU H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1659,1669, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 RU H6 103 RU Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1650,1651,
&end
#
# 103 RU H6 102 RC H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat=1659,1625, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 ARG+ HD2 101 RU H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 232,1598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 ARG+ HD3 101 RU H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= 233,1598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 HIS HE1 101 RU H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 196,1595, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 HIS HE1 101 RU H4' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 196,1592, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 ARG+ QD 101 RU H4' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1592, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 232, 233,
&end
#
# 16 ARG+ QD 101 RU Q5' 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 232, 233,
igr2=1589,1590,
&end
#
# 84 ASN QD2 102 RC H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1311,1312,
&end
#
# 84 ASN QD2 102 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1628, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1311,1312,
&end
#
# 14 HIS HD2 102 RC H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= 199,1630, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 HIS QB 102 RC H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 190, 191,
&end
#
# 50 PHE HD 102 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 771, 779,
&end
#
# 50 PHE HE 102 RC H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 773, 777,
&end
#
# 102 RC H1' 50 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=1625, 775, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 43 LEU QQD 102 RC H1' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 658,1625, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 HIS HD2 102 RC H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 199,1625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 HIS HD2 102 RC H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat=1329,1625, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 14 HIS HE1 102 RC Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1619,1620,
&end
#
# 50 PHE HD 102 RC H4' 7.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr1= 771, 779,
&end
#
# 102 RC H4' 43 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1622, 658, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 RC Q5' 43 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1619,1620,
&end
#
# 102 RC Q5' 48 GLN HNE1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1619,1620,
&end
#
# 102 RC Q5' 48 GLN HNE2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 749, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1619,1620,
&end
#
# 85 HIS HD2 102 RC H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1329,1641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 HIS HE1 102 RC H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1326,1641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 PHE HD 103 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 771, 779,
&end
#
# 50 PHE HE 103 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 773, 777,
&end
#
# 103 RU H6 50 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=1659, 775, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 LEU QD1 103 RU H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 625, 626, 627,
&end
#
# 41 LEU QD2 103 RU H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 629, 630, 631,
&end
#
# 41 LEU QB 103 RU H6 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 620, 621,
&end
#
# 85 HIS HD2 103 RU H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1329,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 50 PHE HD 103 RU H5 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 771, 779,
&end
#
# 50 PHE HE 103 RU H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 773, 777,
&end
#
# 103 RU H5 50 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat=1661, 775, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 41 LEU QD1 103 RU H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 625, 626, 627,
&end
#
# 41 LEU QD2 103 RU H1' 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 629, 630, 631,
&end
#
# 41 LEU HB2 103 RU H1' 6.50
&rst
ixpk= 0, nxpk= 0, iat= 620,1656, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 41 LEU HB3 103 RU H1' 6.50
&rst
ixpk= 0, nxpk= 0, iat= 621,1656, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 41 LEU HG 103 RU H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 623,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 RU H4' 43 LEU QQD 4.00
&rst
ixpk= 0, nxpk= 0, iat=1653, 658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 RU Q5' 43 LEU QQD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 658, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1650,1651,
&end
#
# 103 RU H4' 50 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1653, 775, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 RU Q5' 50 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1650,1651,
&end
#
# 85 HIS HD2 50 PHE HD 4.50
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 771, 779,
&end
#
# 85 HIS HD2 50 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1329, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 773, 777,
&end
#
# 16 ARG+ QB 48 GLN QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 226, 227,
igr2= 743, 744,
&end
#
# 16 ARG+ QD 79 TYR HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 232, 233,
igr2=1222,1231,
&end
#
# 83 SER QB 50 PHE HD 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1295,1296,
igr2= 771, 779,
&end
#
# 83 SER QB 50 PHE HE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1295,1296,
igr2= 773, 777,
&end
#
# 83 SER QB 50 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1295,1296,
&end
#
# 83 SER QB 14 HIS QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1295,1296,
igr2= 190, 191,
&end
#
# 83 SER QB 85 HIS QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1295,1296,
igr2=1320,1321,
&end
#
# 12 VAL QG1 50 PHE HD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 157, 158, 159,
igr2= 771, 779,
&end
#
# 12 VAL QG1 50 PHE HE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 157, 158, 159,
igr2= 773, 777,
&end
#
# 12 VAL QG1 50 PHE HZ 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 157, 158, 159,
&end
#
# 88 LEU QD1 85 HIS HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1379,1380,1381,
&end
#
# 12 VAL QG1 85 HIS HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 157, 158, 159,
&end
#
# 12 VAL QG2 85 HIS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 161, 162, 163,
&end
#
# 84 ASN QB 85 HIS HD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1329, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1306,1307,
&end
#
# 12 VAL HN 12 VAL HB 4.13
&rst
ixpk= 0, nxpk= 0, iat= 151, 155, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 30 LEU HN 30 LEU HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat= 445, 450, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 20 ILE HN 20 ILE HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 49 ALA HN 49 ALA QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 757, 758, 759,
&end
#
# 58 ALA HN 58 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 896, 897, 898,
&end
#
# 59 ALA HN 59 ALA QB 3.41
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 906, 907, 908,
&end
#
# 64 ASN HN 64 ASN HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 973, 977, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 64 ASN HB3 65 TYR HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 978, 987, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 43 LEU HA 44 LYS+ HN 3.45
&rst
ixpk= 0, nxpk= 0, iat= 654, 671, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 39 ASN HN 39 ASN HB2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 583, 587, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 39 ASN HN 39 ASN HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 583, 588, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 37 VAL HN 37 VAL HB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 553, 557, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 76 GLN HN 76 GLN HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1164,1168, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 77 PRO HA 78 ILE HN 3.45
&rst
ixpk= 0, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 77 PRO HB2 78 ILE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat=1188,1195, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 77 PRO HB3 78 ILE HN 4.29
&rst
ixpk= 0, nxpk= 0, iat=1189,1195, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 71 PRO HA 72 VAL HN 3.47
&rst
ixpk= 0, nxpk= 0, iat=1094,1098, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 71 PRO HB3 72 VAL HN 4.57
&rst
ixpk= 0, nxpk= 0, iat=1092,1098, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 9 PRO HB3 10 SER HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 110, 116, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 19 PRO HB3 20 ILE HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 295, 301, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 19 PRO HB2 20 ILE HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 294, 301, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 88 LEU HN 88 LEU HB3 3.94
&rst
ixpk= 0, nxpk= 0, iat=1370,1375, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 22 VAL HA 22 VAL QG1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 338, 339, 340,
&end
#
# 22 VAL HA 22 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 342, 343, 344,
&end
#
# 22 VAL QG1 23 THR HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 338, 339, 340,
&end
#
# 23 THR HN 23 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 354, 355, 356,
&end
#
# 23 THR QG2 24 GLU- HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 362, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 354, 355, 356,
&end
#
# 23 THR HA 23 THR QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 354, 355, 356,
&end
#
# 80 ILE HA 81 GLN HN 3.47
&rst
ixpk= 0, nxpk= 0, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 12 VAL HN 12 VAL QG1 4.30
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 157, 158, 159,
&end
#
# 12 VAL QG2 13 ILE HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 161, 162, 163,
&end
#
# 12 VAL QG1 13 ILE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 157, 158, 159,
&end
#
# 28 ILE HN 28 ILE HG12 4.76
&rst
ixpk= 0, nxpk= 0, iat= 415, 425, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 28 ILE HN 28 ILE HG13 4.32
&rst
ixpk= 0, nxpk= 0, iat= 415, 426, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 30 LEU HN 30 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 458, 459, 460,
&end
#
# 36 LYS+ HN 36 LYS+ QD 4.52
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 541, 542,
&end
#
# 37 VAL HN 37 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 563, 564, 565,
&end
#
# 37 VAL HN 37 VAL QG1 4.42
&rst
ixpk= 0, nxpk= 0, iat= 553, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 559, 560, 561,
&end
#
# 38 THR HN 38 THR QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 575, 576, 577,
&end
#
# 40 LEU HN 40 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 606, 607, 608,
&end
#
# 40 LEU HN 40 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 610, 611, 612,
&end
#
# 43 LEU QD1 44 LYS+ HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 661, 662, 663,
&end
#
# 53 MET HN 53 MET QE 4.79
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 828, 829, 830,
&end
#
# 42 MET HN 42 MET QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 646, 647, 648,
&end
#
# 40 LEU HA 41 LEU HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 41 LEU HN 41 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 629, 630, 631,
&end
#
# 42 MET HN 42 MET HG3 4.49
&rst
ixpk= 0, nxpk= 0, iat= 635, 643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 48 GLN HN 48 GLN HG3 4.67
&rst
ixpk= 0, nxpk= 0, iat= 736, 744, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 48 GLN HN 48 GLN HG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 736, 743, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 15 ILE QD1 50 PHE HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 216, 217, 218,
&end
#
# 62 MET HN 62 MET QE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 951, 952, 953,
&end
#
# 63 VAL HN 63 VAL QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 963, 964, 965,
&end
#
# 63 VAL HN 63 VAL QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 967, 968, 969,
&end
#
# 67 THR HN 67 THR QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1035,1036,1037,
&end
#
# 69 VAL HN 69 VAL QG1 4.03
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1060,1061,1062,
&end
#
# 69 VAL HN 69 VAL QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1064,1065,1066,
&end
#
# 72 VAL HN 72 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1104,1105,1106,
&end
#
# 72 VAL HN 72 VAL QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat=1098, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1108,1109,1110,
&end
#
# 73 LEU HN 73 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1127,1128,1129,
&end
#
# 72 VAL QG1 73 LEU HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1104,1105,1106,
&end
#
# 76 GLN HN 76 GLN QG 3.97
&rst
ixpk= 0, nxpk= 0, iat=1164, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1171,1172,
&end
#
# 78 ILE HN 78 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1208,1209,1210,
&end
#
# 78 ILE HN 78 ILE QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1201,1202,1203,
&end
#
# 78 ILE HN 78 ILE HG12 5.17
&rst
ixpk= 0, nxpk= 0, iat=1195,1205, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 80 ILE HN 80 ILE HB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 80 ILE HN 80 ILE QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1248,1249,1250,
&end
#
# 80 ILE HN 80 ILE QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1241,1242,1243,
&end
#
# 20 ILE HN 20 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 314, 315, 316,
&end
#
# 20 ILE HN 20 ILE HG13 4.03
&rst
ixpk= 0, nxpk= 0, iat= 301, 312, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 18 LEU HN 18 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 277, 278, 279,
&end
#
# 11 ARG+ HN 11 ARG+ QD 4.84
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 137, 138,
&end
#
# 13 ILE HN 13 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 180, 181, 182,
&end
#
# 13 ILE HN 13 ILE QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 173, 174, 175,
&end
#
# 13 ILE HN 13 ILE HG12 4.89
&rst
ixpk= 0, nxpk= 0, iat= 167, 177, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 15 ILE HB 16 ARG+ HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= 207, 222, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 15 ILE QG2 16 ARG+ HN 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 209, 210, 211,
&end
#
# 88 LEU HN 88 LEU QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1383,1384,1385,
&end
#
# 88 LEU QD1 89 LYS+ HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1379,1380,1381,
&end
#
# 81 GLN HN 81 GLN HG3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1254,1262, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 LEU HA 19 PRO HD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 270, 288, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 70 THR HA 71 PRO HD2 3.60
&rst
ixpk= 0, nxpk= 0, iat=1072,1085, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 93 SER HA 94 PRO HD2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1450,1460, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 80 ILE HB 81 GLN HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1239,1254, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 81 GLN HB3 82 PHE HN 3.91
&rst
ixpk= 0, nxpk= 0, iat=1259,1271, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 83 SER HN 83 SER QB 4.08
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1295,1296,
&end
#
# 82 PHE HB3 83 SER HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1276,1291, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 82 PHE HB2 83 SER HN 5.47
&rst
ixpk= 0, nxpk= 0, iat=1275,1291, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 46 LYS+ HB3 46 LYS+ QE 4.32
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 713, 714,
&end
#
# 21 ASP- HN 22 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 338, 339, 340,
&end
#
# 72 VAL QG2 76 GLN HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1108,1109,1110,
&end
#
# 71 PRO HA 72 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1108,1109,1110,
&end
#
# 70 THR HB 72 VAL QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1108,1109,1110,
&end
#
# 72 VAL QG2 77 PRO HD3 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1108,1109,1110,
&end
#
# 19 PRO HD3 22 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 338, 339, 340,
&end
#
# 22 VAL QG1 26 GLU- HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 338, 339, 340,
&end
#
# 72 VAL QG2 78 ILE HG13 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1108,1109,1110,
&end
#
# 22 VAL QG1 42 MET QE 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 338, 339, 340,
igr2= 646, 647, 648,
&end
#
# 22 VAL QG1 23 THR QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 338, 339, 340,
igr2= 354, 355, 356,
&end
#
# 70 THR QG2 72 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1076,1077,1078,
igr2=1108,1109,1110,
&end
#
# 72 VAL QG2 78 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1108,1109,1110,
igr2=1208,1209,1210,
&end
#
# 38 THR HA 38 THR QG2 3.17
&rst
ixpk= 0, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 575, 576, 577,
&end
#
# 19 PRO HD3 22 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 342, 343, 344,
&end
#
# 19 PRO HD2 22 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 342, 343, 344,
&end
#
# 22 VAL QG2 26 GLU- HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 342, 343, 344,
&end
#
# 22 VAL QG2 26 GLU- QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 342, 343, 344,
igr2= 391, 392,
&end
#
# 18 LEU QD2 22 VAL QG2 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 281, 282, 283,
igr2= 342, 343, 344,
&end
#
# 18 LEU QD1 22 VAL QG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 277, 278, 279,
igr2= 342, 343, 344,
&end
#
# 54 ASN HND1 55 THR QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 854, 855, 856,
&end
#
# 22 VAL HA 23 THR QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 354, 355, 356,
&end
#
# 54 ASN HB3 55 THR QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 854, 855, 856,
&end
#
# 54 ASN HB2 55 THR QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 854, 855, 856,
&end
#
# 23 THR QG2 26 GLU- HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 354, 355, 356,
&end
#
# 23 THR QG2 26 GLU- QG 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 354, 355, 356,
igr2= 391, 392,
&end
#
# 55 THR QG2 56 GLU- QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 854, 855, 856,
igr2= 869, 870,
&end
#
# 23 THR QG2 26 GLU- HB2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 354, 355, 356,
&end
#
# 11 ARG+ QG 55 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 134, 135,
igr2= 854, 855, 856,
&end
#
# 36 LYS+ HB3 55 THR QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 854, 855, 856,
&end
#
# 55 THR QG2 58 ALA QB 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
igr1= 854, 855, 856,
igr2= 896, 897, 898,
&end
#
# 36 LYS+ HB2 55 THR QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 854, 855, 856,
&end
#
# 22 VAL QG2 23 THR QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 342, 343, 344,
igr2= 354, 355, 356,
&end
#
# 35 GLY HA2 36 LYS+ HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 526, 531, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 35 GLY HA2 53 MET QE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 828, 829, 830,
&end
#
# 35 GLY HA2 58 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 896, 897, 898,
&end
#
# 7 GLY QA 8 VAL QQG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 81, 82,
&end
#
# 46 LYS+ HA 46 LYS+ QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= 702, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 713, 714,
&end
#
# 91 ASP- HA 91 ASP- QB 3.01
&rst
ixpk= 0, nxpk= 0, iat=1427, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=1429,1430,
&end
#
# 6 ALA QB 8 VAL HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 73, 74, 75,
&end
#
# 6 ALA QB 7 GLY QA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 73, 74, 75,
igr2= 81, 82,
&end
#
# 6 ALA QB 9 PRO HA 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 73, 74, 75,
&end
#
# 96 GLN QG 97 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1494,1495,
igr2=1508,1509,1510,
&end
#
# 6 ALA QB 81 GLN HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 73, 74, 75,
&end
#
# 6 ALA QB 81 GLN HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 73, 74, 75,
&end
#
# 97 ALA QB 98 ARG+ QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1508,1509,1510,
igr2=1518,1519,
&end
#
# 6 ALA QB 9 PRO HG3 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 73, 74, 75,
&end
#
# 6 ALA QB 9 PRO HG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 73, 74, 75,
&end
#
# 6 ALA QB 9 PRO HB2 2.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr1= 73, 74, 75,
&end
#
# 8 VAL HA 9 PRO HD3 3.23
&rst
ixpk= 0, nxpk= 0, iat= 88, 104, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 8 VAL HA 9 PRO HD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 88, 103, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 8 VAL HA 8 VAL QQG 3.46
&rst
ixpk= 0, nxpk= 0, iat= 88, 89, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 12 VAL QG2 51 ILE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 161, 162, 163,
&end
#
# 32 LEU QD2 37 VAL HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 484, 485, 486,
&end
#
# 12 VAL QG2 82 PHE HD 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1= 161, 162, 163,
igr2=1279,1287,
&end
#
# 12 VAL QG2 52 GLU- HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 161, 162, 163,
&end
#
# 12 VAL HA 12 VAL QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 161, 162, 163,
&end
#
# 32 LEU HA 32 LEU QD2 3.19
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 484, 485, 486,
&end
#
# 32 LEU QD2 36 LYS+ HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 484, 485, 486,
&end
#
# 12 VAL QG2 83 SER QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 161, 162, 163,
igr2=1295,1296,
&end
#
# 12 VAL QG2 85 HIS QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 161, 162, 163,
igr2=1320,1321,
&end
#
# 12 VAL QG2 14 HIS HB3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 191, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 161, 162, 163,
&end
#
# 12 VAL QG2 50 PHE QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 161, 162, 163,
igr2= 767, 768,
&end
#
# 32 LEU HB2 32 LEU QD2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 484, 485, 486,
&end
#
# 12 VAL QG2 88 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 161, 162, 163,
igr2=1379,1380,1381,
&end
#
# 12 VAL QG1 88 LEU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 157, 158, 159,
&end
#
# 12 VAL QG1 52 GLU- HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 804, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 157, 158, 159,
&end
#
# 12 VAL HA 12 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 157, 158, 159,
&end
#
# 12 VAL QG1 86 LYS+ HA 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 157, 158, 159,
&end
#
# 12 VAL QG1 87 GLU- HA 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1357, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 157, 158, 159,
&end
#
# 12 VAL QG1 83 SER QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 157, 158, 159,
igr2=1295,1296,
&end
#
# 12 VAL QG1 85 HIS QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 157, 158, 159,
igr2=1320,1321,
&end
#
# 12 VAL QG1 52 GLU- QB 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 157, 158, 159,
igr2= 806, 807,
&end
#
# 55 THR HB 57 GLU- HB2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 852, 881, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 57 GLU- HB2 57 GLU- HG3 2.99
&rst
ixpk= 0, nxpk= 0, iat= 881, 885, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 57 GLU- HB3 61 THR QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 882, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 932, 933, 934,
&end
#
# 57 GLU- HA 60 ASN HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 879, 912, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 57 GLU- HA 60 ASN QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 916, 917,
&end
#
# 57 GLU- HA 57 GLU- HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 879, 884, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 15 ILE HA 16 ARG+ HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 205, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 VAL HA 78 ILE HG13 4.66
&rst
ixpk= 0, nxpk= 0, iat=1100,1206, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 VAL HA 72 VAL QG2 3.67
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1108,1109,1110,
&end
#
# 20 ILE HA 20 ILE QG2 3.60
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 307, 308, 309,
&end
#
# 25 GLY HA2 28 ILE QG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 421, 422, 423,
&end
#
# 20 ILE QG2 20 ILE HG13 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 307, 308, 309,
&end
#
# 20 ILE QG2 20 ILE HG12 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 311, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 307, 308, 309,
&end
#
# 28 ILE QG2 28 ILE QD1 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 421, 422, 423,
igr2= 428, 429, 430,
&end
#
# 13 ILE QD1 51 ILE HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 180, 181, 182,
&end
#
# 13 ILE QD1 82 PHE HD 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 180, 181, 182,
igr2=1279,1287,
&end
#
# 13 ILE QD1 82 PHE HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 180, 181, 182,
&end
#
# 28 ILE QD1 29 SER QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 428, 429, 430,
igr2= 438, 439,
&end
#
# 25 GLY HA2 28 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 428, 429, 430,
&end
#
# 24 GLU- QG 28 ILE QD1 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 369, 370,
igr2= 428, 429, 430,
&end
#
# 13 ILE QD1 62 MET HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 180, 181, 182,
&end
#
# 13 ILE QD1 62 MET HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 180, 181, 182,
&end
#
# 13 ILE QD1 63 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 180, 181, 182,
igr2= 967, 968, 969,
&end
#
# 43 LEU HA 43 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 661, 662, 663,
&end
#
# 43 LEU QD1 103 RU H4' 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 661, 662, 663,
&end
#
# 24 GLU- HA 27 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 409, 410, 411,
&end
#
# 27 VAL HA 27 VAL QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 409, 410, 411,
&end
#
# 43 LEU QD1 46 LYS+ QE 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 661, 662, 663,
igr2= 713, 714,
&end
#
# 26 GLU- HB3 27 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 409, 410, 411,
&end
#
# 26 GLU- HB2 27 VAL QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 409, 410, 411,
&end
#
# 43 LEU HB3 43 LEU QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 661, 662, 663,
&end
#
# 41 LEU HG 43 LEU QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 661, 662, 663,
&end
#
# 43 LEU HB2 43 LEU QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 661, 662, 663,
&end
#
# 22 VAL QG2 27 VAL QG2 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 342, 343, 344,
igr2= 409, 410, 411,
&end
#
# 27 VAL QG1 28 ILE HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 415, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 405, 406, 407,
&end
#
# 30 LEU HA 30 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 458, 459, 460,
&end
#
# 29 SER QB 30 LEU QD2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 438, 439,
igr2= 458, 459, 460,
&end
#
# 24 GLU- HA 27 VAL QG1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 405, 406, 407,
&end
#
# 30 LEU HB3 30 LEU QD2 3.25
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 458, 459, 460,
&end
#
# 27 VAL QG1 42 MET QE 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 405, 406, 407,
igr2= 646, 647, 648,
&end
#
# 30 LEU HB2 30 LEU QD2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 458, 459, 460,
&end
#
# 25 GLY HA3 28 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 421, 422, 423,
&end
#
# 25 GLY HA3 28 ILE QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 428, 429, 430,
&end
#
# 29 SER HA 30 LEU HA 4.53
&rst
ixpk= 0, nxpk= 0, iat= 436, 447, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 29 SER HA 32 LEU QD1 3.47
&rst
ixpk= 0, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 480, 481, 482,
&end
#
# 29 SER QB 32 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 438, 439,
igr2= 480, 481, 482,
&end
#
# 30 LEU HA 30 LEU QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 454, 455, 456,
&end
#
# 27 VAL HA 30 LEU QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 454, 455, 456,
&end
#
# 30 LEU HB3 30 LEU QD1 3.30
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 454, 455, 456,
&end
#
# 30 LEU HB2 30 LEU QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 454, 455, 456,
&end
#
# 11 ARG+ HA 59 ALA QB 5.61
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 906, 907, 908,
&end
#
# 32 LEU HB3 33 PRO HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 476, 500, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 LEU HB3 33 PRO HD3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 476, 492, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 32 LEU HB3 32 LEU QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 480, 481, 482,
&end
#
# 32 LEU HB2 33 PRO HD3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 475, 492, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 60 ASN HA 63 VAL HB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 914, 961, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 33 PRO HA 34 PHE HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= 500, 506, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 34 PHE HA 61 THR QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 932, 933, 934,
&end
#
# 34 PHE HB2 61 THR QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 932, 933, 934,
&end
#
# 79 TYR HB3 80 ILE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=1219,1235, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 16 ARG+ HB2 79 TYR HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 226,1219, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 35 GLY HA3 36 LYS+ HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 527, 531, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 35 GLY HA3 53 MET QE 4.82
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 828, 829, 830,
&end
#
# 35 GLY HA3 58 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 896, 897, 898,
&end
#
# 36 LYS+ HA 36 LYS+ HG3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 533, 539, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 36 LYS+ HG3 37 VAL QG2 5.04
&rst
ixpk= 0, nxpk= 0, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 563, 564, 565,
&end
#
# 49 ALA QB 50 PHE HN 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 757, 758, 759,
&end
#
# 43 LEU HN 43 LEU HG 4.04
&rst
ixpk= 0, nxpk= 0, iat= 652, 659, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 42 MET HA 49 ALA QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 757, 758, 759,
&end
#
# 42 MET HG2 49 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 757, 758, 759,
&end
#
# 42 MET QB 49 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 639, 640,
igr2= 757, 758, 759,
&end
#
# 15 ILE HB 49 ALA QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 757, 758, 759,
&end
#
# 15 ILE QG2 49 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 209, 210, 211,
igr2= 757, 758, 759,
&end
#
# 17 LYS+ QD 100 RC H3' 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 256, 257,
&end
#
# 17 LYS+ QD 79 TYR HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1218, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 256, 257,
&end
#
# 17 LYS+ HB3 17 LYS+ QD 3.98
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 256, 257,
&end
#
# 17 LYS+ HB2 17 LYS+ QD 3.68
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 256, 257,
&end
#
# 16 ARG+ HB2 17 LYS+ QD 2.66
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2= 256, 257,
&end
#
# 17 LYS+ QG 17 LYS+ QD 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 253, 254,
igr2= 256, 257,
&end
#
# 36 LYS+ HB3 54 ASN HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat= 536, 839, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 12 VAL HB 52 GLU- QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 806, 807,
&end
#
# 36 LYS+ HB2 54 ASN HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 535, 838, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 36 LYS+ HA 36 LYS+ QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 541, 542,
&end
#
# 36 LYS+ HA 36 LYS+ HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 533, 538, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 37 VAL QG1 38 THR HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 559, 560, 561,
&end
#
# 37 VAL QG1 39 ASN HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 559, 560, 561,
&end
#
# 37 VAL HA 37 VAL QG1 3.63
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 559, 560, 561,
&end
#
# 37 VAL QG1 40 LEU HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 602, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 559, 560, 561,
&end
#
# 37 VAL QG2 38 THR HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 563, 564, 565,
&end
#
# 31 GLY HN 37 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 563, 564, 565,
&end
#
# 31 GLY HA2 37 VAL QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 563, 564, 565,
&end
#
# 32 LEU HA 37 VAL QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 563, 564, 565,
&end
#
# 36 LYS+ HA 37 VAL QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 563, 564, 565,
&end
#
# 31 GLY HA3 37 VAL QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 563, 564, 565,
&end
#
# 37 VAL QG2 53 MET QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 563, 564, 565,
igr2= 828, 829, 830,
&end
#
# 36 LYS+ QD 37 VAL QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 541, 542,
igr2= 563, 564, 565,
&end
#
# 32 LEU HB2 37 VAL QG2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 563, 564, 565,
&end
#
# 32 LEU QD2 37 VAL QG2 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 484, 485, 486,
igr2= 563, 564, 565,
&end
#
# 19 PRO HD2 22 VAL HB 4.57
&rst
ixpk= 0, nxpk= 0, iat= 288, 336, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 37 VAL HB 53 MET QB 3.50
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 821, 822,
&end
#
# 37 VAL HB 53 MET QE 3.03
&rst
ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 828, 829, 830,
&end
#
# 38 THR QG2 39 ASN HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 583, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 575, 576, 577,
&end
#
# 39 ASN HB3 40 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 588, 597, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 39 ASN HB3 52 GLU- QG 4.63
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 809, 810,
&end
#
# 39 ASN HA 40 LEU HN 3.24
&rst
ixpk= 0, nxpk= 0, iat= 585, 597, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 37 VAL QG1 39 ASN HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 585, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 559, 560, 561,
&end
#
# 24 GLU- QG 40 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 369, 370,
igr2= 606, 607, 608,
&end
#
# 24 GLU- HB3 40 LEU QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 606, 607, 608,
&end
#
# 40 LEU HA 40 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 610, 611, 612,
&end
#
# 24 GLU- HA 40 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 610, 611, 612,
&end
#
# 40 LEU QD2 42 MET HG3 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 610, 611, 612,
&end
#
# 24 GLU- QG 40 LEU QD2 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 369, 370,
igr2= 610, 611, 612,
&end
#
# 24 GLU- HB3 40 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 610, 611, 612,
&end
#
# 24 GLU- HB2 40 LEU QD2 3.43
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 610, 611, 612,
&end
#
# 40 LEU HB3 40 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 602, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 610, 611, 612,
&end
#
# 40 LEU HB2 40 LEU QD2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 610, 611, 612,
&end
#
# 14 HIS HA 51 ILE HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 188, 783, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 40 LEU HA 40 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 606, 607, 608,
&end
#
# 41 LEU HA 41 LEU HG 3.97
&rst
ixpk= 0, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 41 LEU QD2 42 MET HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 629, 630, 631,
&end
#
# 41 LEU QD2 50 PHE HD 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1= 629, 630, 631,
igr2= 771, 779,
&end
#
# 41 LEU HA 41 LEU QD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 629, 630, 631,
&end
#
# 41 LEU QD2 50 PHE QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 629, 630, 631,
igr2= 767, 768,
&end
#
# 41 LEU QD2 88 LEU QD2 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 629, 630, 631,
igr2=1383,1384,1385,
&end
#
# 43 LEU QD2 50 PHE HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 665, 666, 667,
&end
#
# 43 LEU QD2 48 GLN HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 665, 666, 667,
&end
#
# 43 LEU HA 43 LEU QD2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 665, 666, 667,
&end
#
# 43 LEU QD2 46 LYS+ QE 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1= 665, 666, 667,
igr2= 713, 714,
&end
#
# 43 LEU QD2 48 GLN HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 665, 666, 667,
&end
#
# 41 LEU HB2 88 LEU QD2 4.75
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1383,1384,1385,
&end
#
# 41 LEU HB3 50 PHE QB 4.29
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 767, 768,
&end
#
# 53 MET QE 54 ASN HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 828, 829, 830,
&end
#
# 31 GLY HN 53 MET QE 4.98
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 828, 829, 830,
&end
#
# 34 PHE HN 53 MET QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 828, 829, 830,
&end
#
# 35 GLY HN 53 MET QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 828, 829, 830,
&end
#
# 36 LYS+ HN 53 MET QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= 531, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 828, 829, 830,
&end
#
# 53 MET QE 54 ASN HND1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 843, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 828, 829, 830,
&end
#
# 31 GLY HA2 53 MET QE 4.31
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 828, 829, 830,
&end
#
# 37 VAL HA 53 MET QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 828, 829, 830,
&end
#
# 36 LYS+ HA 53 MET QE 5.45
&rst
ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 828, 829, 830,
&end
#
# 53 MET QE 58 ALA HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 828, 829, 830,
&end
#
# 53 MET QE 59 ALA HA 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 828, 829, 830,
&end
#
# 34 PHE HB2 53 MET QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 828, 829, 830,
&end
#
# 34 PHE HB3 53 MET QE 3.84
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 828, 829, 830,
&end
#
# 53 MET QE 62 MET HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 828, 829, 830,
&end
#
# 53 MET QE 58 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 828, 829, 830,
igr2= 896, 897, 898,
&end
#
# 53 MET QE 62 MET HB2 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 828, 829, 830,
&end
#
# 62 MET QE 66 TYR HD 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 951, 952, 953,
igr2=1016,1025,
&end
#
# 31 GLY HA2 62 MET QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 951, 952, 953,
&end
#
# 31 GLY HA3 62 MET QE 3.98
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 951, 952, 953,
&end
#
# 62 MET HG3 62 MET QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 951, 952, 953,
&end
#
# 62 MET HG2 62 MET QE 3.09
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 951, 952, 953,
&end
#
# 58 ALA QB 62 MET QE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 896, 897, 898,
igr2= 951, 952, 953,
&end
#
# 62 MET HB2 62 MET QE 4.05
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 951, 952, 953,
&end
#
# 13 ILE QD1 62 MET QE 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 180, 181, 182,
igr2= 951, 952, 953,
&end
#
# 62 MET QE 80 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 951, 952, 953,
igr2=1248,1249,1250,
&end
#
# 62 MET QE 63 VAL QG1 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.77, r4= 8.27,
igr1= 951, 952, 953,
igr2= 963, 964, 965,
&end
#
# 24 GLU- HN 42 MET QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 646, 647, 648,
&end
#
# 42 MET HA 42 MET QE 3.91
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 646, 647, 648,
&end
#
# 24 GLU- HA 42 MET QE 3.73
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 646, 647, 648,
&end
#
# 27 VAL HA 42 MET QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 646, 647, 648,
&end
#
# 42 MET HG3 42 MET QE 3.78
&rst
ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 646, 647, 648,
&end
#
# 42 MET HG2 42 MET QE 3.53
&rst
ixpk= 0, nxpk= 0, iat= 642, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 646, 647, 648,
&end
#
# 27 VAL HB 42 MET QE 3.18
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 646, 647, 648,
&end
#
# 40 LEU HB2 42 MET QE 4.05
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 646, 647, 648,
&end
#
# 42 MET QE 49 ALA QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 646, 647, 648,
igr2= 757, 758, 759,
&end
#
# 22 VAL QG2 42 MET QE 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 342, 343, 344,
igr2= 646, 647, 648,
&end
#
# 27 VAL QG2 42 MET QE 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 409, 410, 411,
igr2= 646, 647, 648,
&end
#
# 40 LEU HG 42 MET HG3 4.70
&rst
ixpk= 0, nxpk= 0, iat= 604, 643, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 40 LEU QD1 42 MET HG3 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 643, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 606, 607, 608,
&end
#
# 81 GLN HA 81 GLN HG2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1256,1261, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 40 LEU QD1 42 MET HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 606, 607, 608,
&end
#
# 29 SER HN 32 LEU QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 480, 481, 482,
&end
#
# 32 LEU HA 32 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 480, 481, 482,
&end
#
# 32 LEU QD1 33 PRO HD3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 480, 481, 482,
&end
#
# 32 LEU HB2 32 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 480, 481, 482,
&end
#
# 43 LEU HA 44 LYS+ QB 4.52
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 675, 676,
&end
#
# 43 LEU HA 44 LYS+ HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= 654, 673, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 70 THR HA 71 PRO HD3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1072,1086, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 70 THR HA 70 THR QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1076,1077,1078,
&end
#
# 46 LYS+ HB2 48 GLN HG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 704, 743, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 42 MET HA 49 ALA HA 3.95
&rst
ixpk= 0, nxpk= 0, iat= 637, 755, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 41 LEU HG 49 ALA HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= 623, 755, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 43 LEU QD2 49 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 665, 666, 667,
&end
#
# 36 LYS+ HB3 54 ASN HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 536, 838, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 13 ILE HN 51 ILE QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 789, 790, 791,
&end
#
# 51 ILE QG2 52 GLU- HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 789, 790, 791,
&end
#
# 14 HIS HA 51 ILE QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 789, 790, 791,
&end
#
# 51 ILE HA 51 ILE QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 789, 790, 791,
&end
#
# 51 ILE QG2 53 MET QB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1= 789, 790, 791,
igr2= 821, 822,
&end
#
# 13 ILE HB 51 ILE QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 789, 790, 791,
&end
#
# 49 ALA QB 51 ILE QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 757, 758, 759,
igr2= 789, 790, 791,
&end
#
# 13 ILE QG2 51 ILE QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 173, 174, 175,
igr2= 789, 790, 791,
&end
#
# 15 ILE QD1 51 ILE QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 216, 217, 218,
igr2= 789, 790, 791,
&end
#
# 14 HIS HA 15 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 216, 217, 218,
&end
#
# 15 ILE HA 15 ILE QD1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 216, 217, 218,
&end
#
# 27 VAL HB 51 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 796, 797, 798,
&end
#
# 51 ILE QD1 62 MET QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr1= 796, 797, 798,
igr2= 951, 952, 953,
&end
#
# 15 ILE HB 15 ILE QD1 3.33
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 216, 217, 218,
&end
#
# 15 ILE QD1 49 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 216, 217, 218,
igr2= 757, 758, 759,
&end
#
# 27 VAL QG1 51 ILE QD1 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 405, 406, 407,
igr2= 796, 797, 798,
&end
#
# 74 ARG+ HB2 74 ARG+ HD3 4.25
&rst
ixpk= 0, nxpk= 0, iat=1137,1144, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 74 ARG+ HB2 74 ARG+ HD2 4.17
&rst
ixpk= 0, nxpk= 0, iat=1137,1143, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 41 LEU HB2 50 PHE QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 767, 768,
&end
#
# 55 THR HA 56 GLU- QG 4.47
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 869, 870,
&end
#
# 55 THR HA 55 THR QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 854, 855, 856,
&end
#
# 55 THR HB 56 GLU- HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 852, 862, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 56 GLU- QG 57 GLU- HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 869, 870,
&end
#
# 56 GLU- HA 56 GLU- QG 3.66
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 869, 870,
&end
#
# 57 GLU- HA 57 GLU- HG3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 879, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 54 ASN HN 58 ALA QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 896, 897, 898,
&end
#
# 58 ALA QB 59 ALA HN 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 896, 897, 898,
&end
#
# 58 ALA QB 59 ALA HA 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 896, 897, 898,
&end
#
# 34 PHE HB3 58 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 896, 897, 898,
&end
#
# 53 MET QB 58 ALA QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 821, 822,
igr2= 896, 897, 898,
&end
#
# 57 GLU- HB2 58 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 896, 897, 898,
&end
#
# 58 ALA QB 61 THR QG2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 896, 897, 898,
igr2= 932, 933, 934,
&end
#
# 59 ALA HA 62 MET HB2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 904, 944, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 13 ILE QD1 59 ALA HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 180, 181, 182,
&end
#
# 59 ALA QB 60 ASN HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 906, 907, 908,
&end
#
# 53 MET HN 59 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 906, 907, 908,
&end
#
# 11 ARG+ HN 59 ALA QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 906, 907, 908,
&end
#
# 57 GLU- HA 59 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 906, 907, 908,
&end
#
# 59 ALA QB 60 ASN QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 906, 907, 908,
igr2= 916, 917,
&end
#
# 53 MET QB 59 ALA QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 821, 822,
igr2= 906, 907, 908,
&end
#
# 11 ARG+ HB3 59 ALA QB 4.67
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 906, 907, 908,
&end
#
# 53 MET QE 59 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 828, 829, 830,
igr2= 906, 907, 908,
&end
#
# 59 ALA QB 62 MET HB2 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 906, 907, 908,
&end
#
# 13 ILE QD1 59 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 180, 181, 182,
igr2= 906, 907, 908,
&end
#
# 59 ALA QB 60 ASN HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 906, 907, 908,
&end
#
# 58 ALA HA 61 THR HB 4.09
&rst
ixpk= 0, nxpk= 0, iat= 894, 930, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 58 ALA QB 61 THR HB 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 896, 897, 898,
&end
#
# 61 THR HA 64 ASN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 928, 973, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 61 THR QG2 65 TYR HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 932, 933, 934,
&end
#
# 61 THR QG2 62 MET HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 932, 933, 934,
&end
#
# 58 ALA HA 61 THR QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 932, 933, 934,
&end
#
# 61 THR HA 61 THR QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 932, 933, 934,
&end
#
# 61 THR QG2 65 TYR HB3 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 932, 933, 934,
&end
#
# 34 PHE HB3 61 THR QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 932, 933, 934,
&end
#
# 61 THR QG2 62 MET HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 932, 933, 934,
&end
#
# 59 ALA QB 61 THR QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
igr1= 906, 907, 908,
igr2= 932, 933, 934,
&end
#
# 63 VAL HA 66 TYR HB3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 959,1013, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 63 VAL HB 82 PHE HE 4.72
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1281,1285,
&end
#
# 60 ASN HA 63 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 963, 964, 965,
&end
#
# 63 VAL HA 63 VAL QG1 3.54
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 963, 964, 965,
&end
#
# 62 MET HB3 63 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 963, 964, 965,
&end
#
# 59 ALA QB 63 VAL QG1 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 906, 907, 908,
igr2= 963, 964, 965,
&end
#
# 13 ILE HG12 63 VAL QG1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 963, 964, 965,
&end
#
# 13 ILE QD1 63 VAL QG1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 180, 181, 182,
igr2= 963, 964, 965,
&end
#
# 63 VAL QG1 80 ILE QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 963, 964, 965,
igr2=1241,1242,1243,
&end
#
# 63 VAL QG2 81 GLN HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 967, 968, 969,
&end
#
# 63 VAL QG2 67 THR HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1033, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 967, 968, 969,
&end
#
# 63 VAL HA 63 VAL QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 967, 968, 969,
&end
#
# 13 ILE QG2 63 VAL QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 173, 174, 175,
igr2= 967, 968, 969,
&end
#
# 63 VAL QG2 67 THR QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1= 967, 968, 969,
igr2=1035,1036,1037,
&end
#
# 67 THR HA 67 THR QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1031, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1035,1036,1037,
&end
#
# 68 SER HB2 69 VAL HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1047,1054, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 68 SER HB2 69 VAL QG1 4.55
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1060,1061,1062,
&end
#
# 66 TYR HD 69 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1016,1025,
igr2=1064,1065,1066,
&end
#
# 69 VAL HA 69 VAL QG2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1064,1065,1066,
&end
#
# 69 VAL QG1 70 THR HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1060,1061,1062,
&end
#
# 66 TYR HD 69 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1=1016,1025,
igr2=1060,1061,1062,
&end
#
# 66 TYR HA 69 VAL QG1 4.73
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1060,1061,1062,
&end
#
# 69 VAL HA 69 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1060,1061,1062,
&end
#
# 68 SER HB3 69 VAL QG1 4.07
&rst
ixpk= 0, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1060,1061,1062,
&end
#
# 70 THR QG2 78 ILE HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1076,1077,1078,
&end
#
# 70 THR QG2 77 PRO HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1191, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1076,1077,1078,
&end
#
# 70 THR QG2 72 VAL HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1076,1077,1078,
&end
#
# 70 THR QG2 71 PRO HD3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1076,1077,1078,
&end
#
# 70 THR QG2 78 ILE HG13 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1076,1077,1078,
&end
#
# 70 THR QG2 78 ILE HG12 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1076,1077,1078,
&end
#
# 71 PRO HB2 78 ILE QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1208,1209,1210,
&end
#
# 72 VAL QG1 76 GLN HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1164, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1104,1105,1106,
&end
#
# 72 VAL QG1 76 GLN HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1166, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1104,1105,1106,
&end
#
# 72 VAL HA 72 VAL QG1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1104,1105,1106,
&end
#
# 72 VAL QG1 75 GLY HA2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1104,1105,1106,
&end
#
# 70 THR HB 72 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1104,1105,1106,
&end
#
# 19 PRO HD3 73 LEU QD1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1123,1124,1125,
&end
#
# 72 VAL QG1 75 GLY HA3 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1160, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1104,1105,1106,
&end
#
# 72 VAL QG1 78 ILE HG13 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1104,1105,1106,
&end
#
# 70 THR QG2 72 VAL QG1 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1076,1077,1078,
igr2=1104,1105,1106,
&end
#
# 18 LEU QB 73 LEU QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 272, 273,
igr2=1123,1124,1125,
&end
#
# 73 LEU QD1 78 ILE QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1123,1124,1125,
igr2=1201,1202,1203,
&end
#
# 18 LEU QD1 73 LEU QD1 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 277, 278, 279,
igr2=1123,1124,1125,
&end
#
# 18 LEU HA 73 LEU QD2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1127,1128,1129,
&end
#
# 19 PRO HD3 73 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1127,1128,1129,
&end
#
# 19 PRO HD2 73 LEU QD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1127,1128,1129,
&end
#
# 19 PRO HB3 73 LEU QD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1127,1128,1129,
&end
#
# 73 LEU QD2 74 ARG+ QG 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1127,1128,1129,
igr2=1140,1141,
&end
#
# 19 PRO HB2 73 LEU QD2 4.43
&rst
ixpk= 0, nxpk= 0, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1127,1128,1129,
&end
#
# 73 LEU HB2 73 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1127,1128,1129,
&end
#
# 74 ARG+ HA 74 ARG+ QG 3.89
&rst
ixpk= 0, nxpk= 0, iat=1135, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1140,1141,
&end
#
# 74 ARG+ HA 74 ARG+ HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1135,1143, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 74 ARG+ HB3 74 ARG+ HD2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1138,1143, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 76 GLN QG 77 PRO HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1171,1172,
&end
#
# 76 GLN HB3 77 PRO HD3 4.53
&rst
ixpk= 0, nxpk= 0, iat=1169,1183, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 76 GLN HB3 77 PRO HD2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1169,1182, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 76 GLN HB2 77 PRO HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1168,1182, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 76 GLN HA 76 GLN QG 4.02
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=1171,1172,
&end
#
# 73 LEU HN 78 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1201,1202,1203,
&end
#
# 78 ILE QG2 79 TYR HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1201,1202,1203,
&end
#
# 72 VAL HA 78 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1201,1202,1203,
&end
#
# 78 ILE HA 78 ILE QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1201,1202,1203,
&end
#
# 17 LYS+ HB2 78 ILE QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1201,1202,1203,
&end
#
# 73 LEU HB2 78 ILE QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1201,1202,1203,
&end
#
# 15 ILE QG2 78 ILE QG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 209, 210, 211,
igr2=1201,1202,1203,
&end
#
# 78 ILE QG2 78 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1201,1202,1203,
igr2=1208,1209,1210,
&end
#
# 78 ILE QD1 79 TYR HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1208,1209,1210,
&end
#
# 77 PRO HA 78 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1191, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1208,1209,1210,
&end
#
# 72 VAL HA 78 ILE QD1 4.59
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1208,1209,1210,
&end
#
# 78 ILE HA 78 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1208,1209,1210,
&end
#
# 78 ILE HB 78 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1208,1209,1210,
&end
#
# 72 VAL HB 78 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1208,1209,1210,
&end
#
# 73 LEU HB2 78 ILE QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1208,1209,1210,
&end
#
# 17 LYS+ QG 100 RC H3' 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 253, 254,
&end
#
# 71 PRO HD3 78 ILE HG12 4.65
&rst
ixpk= 0, nxpk= 0, iat=1086,1205, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 36 LYS+ HG3 54 ASN HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat= 539, 838, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 71 PRO HD3 78 ILE HG13 4.71
&rst
ixpk= 0, nxpk= 0, iat=1086,1206, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 71 PRO HB2 78 ILE HG13 4.23
&rst
ixpk= 0, nxpk= 0, iat=1091,1206, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 76 GLN QG 77 PRO HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1171,1172,
&end
#
# 70 THR QG2 77 PRO HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1076,1077,1078,
&end
#
# 78 ILE HB 79 TYR HN 3.76
&rst
ixpk= 0, nxpk= 0, iat=1199,1214, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 15 ILE QG2 78 ILE HB 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 209, 210, 211,
&end
#
# 13 ILE HA 83 SER HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 169,1291, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 13 ILE HA 14 HIS HA 4.57
&rst
ixpk= 0, nxpk= 0, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 13 ILE HA 82 PHE HA 3.29
&rst
ixpk= 0, nxpk= 0, iat= 169,1273, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 17 LYS+ HB2 78 ILE HA 4.10
&rst
ixpk= 0, nxpk= 0, iat= 250,1197, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 51 ILE HA 52 GLU- HN 3.48
&rst
ixpk= 0, nxpk= 0, iat= 785, 802, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 40 LEU HA 51 ILE HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= 599, 785, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 40 LEU HB2 51 ILE HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= 601, 785, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 13 ILE QG2 80 ILE HB 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 173, 174, 175,
&end
#
# 80 ILE HA 80 ILE QD1 4.74
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1248,1249,1250,
&end
#
# 66 TYR HB3 80 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1248,1249,1250,
&end
#
# 63 VAL HA 80 ILE QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1248,1249,1250,
&end
#
# 80 ILE HB 80 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1248,1249,1250,
&end
#
# 13 ILE QG2 80 ILE QD1 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 173, 174, 175,
igr2=1248,1249,1250,
&end
#
# 15 ILE QG2 80 ILE QD1 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 209, 210, 211,
igr2=1248,1249,1250,
&end
#
# 63 VAL QG1 80 ILE QD1 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 963, 964, 965,
igr2=1248,1249,1250,
&end
#
# 80 ILE QG2 81 GLN HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1241,1242,1243,
&end
#
# 80 ILE HA 80 ILE QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1241,1242,1243,
&end
#
# 80 ILE QG2 81 GLN HA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1241,1242,1243,
&end
#
# 63 VAL HA 80 ILE QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1241,1242,1243,
&end
#
# 66 TYR HB2 80 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1241,1242,1243,
&end
#
# 13 ILE QG2 80 ILE QG2 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 173, 174, 175,
igr2=1241,1242,1243,
&end
#
# 92 SER HA 92 SER QB 2.77
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1441,1442,
&end
#
# 20 ILE HA 20 ILE HG13 4.12
&rst
ixpk= 0, nxpk= 0, iat= 303, 312, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 93 SER QB 94 PRO HD2 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1452,1453,
&end
#
# 93 SER HA 94 PRO HD3 3.07
&rst
ixpk= 0, nxpk= 0, iat=1450,1461, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 22 VAL HA 23 THR HN 3.43
&rst
ixpk= 0, nxpk= 0, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 88 LEU HA 88 LEU QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat=1372, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1379,1380,1381,
&end
#
# 21 ASP- HB3 22 VAL HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 61 THR HA 64 ASN HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 928, 977, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 20 ILE HA 20 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 314, 315, 316,
&end
#
# 20 ILE HB 20 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 314, 315, 316,
&end
#
# 20 ILE HG13 21 ASP- HB3 4.62
&rst
ixpk= 0, nxpk= 0, iat= 312, 325, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 19 PRO HB3 20 ILE HG13 4.67
&rst
ixpk= 0, nxpk= 0, iat= 295, 312, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 9 PRO HB3 82 PHE HD 4.73
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1279,1287,
&end
#
# 11 ARG+ HB2 11 ARG+ QD 3.90
&rst
ixpk= 0, nxpk= 0, iat= 131, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 137, 138,
&end
#
# 19 PRO HB3 20 ILE QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 314, 315, 316,
&end
#
# 28 ILE HB 29 SER HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 419, 434, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 28 ILE HB 28 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 428, 429, 430,
&end
#
# 18 LEU HA 18 LEU QD2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 281, 282, 283,
&end
#
# 18 LEU QD2 19 PRO HD3 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 281, 282, 283,
&end
#
# 18 LEU QD2 19 PRO HD2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 281, 282, 283,
&end
#
# 18 LEU QD2 22 VAL HB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 281, 282, 283,
&end
#
# 18 LEU QD2 49 ALA QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 281, 282, 283,
igr2= 757, 758, 759,
&end
#
# 18 LEU QB 18 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 272, 273,
igr2= 281, 282, 283,
&end
#
# 18 LEU QD2 22 VAL QG1 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 281, 282, 283,
igr2= 338, 339, 340,
&end
#
# 18 LEU QD1 49 ALA HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 277, 278, 279,
&end
#
# 18 LEU QD1 48 GLN HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 277, 278, 279,
&end
#
# 18 LEU QD1 48 GLN HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 277, 278, 279,
&end
#
# 16 ARG+ HA 18 LEU QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 224, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 277, 278, 279,
&end
#
# 18 LEU QD1 47 ASN HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 277, 278, 279,
&end
#
# 18 LEU HA 18 LEU QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat= 270, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 277, 278, 279,
&end
#
# 18 LEU QD1 22 VAL HB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 277, 278, 279,
&end
#
# 18 LEU QD1 49 ALA QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 277, 278, 279,
igr2= 757, 758, 759,
&end
#
# 18 LEU QB 18 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 272, 273,
igr2= 277, 278, 279,
&end
#
# 18 LEU QD1 22 VAL QG1 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 277, 278, 279,
igr2= 338, 339, 340,
&end
#
# 18 LEU HA 19 PRO HD3 3.85
&rst
ixpk= 0, nxpk= 0, iat= 270, 289, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 18 LEU HA 73 LEU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 270,1118, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 18 LEU QB 49 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 272, 273,
igr2= 757, 758, 759,
&end
#
# 18 LEU QB 22 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 272, 273,
igr2= 338, 339, 340,
&end
#
# 17 LYS+ QD 100 RC H2' 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1580, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 256, 257,
&end
#
# 17 LYS+ HA 17 LYS+ QD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 256, 257,
&end
#
# 17 LYS+ HA 17 LYS+ QG 3.87
&rst
ixpk= 0, nxpk= 0, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 253, 254,
&end
#
# 11 ARG+ QG 56 GLU- QG 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 134, 135,
igr2= 869, 870,
&end
#
# 11 ARG+ QD 56 GLU- HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 137, 138,
&end
#
# 11 ARG+ HA 11 ARG+ QD 4.05
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 137, 138,
&end
#
# 74 ARG+ HD3 75 GLY HA2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1144,1159, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 10 SER QB 11 ARG+ QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 120, 121,
igr2= 137, 138,
&end
#
# 11 ARG+ QD 56 GLU- HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 137, 138,
&end
#
# 11 ARG+ QD 56 GLU- QG 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 137, 138,
igr2= 869, 870,
&end
#
# 11 ARG+ HB3 11 ARG+ QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 137, 138,
&end
#
# 16 ARG+ HA 48 GLN HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 224, 743, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 ILE QG2 14 HIS HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 173, 174, 175,
&end
#
# 13 ILE QG2 51 ILE HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 173, 174, 175,
&end
#
# 13 ILE QG2 81 GLN HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 173, 174, 175,
&end
#
# 13 ILE QG2 13 ILE HG13 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 173, 174, 175,
&end
#
# 13 ILE QG2 63 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 173, 174, 175,
igr2= 963, 964, 965,
&end
#
# 15 ILE QG2 79 TYR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 209, 210, 211,
&end
#
# 15 ILE QG2 16 ARG+ HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 209, 210, 211,
&end
#
# 15 ILE HA 15 ILE QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 209, 210, 211,
&end
#
# 15 ILE QG2 16 ARG+ QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 209, 210, 211,
igr2= 229, 230,
&end
#
# 38 THR HN 53 MET HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= 569, 819, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 38 THR QG2 53 MET HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 575, 576, 577,
&end
#
# 26 GLU- HA 26 GLU- QG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 391, 392,
&end
#
# 26 GLU- HA 27 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 409, 410, 411,
&end
#
# 56 GLU- HA 59 ALA HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 864, 902, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 55 THR HA 56 GLU- HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 ARG+ HA 56 GLU- HA 4.05
&rst
ixpk= 0, nxpk= 0, iat= 129, 864, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 11 ARG+ QG 56 GLU- HA 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 134, 135,
&end
#
# 24 GLU- HA 24 GLU- QG 3.68
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 369, 370,
&end
#
# 24 GLU- HA 40 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 606, 607, 608,
&end
#
# 28 ILE HA 28 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 421, 422, 423,
&end
#
# 28 ILE HA 28 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 428, 429, 430,
&end
#
# 27 VAL QG1 28 ILE HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 405, 406, 407,
&end
#
# 27 VAL HA 27 VAL QG1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 405, 406, 407,
&end
#
# 66 TYR HA 66 TYR HE 4.51
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1018,1023,
&end
#
# 73 LEU HB3 78 ILE HG12 3.52
&rst
ixpk= 0, nxpk= 0, iat=1119,1205, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 41 LEU HB2 90 THR QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1417,1418,1419,
&end
#
# 73 LEU HB3 73 LEU QD2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1127,1128,1129,
&end
#
# 73 LEU HB2 78 ILE HG12 3.59
&rst
ixpk= 0, nxpk= 0, iat=1118,1205, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 88 LEU HB3 90 THR QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1417,1418,1419,
&end
#
# 88 LEU HB2 90 THR QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1417,1418,1419,
&end
#
# 88 LEU HB3 88 LEU QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat=1375, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1379,1380,1381,
&end
#
# 13 ILE HB 51 ILE HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= 171, 783, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 24 GLU- QG 42 MET QE 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 369, 370,
igr2= 646, 647, 648,
&end
#
# 18 LEU QB 47 ASN HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 727, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 272, 273,
&end
#
# 65 TYR HB2 66 TYR HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 991,1008, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 16 ARG+ HB2 79 TYR HB2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 226,1218, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 41 LEU HN 88 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1383,1384,1385,
&end
#
# 41 LEU HN 88 LEU QD1 4.93
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1379,1380,1381,
&end
#
# 40 LEU HA 88 LEU QD2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1383,1384,1385,
&end
#
# 40 LEU HA 88 LEU QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1379,1380,1381,
&end
#
# 51 ILE HA 88 LEU QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1383,1384,1385,
&end
#
# 39 ASN HB3 88 LEU QD2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1383,1384,1385,
&end
#
# 50 PHE QB 88 LEU QD2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 767, 768,
igr2=1383,1384,1385,
&end
#
# 50 PHE QB 88 LEU QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 767, 768,
igr2=1379,1380,1381,
&end
#
# 39 ASN HB2 88 LEU QD2 4.39
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1383,1384,1385,
&end
#
# 52 GLU- QG 88 LEU QD2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 809, 810,
igr2=1383,1384,1385,
&end
#
# 41 LEU HB3 88 LEU QD2 4.31
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1383,1384,1385,
&end
#
# 41 LEU HB3 88 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1379,1380,1381,
&end
#
# 52 GLU- QB 88 LEU QD2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 806, 807,
igr2=1383,1384,1385,
&end
#
# 52 GLU- QB 88 LEU QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 806, 807,
igr2=1379,1380,1381,
&end
#
# 88 LEU HB2 88 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1383,1384,1385,
&end
#
# 41 LEU HB2 88 LEU QD1 3.38
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1379,1380,1381,
&end
#
# 88 LEU QD2 90 THR QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1383,1384,1385,
igr2=1417,1418,1419,
&end
#
# 12 VAL QG2 88 LEU QD2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 161, 162, 163,
igr2=1383,1384,1385,
&end
#
# 12 VAL QG1 88 LEU QD2 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 157, 158, 159,
igr2=1383,1384,1385,
&end
#
# 12 VAL QG1 88 LEU QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 157, 158, 159,
igr2=1379,1380,1381,
&end
#
# 87 GLU- QG 88 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1362,1363,
&end
#
# 87 GLU- HA 87 GLU- QG 4.04
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1362,1363,
&end
#
# 23 THR HA 24 GLU- HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 350, 364, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 12 VAL HB 83 SER QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1295,1296,
&end
#
# 53 MET QB 53 MET QE 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 821, 822,
igr2= 828, 829, 830,
&end
#
# 81 GLN HA 81 GLN HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1256,1262, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 62 MET HA 65 TYR HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 942, 987, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 62 MET HA 65 TYR HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 942, 991, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 62 MET HA 62 MET HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 942, 948, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 10 SER QB 11 ARG+ HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 127, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 120, 121,
&end
#
# 12 VAL HA 52 GLU- HA 3.97
&rst
ixpk= 0, nxpk= 0, iat= 153, 804, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 52 GLU- HA 53 MET QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 804, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 821, 822,
&end
#
# 18 LEU QB 19 PRO HD2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 272, 273,
&end
#
# 19 PRO HD2 22 VAL QG1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 338, 339, 340,
&end
#
# 19 PRO HD3 73 LEU HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= 289,1118, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 18 LEU QB 19 PRO HD3 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 272, 273,
&end
#
# 18 LEU QD1 19 PRO HD3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 277, 278, 279,
&end
#
# 71 PRO HD2 78 ILE HG13 4.43
&rst
ixpk= 0, nxpk= 0, iat=1085,1206, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 70 THR QG2 71 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1076,1077,1078,
&end
#
# 8 VAL QQG 9 PRO HD2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 89, 103, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 8 VAL HA 9 PRO HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat= 88, 107, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 32 LEU HN 33 PRO HD2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 471, 491, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 32 LEU HN 33 PRO HD3 4.31
&rst
ixpk= 0, nxpk= 0, iat= 471, 492, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 76 GLN QG 77 PRO HD3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1171,1172,
&end
#
# 45 GLY HA3 46 LYS+ QE 4.42
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 713, 714,
&end
#
# 45 GLY HA2 46 LYS+ QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 695, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 713, 714,
&end
#
# 46 LYS+ HB2 46 LYS+ QE 3.36
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 713, 714,
&end
#
# 41 LEU QD1 42 MET HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 635, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 625, 626, 627,
&end
#
# 41 LEU HA 41 LEU QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 625, 626, 627,
&end
#
# 41 LEU QD1 103 RU H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 625, 626, 627,
&end
#
# 41 LEU QD1 50 PHE QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 625, 626, 627,
igr2= 767, 768,
&end
#
# 41 LEU HB3 41 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 625, 626, 627,
&end
#
# 41 LEU HB2 41 LEU QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 625, 626, 627,
&end
#
# 41 LEU QD1 90 THR QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 625, 626, 627,
igr2=1417,1418,1419,
&end
#
# 41 LEU QD1 88 LEU QD2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 625, 626, 627,
igr2=1383,1384,1385,
&end
#
# 40 LEU QD1 41 LEU HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 606, 607, 608,
&end
#
# 41 LEU HN 49 ALA QB 5.32
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 757, 758, 759,
&end
#
# 80 ILE QG2 80 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1241,1242,1243,
igr2=1248,1249,1250,
&end
#
# 32 LEU HN 32 LEU QD2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 484, 485, 486,
&end
#
# 16 ARG+ HN 16 ARG+ QG 4.96
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 229, 230,
&end
#
# 74 ARG+ HN 74 ARG+ HD3 5.45
&rst
ixpk= 0, nxpk= 0, iat=1133,1144, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 41 LEU HN 41 LEU HG 4.75
&rst
ixpk= 0, nxpk= 0, iat= 616, 623, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 25 GLY HN 26 GLU- HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 377, 384, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 GLU- HN 25 GLY HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 362, 377, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 26 GLU- HN 27 VAL HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 384, 399, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 27 VAL HN 28 ILE HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 399, 415, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 28 ILE HN 29 SER HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 415, 434, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 29 SER HN 30 LEU HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 434, 445, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 30 LEU HN 31 GLY HN 3.81
&rst
ixpk= 0, nxpk= 0, iat= 445, 464, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 31 GLY HN 32 LEU HN 3.85
&rst
ixpk= 0, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 23 THR HN 24 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 348, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 VAL HN 23 THR HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= 332, 348, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 21 ASP- HN 22 VAL HN 3.56
&rst
ixpk= 0, nxpk= 0, iat= 320, 332, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 20 ILE HN 21 ASP- HN 3.03
&rst
ixpk= 0, nxpk= 0, iat= 301, 320, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 17 LYS+ HN 18 LEU HN 3.80
&rst
ixpk= 0, nxpk= 0, iat= 246, 268, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 13 ILE HN 14 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 167, 186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL HN 13 ILE HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 151, 167, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 11 ARG+ HN 12 VAL HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 127, 151, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 10 SER HN 11 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 116, 127, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 PHE HN 35 GLY HN 3.39
&rst
ixpk= 0, nxpk= 0, iat= 504, 524, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 36 LYS+ HN 37 VAL HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 531, 553, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 37 VAL HN 38 THR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 553, 569, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 38 THR HN 39 ASN HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 569, 583, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 39 ASN HN 40 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 583, 597, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 41 LEU HN 42 MET HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 616, 635, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 46 LYS+ HN 47 ASN HN 4.01
&rst
ixpk= 0, nxpk= 0, iat= 700, 722, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 47 ASN HN 48 GLN HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 722, 736, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 48 GLN HN 49 ALA HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 736, 753, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 49 ALA HN 50 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 753, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ILE HN 52 GLU- HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 783, 802, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 52 GLU- HN 53 MET HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 802, 817, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 53 MET HN 54 ASN HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 817, 834, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 54 ASN HN 55 THR HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 834, 848, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 55 THR HN 56 GLU- HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 848, 862, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 56 GLU- HN 57 GLU- HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 862, 877, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 57 GLU- HN 58 ALA HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 877, 892, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 58 ALA HN 59 ALA HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 892, 902, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 59 ALA HN 60 ASN HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= 902, 912, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 60 ASN HN 61 THR HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 912, 926, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 61 THR HN 62 MET HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= 926, 940, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 62 MET HN 63 VAL HN 4.21
&rst
ixpk= 0, nxpk= 0, iat= 940, 957, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 63 VAL HN 64 ASN HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= 957, 973, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 65 TYR HN 66 TYR HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 987,1008, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 66 TYR HN 67 THR HN 3.97
&rst
ixpk= 0, nxpk= 0, iat=1008,1029, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 67 THR HN 68 SER HN 3.74
&rst
ixpk= 0, nxpk= 0, iat=1029,1043, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 68 SER HN 69 VAL HN 3.58
&rst
ixpk= 0, nxpk= 0, iat=1043,1054, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 69 VAL HN 70 THR HN 4.54
&rst
ixpk= 0, nxpk= 0, iat=1054,1070, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 72 VAL HN 73 LEU HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1098,1114, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 73 LEU HN 74 ARG+ HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1114,1133, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 74 ARG+ HN 75 GLY HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=1133,1157, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 75 GLY HN 76 GLN HN 3.75
&rst
ixpk= 0, nxpk= 0, iat=1157,1164, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 78 ILE HN 79 TYR HN 5.34
&rst
ixpk= 0, nxpk= 0, iat=1195,1214, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 79 TYR HN 80 ILE HN 5.27
&rst
ixpk= 0, nxpk= 0, iat=1214,1235, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 7 GLY HN 8 VAL HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 79, 86, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 50 PHE HN 50 PHE QB 4.15
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 767, 768,
&end
#
# 53 MET HN 53 MET QB 3.78
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 821, 822,
&end
#
# 54 ASN HN 54 ASN HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 834, 839, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 54 ASN HN 54 ASN HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat= 834, 838, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 56 GLU- HN 56 GLU- HB3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 862, 867, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 56 GLU- HN 56 GLU- HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 862, 866, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 57 GLU- HN 57 GLU- HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat= 877, 882, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 57 GLU- HN 57 GLU- HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat= 877, 881, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 60 ASN HN 60 ASN QB 3.37
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 916, 917,
&end
#
# 61 THR HN 61 THR HB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 926, 930, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 64 ASN HN 64 ASN HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat= 973, 978, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 63 VAL HN 63 VAL HB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 957, 961, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 65 TYR HN 65 TYR HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 987, 991, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 TYR HN 65 TYR HB3 3.49
&rst
ixpk= 0, nxpk= 0, iat= 987, 992, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 66 TYR HN 66 TYR HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=1008,1013, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 66 TYR HN 66 TYR HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1008,1012, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 44 LYS+ HN 44 LYS+ QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 675, 676,
&end
#
# 43 LEU HN 43 LEU HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 652, 657, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 40 LEU HN 40 LEU HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 597, 602, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 40 LEU HN 40 LEU HB2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 597, 601, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 36 LYS+ HN 36 LYS+ HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat= 531, 535, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 34 PHE HN 34 PHE HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 504, 508, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 34 PHE HN 34 PHE HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= 504, 509, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 32 LEU HN 32 LEU HB3 4.04
&rst
ixpk= 0, nxpk= 0, iat= 471, 476, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 32 LEU HN 32 LEU HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 471, 475, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 30 LEU HN 30 LEU HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 SER HN 29 SER QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 438, 439,
&end
#
# 28 ILE HN 28 ILE HB 3.57
&rst
ixpk= 0, nxpk= 0, iat= 415, 419, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 27 VAL HN 27 VAL HB 3.52
&rst
ixpk= 0, nxpk= 0, iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 26 GLU- HN 26 GLU- HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 GLU- HN 26 GLU- HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 384, 388, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 24 GLU- HN 24 GLU- HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= 362, 367, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 22 VAL HN 22 VAL HB 3.32
&rst
ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 21 ASP- HN 21 ASP- HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= 320, 324, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 21 ASP- HN 21 ASP- HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 320, 325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 18 LEU HN 18 LEU QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 272, 273,
&end
#
# 13 ILE HN 13 ILE HB 3.96
&rst
ixpk= 0, nxpk= 0, iat= 167, 171, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 12 VAL HA 13 ILE HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 153, 167, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 8 VAL HN 8 VAL HB 3.43
&rst
ixpk= 0, nxpk= 0, iat= 86, 90, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 67 THR HN 67 THR HB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1029,1033, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 68 SER HN 68 SER HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1043,1048, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 68 SER HN 68 SER HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1043,1047, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 69 VAL HN 69 VAL HB 3.51
&rst
ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 72 VAL HN 72 VAL HB 3.65
&rst
ixpk= 0, nxpk= 0, iat=1098,1102, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 73 LEU HN 73 LEU HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1114,1119, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 73 LEU HN 73 LEU HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1114,1118, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 74 ARG+ HN 74 ARG+ HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 76 GLN HN 76 GLN HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1164,1169, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 92 SER HN 92 SER HA 2.80
&rst
ixpk= 0, nxpk= 0, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 91 ASP- HN 91 ASP- QB 3.68
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1429,1430,
&end
#
# 91 ASP- HN 92 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1425,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 GLN HN 96 GLN QG 4.86
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1494,1495,
&end
#
# 96 GLN HN 96 GLN HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1487,1491, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 96 GLN HN 97 ALA HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1487,1504, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 97 ALA HN 98 ARG+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1504,1514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ALA HN 97 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1508,1509,1510,
&end
#
# 98 ARG+ HN 98 ARG+ QB 3.77
&rst
ixpk= 0, nxpk= 0, iat=1514, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1518,1519,
&end
#
# 24 GLU- HN 24 GLU- QG 4.41
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 369, 370,
&end
#
# 52 GLU- HN 52 GLU- QG 4.64
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 809, 810,
&end
#
# 52 GLU- HN 52 GLU- QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 806, 807,
&end
#
# 88 LEU HN 88 LEU HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat=1370,1374, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 22 VAL HN 22 VAL QG1 3.61
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 338, 339, 340,
&end
#
# 22 VAL HN 22 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 342, 343, 344,
&end
#
# 16 ARG+ HN 17 LYS+ HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 222, 246, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 80 ILE HN 81 GLN HN 5.41
&rst
ixpk= 0, nxpk= 0, iat=1235,1254, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 8 VAL HN 8 VAL QQG 3.53
&rst
ixpk= 0, nxpk= 0, iat= 86, 89, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 28 ILE HN 28 ILE QD1 4.05
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 428, 429, 430,
&end
#
# 27 VAL HN 27 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 405, 406, 407,
&end
#
# 30 LEU HN 30 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= 445, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 454, 455, 456,
&end
#
# 36 LYS+ HN 36 LYS+ HG3 4.86
&rst
ixpk= 0, nxpk= 0, iat= 531, 539, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 36 LYS+ HN 36 LYS+ HB3 3.46
&rst
ixpk= 0, nxpk= 0, iat= 531, 536, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 40 LEU HN 40 LEU HG 4.26
&rst
ixpk= 0, nxpk= 0, iat= 597, 604, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 43 LEU HN 43 LEU QD2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 665, 666, 667,
&end
#
# 40 LEU HN 41 LEU HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 597, 616, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 42 MET HN 43 LEU HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 635, 652, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 45 GLY HN 46 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 693, 700, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HA 42 MET HN 3.42
&rst
ixpk= 0, nxpk= 0, iat= 618, 635, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 42 MET HA 43 LEU HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= 637, 652, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 42 MET HN 42 MET QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 639, 640,
&end
#
# 42 MET HN 42 MET HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= 635, 642, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 32 LEU HN 32 LEU QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 480, 481, 482,
&end
#
# 46 LYS+ HN 46 LYS+ HB2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 700, 704, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 50 PHE HN 51 ILE HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 763, 783, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 15 ILE QD1 51 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 216, 217, 218,
&end
#
# 51 ILE HN 51 ILE QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 789, 790, 791,
&end
#
# 55 THR HN 55 THR QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 854, 855, 856,
&end
#
# 56 GLU- HN 56 GLU- QG 3.87
&rst
ixpk= 0, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 869, 870,
&end
#
# 57 GLU- HN 57 GLU- HG2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 877, 884, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 57 GLU- HN 57 GLU- HG3 4.56
&rst
ixpk= 0, nxpk= 0, iat= 877, 885, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 62 MET HN 62 MET HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 62 MET HN 62 MET HG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 940, 947, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 62 MET HN 62 MET HB3 3.89
&rst
ixpk= 0, nxpk= 0, iat= 940, 945, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 62 MET HN 62 MET HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= 940, 948, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 70 THR HN 70 THR QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1076,1077,1078,
&end
#
# 74 ARG+ HN 74 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1133,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ARG+ HN 74 ARG+ QG 4.59
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1140,1141,
&end
#
# 78 ILE HN 78 ILE HG13 4.35
&rst
ixpk= 0, nxpk= 0, iat=1195,1206, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 81 GLN HN 82 PHE HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=1254,1271, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 82 PHE HN 83 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1271,1291, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 ILE HN 20 ILE QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 307, 308, 309,
&end
#
# 20 ILE HN 20 ILE HG12 3.99
&rst
ixpk= 0, nxpk= 0, iat= 301, 311, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 18 LEU HN 18 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 281, 282, 283,
&end
#
# 17 LYS+ HN 17 LYS+ QG 4.20
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 253, 254,
&end
#
# 17 LYS+ HN 17 LYS+ QD 4.72
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 256, 257,
&end
#
# 17 LYS+ HN 17 LYS+ QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 259, 260,
&end
#
# 11 ARG+ HN 11 ARG+ HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 127, 131, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 11 ARG+ HN 11 ARG+ QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 134, 135,
&end
#
# 13 ILE HN 13 ILE HG13 4.99
&rst
ixpk= 0, nxpk= 0, iat= 167, 178, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 15 ILE HN 15 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 209, 210, 211,
&end
#
# 15 ILE HN 15 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 216, 217, 218,
&end
#
# 88 LEU HN 88 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1379,1380,1381,
&end
#
# 87 GLU- HA 88 LEU HN 3.55
&rst
ixpk= 0, nxpk= 0, iat=1357,1370, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 87 GLU- HN 88 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1355,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 GLU- HN 87 GLU- QG 4.56
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1362,1363,
&end
#
# 82 PHE HN 82 PHE HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat=1271,1276, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 82 PHE HN 82 PHE HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1271,1275, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 47 ASN HA 47 ASN HND1 5.21
&rst
ixpk= 0, nxpk= 0, iat= 724, 731, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 47 ASN HA 47 ASN HND2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 724, 732, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 54 ASN HB3 54 ASN HND1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 839, 843, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 54 ASN HA 54 ASN HND1 5.42
&rst
ixpk= 0, nxpk= 0, iat= 836, 843, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 54 ASN HA 54 ASN HND2 5.07
&rst
ixpk= 0, nxpk= 0, iat= 836, 844, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 54 ASN HB3 54 ASN HND2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 839, 844, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 39 ASN HA 39 ASN HND2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 585, 593, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 39 ASN HA 39 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HA 60 ASN HND2 5.30
&rst
ixpk= 0, nxpk= 0, iat= 914, 922, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 GLN HB2 48 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 740, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HA 48 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HA 48 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 738, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS+ HB3 48 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HB3 48 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 741, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HB2 48 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 740, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HA 76 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1166,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HB3 76 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1169,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HB3 76 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1169,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HB2 76 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1168,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HB2 76 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1168,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 LYS+ HN 46 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 713, 714,
&end
#
# 81 GLN HN 81 GLN HG2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1254,1261, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 81 GLN HG3 82 PHE HN 4.94
&rst
ixpk= 0, nxpk= 0, iat=1262,1271, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 81 GLN HG2 82 PHE HN 4.75
&rst
ixpk= 0, nxpk= 0, iat=1261,1271, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 81 GLN HB2 82 PHE HN 4.04
&rst
ixpk= 0, nxpk= 0, iat=1258,1271, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 81 GLN HA 82 PHE HN 3.39
&rst
ixpk= 0, nxpk= 0, iat=1256,1271, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 82 PHE HN 82 PHE HD 4.15
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1279,1287,
&end
#
# 82 PHE HD 83 SER HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1279,1287,
&end
#
# 36 LYS+ HA 54 ASN HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 533, 834, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 85 HIS QB 86 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1320,1321,
&end
#
# 86 LYS+ HN 87 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1333,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ILE HN 51 ILE HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 167, 783, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 14 HIS HN 83 SER HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 186,1291, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 36 LYS+ HN 54 ASN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 531, 834, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 42 MET HN 50 PHE HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 635, 763, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 43 LEU HN 50 PHE HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 652, 763, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 41 LEU HN 50 PHE HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 616, 763, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 57 GLU- HN 60 ASN HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 877, 912, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 57 GLU- HN 59 ALA HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 877, 902, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 14 HIS HN 81 GLN HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 186,1254, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 40 LEU HN 52 GLU- HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 597, 802, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 39 ASN HN 52 GLU- HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 583, 802, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 73 LEU HN 76 GLN HN 3.73
&rst
ixpk= 0, nxpk= 0, iat=1114,1164, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 43 LEU HN 48 GLN HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 652, 736, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 58 ALA HN 60 ASN HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 892, 912, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 55 THR HN 58 ALA HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 848, 892, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 62 MET HN 64 ASN HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 940, 973, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 58 ALA HN 61 THR HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 892, 926, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 65 TYR HN 67 THR HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 987,1029, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 73 LEU HN 75 GLY HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1114,1157, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 63 VAL HN 65 TYR HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 957, 987, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 6 ALA HN 7 GLY HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 69, 79, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 23 THR HN 26 GLU- HN 4.91
&rst
ixpk= 0, nxpk= 0, iat= 348, 384, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 29 SER HN 31 GLY HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 434, 464, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 64 ASN HN 66 TYR HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 973,1008, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 66 TYR HN 68 SER HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1008,1043, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 27 VAL HN 29 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 399, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 ASN HN 54 ASN HND2 5.22
&rst
ixpk= 0, nxpk= 0, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 66 TYR HN 69 VAL HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1008,1054, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 60 ASN HN 60 ASN HND2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 912, 922, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 67 THR HN 69 VAL HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=1029,1054, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 60 ASN HND2 61 THR HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 922, 926, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 26 GLU- HN 28 ILE HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 384, 415, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 18 LEU HN 47 ASN HND2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 268, 732, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 64 ASN HN 64 ASN HND2 4.92
&rst
ixpk= 0, nxpk= 0, iat= 973, 983, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 60 ASN HND2 64 ASN HND2 5.39
&rst
ixpk= 0, nxpk= 0, iat= 922, 983, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 60 ASN HN 82 PHE HZ 5.09
&rst
ixpk= 0, nxpk= 0, iat= 912,1283, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 36 LYS+ HN 54 ASN HND2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 531, 844, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 59 ALA HN 61 THR HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 902, 926, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 55 THR HN 59 ALA HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 848, 902, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 27 VAL HN 30 LEU HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 399, 445, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 46 LYS+ HN 48 GLN HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 700, 736, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 34 PHE HN 34 PHE HD 4.08
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 512, 520,
&end
#
# 34 PHE HD 35 GLY HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 512, 520,
&end
#
# 34 PHE HD 62 MET HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 512, 520,
&end
#
# 54 ASN HND2 55 THR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= 844, 848, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 66 TYR HD 69 VAL HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1016,1025,
&end
#
# 66 TYR HD 68 SER HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1016,1025,
&end
#
# 66 TYR HD 67 THR HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1016,1025,
&end
#
# 66 TYR HN 66 TYR HD 4.19
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1016,1025,
&end
#
# 48 GLN HN 48 GLN HNE1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 736, 748, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 54 ASN HND1 55 THR HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 843, 848, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 36 LYS+ HN 54 ASN HND1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 531, 843, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 30 LEU HN 32 LEU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 445, 471, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 29 SER HN 32 LEU HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 434, 471, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 35 GLY HN 54 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 524, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 PHE HE 65 TYR HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 514, 518,
&end
#
# 50 PHE HN 50 PHE HD 4.98
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 771, 779,
&end
#
# 60 ASN HND1 64 ASN HND1 5.23
&rst
ixpk= 0, nxpk= 0, iat= 921, 982, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 66 TYR HN 66 TYR HE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1018,1023,
&end
#
# 79 TYR HD 80 ILE HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1222,1231,
&end
#
# 79 TYR HN 79 TYR HD 5.28
&rst
ixpk= 0, nxpk= 0, iat=1214, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1222,1231,
&end
#
# 60 ASN HND2 64 ASN HND1 5.14
&rst
ixpk= 0, nxpk= 0, iat= 922, 982, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 64 ASN HN 64 ASN HND1 5.27
&rst
ixpk= 0, nxpk= 0, iat= 973, 982, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 65 TYR HN 65 TYR HD 4.28
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 995,1004,
&end
#
# 65 TYR HD 66 TYR HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 995,1004,
&end
#
# 50 PHE HA 51 ILE HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= 765, 783, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 MET HA 54 ASN HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= 819, 834, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 53 MET HA 55 THR HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 819, 848, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 18 LEU HN 48 GLN HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 268, 738, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 17 LYS+ HN 48 GLN HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= 246, 738, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 66 TYR HA 69 VAL HN 3.95
&rst
ixpk= 0, nxpk= 0, iat=1010,1054, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 66 TYR HA 68 SER HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1010,1043, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 13 ILE HN 52 GLU- HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 167, 804, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 73 LEU HN 76 GLN HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1114,1166, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 43 LEU HN 49 ALA HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= 652, 755, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 16 ARG+ HA 18 LEU HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 224, 268, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 48 GLN HN 49 ALA HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 736, 755, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 79 TYR HA 80 ILE HN 3.36
&rst
ixpk= 0, nxpk= 0, iat=1216,1235, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 12 VAL HA 53 MET HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 153, 817, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 76 GLN HN 77 PRO HA 4.86
&rst
ixpk= 0, nxpk= 0, iat=1164,1191, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 38 THR HN 39 ASN HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 569, 585, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 55 THR HA 56 GLU- HN 3.19
&rst
ixpk= 0, nxpk= 0, iat= 850, 862, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 55 THR HB 57 GLU- HN 3.69
&rst
ixpk= 0, nxpk= 0, iat= 852, 877, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 72 VAL HA 74 ARG+ HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1100,1133, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 72 VAL HA 76 GLN HN 4.32
&rst
ixpk= 0, nxpk= 0, iat=1100,1164, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 14 HIS HN 82 PHE HA 4.67
&rst
ixpk= 0, nxpk= 0, iat= 186,1273, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 72 VAL HA 73 LEU HN 3.18
&rst
ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 72 VAL HA 75 GLY HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1100,1157, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 60 ASN HA 64 ASN HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 914, 973, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 91 ASP- HA 92 SER HN 3.63
&rst
ixpk= 0, nxpk= 0, iat=1427,1437, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 60 ASN HA 64 ASN HND1 5.15
&rst
ixpk= 0, nxpk= 0, iat= 914, 982, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 23 THR HA 25 GLY HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 350, 377, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 32 LEU HA 35 GLY HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 473, 524, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 37 VAL HA 38 THR HN 3.47
&rst
ixpk= 0, nxpk= 0, iat= 555, 569, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 37 VAL HA 39 ASN HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= 555, 583, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 37 VAL HA 54 ASN HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 555, 834, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 32 LEU HA 34 PHE HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 473, 504, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 31 GLY HN 32 LEU HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= 464, 473, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 92 SER HA 93 SER HN 2.68
&rst
ixpk= 0, nxpk= 0, iat=1439,1448, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 36 LYS+ HN 37 VAL HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= 531, 555, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 17 LYS+ HN 100 RC H3' 5.08
&rst
ixpk= 0, nxpk= 0, iat= 246,1578, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 46 LYS+ HN 47 ASN HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 700, 724, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 18 LEU HN 47 ASN HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= 268, 724, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 61 THR HB 62 MET HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 930, 940, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 67 THR HB 68 SER HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=1033,1043, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 66 TYR HN 67 THR HA 4.63
&rst
ixpk= 0, nxpk= 0, iat=1008,1031, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 67 THR HA 69 VAL HN 5.49
&rst
ixpk= 0, nxpk= 0, iat=1031,1054, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 70 THR HN 71 PRO HD3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1070,1086, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 29 SER HN 30 LEU HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= 434, 447, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 58 ALA HA 62 MET HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 894, 940, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 58 ALA HA 61 THR HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 894, 926, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 57 GLU- HA 59 ALA HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 879, 902, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 57 GLU- HA 61 THR HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 879, 926, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 68 SER HN 69 VAL HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=1043,1056, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 29 SER HA 32 LEU HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 436, 471, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 45 GLY HA3 47 ASN HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 696, 722, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 44 LYS+ HA 48 GLN HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 673, 736, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 29 SER HA 31 GLY HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 436, 464, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 28 ILE HN 29 SER QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 438, 439,
&end
#
# 14 HIS HN 83 SER QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 186, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1295,1296,
&end
#
# 59 ALA HA 62 MET HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 904, 940, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 10 SER QB 12 VAL HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 151, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 120, 121,
&end
#
# 59 ALA HA 61 THR HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 904, 926, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 7 GLY QA 8 VAL HN 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 86, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 81, 82,
&end
#
# 59 ALA HA 63 VAL HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 904, 957, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 34 PHE HN 35 GLY HA2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 504, 526, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 56 GLU- HA 58 ALA HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 864, 892, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 56 GLU- HA 60 ASN HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 864, 912, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 24 GLU- HA 27 VAL HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 364, 399, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 GLU- HA 28 ILE HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 364, 415, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 76 GLN HN 77 PRO HD3 4.66
&rst
ixpk= 0, nxpk= 0, iat=1164,1183, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 67 THR HN 68 SER HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat=1029,1048, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 74 ARG+ HA 75 GLY HN 3.65
&rst
ixpk= 0, nxpk= 0, iat=1135,1157, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 68 SER HB3 69 VAL HN 3.79
&rst
ixpk= 0, nxpk= 0, iat=1048,1054, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 33 PRO HD3 34 PHE HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 492, 504, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 31 GLY HN 33 PRO HD3 5.32
&rst
ixpk= 0, nxpk= 0, iat= 464, 492, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 25 GLY HA2 28 ILE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 379, 415, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 25 GLY HA2 29 SER HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 379, 434, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 18 LEU HN 19 PRO HD3 5.22
&rst
ixpk= 0, nxpk= 0, iat= 268, 289, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 28 ILE HA 30 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 417, 445, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 ILE HA 31 GLY HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 417, 464, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 34 PHE HB2 62 MET HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 508, 940, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 27 VAL HA 30 LEU HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 401, 445, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 34 PHE HB2 35 GLY HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 66 TYR HB3 67 THR HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1013,1029, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 18 LEU HN 47 ASN HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 268, 727, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 LYS+ HN 47 ASN HB3 4.90
&rst
ixpk= 0, nxpk= 0, iat= 246, 727, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 47 ASN HB3 48 GLN HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 727, 736, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 63 VAL HA 65 TYR HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 959, 987, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 63 VAL HA 66 TYR HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= 959,1008, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 8 VAL HN 9 PRO HD2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 86, 103, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 11 ARG+ QD 55 THR HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 137, 138,
&end
#
# 19 PRO HD2 22 VAL HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 288, 332, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 18 LEU HN 19 PRO HD2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 268, 288, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 33 PRO HD2 34 PHE HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 85 HIS QB 87 GLU- HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1320,1321,
&end
#
# 18 LEU HN 47 ASN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 268, 726, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 47 ASN HB2 48 GLN HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= 726, 736, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 60 ASN QB 61 THR HN 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 916, 917,
&end
#
# 60 ASN QB 62 MET HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 916, 917,
&end
#
# 59 ALA HN 60 ASN QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 916, 917,
&end
#
# 54 ASN HB3 55 THR HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= 839, 848, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 65 TYR HB3 66 TYR HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 992,1008, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 64 ASN HB3 67 THR HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 978,1029, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 36 LYS+ HN 54 ASN HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 531, 838, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 54 ASN HB2 55 THR HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 838, 848, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 LEU HN 50 PHE QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 767, 768,
&end
#
# 50 PHE QB 51 ILE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 783, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 767, 768,
&end
#
# 64 ASN HB2 65 TYR HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 62 MET HN 64 ASN HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 940, 977, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 34 PHE HB3 35 GLY HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 509, 524, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 63 VAL HN 64 ASN HB2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 957, 977, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 64 ASN HB2 66 TYR HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 977,1008, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 91 ASP- QB 92 SER HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1429,1430,
&end
#
# 21 ASP- HB2 22 VAL HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 324, 332, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 66 TYR HB2 67 THR HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=1012,1029, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 42 MET HG3 43 LEU HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 643, 652, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 17 LYS+ HN 48 GLN HG3 5.23
&rst
ixpk= 0, nxpk= 0, iat= 246, 744, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 79 TYR HB2 80 ILE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 96 GLN QG 97 ALA HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1504, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1494,1495,
&end
#
# 42 MET HG2 43 LEU HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 642, 652, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 62 MET HG3 63 VAL HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 948, 957, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 39 ASN HB2 52 GLU- HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 587, 802, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 39 ASN HB2 40 LEU HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= 587, 597, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 26 GLU- HB3 27 VAL HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 389, 399, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 23 THR HN 26 GLU- HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 348, 389, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 24 GLU- QG 25 GLY HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 369, 370,
&end
#
# 19 PRO HB3 21 ASP- HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 295, 320, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 19 PRO HB3 22 VAL HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 295, 332, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 48 GLN HG2 49 ALA HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= 743, 753, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 12 VAL HB 13 ILE HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= 155, 167, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 26 GLU- HN 26 GLU- QG 3.76
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 391, 392,
&end
#
# 26 GLU- QG 27 VAL HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 391, 392,
&end
#
# 53 MET QB 54 ASN HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 834, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 821, 822,
&end
#
# 17 LYS+ HB3 18 LEU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 251, 268, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 23 THR HN 26 GLU- QG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 391, 392,
&end
#
# 26 GLU- QG 29 SER HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 391, 392,
&end
#
# 53 MET QB 55 THR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 821, 822,
&end
#
# 11 ARG+ HN 56 GLU- QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 869, 870,
&end
#
# 53 MET QB 59 ALA HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 821, 822,
&end
#
# 25 GLY HN 26 GLU- QG 5.36
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 391, 392,
&end
#
# 96 GLN HB3 97 ALA HN 4.47
&rst
ixpk= 0, nxpk= 0, iat=1492,1504, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 61 THR HN 62 MET HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 926, 942, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 57 GLU- HB3 58 ALA HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 882, 892, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 62 MET HB3 63 VAL HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 945, 957, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 17 LYS+ HB2 79 TYR HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 250,1214, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 17 LYS+ HB2 18 LEU HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= 250, 268, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 11 ARG+ HB3 53 MET HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 132, 817, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 27 VAL HB 28 ILE HN 3.96
&rst
ixpk= 0, nxpk= 0, iat= 403, 415, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 96 GLN HB2 97 ALA HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1491,1504, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 39 ASN HN 52 GLU- QG 4.48
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 809, 810,
&end
#
# 46 LYS+ HB3 47 ASN HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 705, 722, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 42 MET QB 43 LEU HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 639, 640,
&end
#
# 24 GLU- HB3 25 GLY HN 4.10
&rst
ixpk= 0, nxpk= 0, iat= 367, 377, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 57 GLU- HB2 58 ALA HN 3.89
&rst
ixpk= 0, nxpk= 0, iat= 881, 892, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 72 VAL HN 78 ILE HG13 5.25
&rst
ixpk= 0, nxpk= 0, iat=1098,1206, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 87 GLU- HB3 88 LEU HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1360,1370, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 20 ILE HN 22 VAL HB 4.82
&rst
ixpk= 0, nxpk= 0, iat= 301, 336, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 37 VAL HB 38 THR HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 21 ASP- HN 22 VAL HB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 320, 336, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 22 VAL HB 23 THR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= 336, 348, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 74 ARG+ QG 75 GLY HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1140,1141,
&end
#
# 30 LEU HB3 31 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 52 GLU- HN 62 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 951, 952, 953,
&end
#
# 56 GLU- HB2 57 GLU- HN 4.43
&rst
ixpk= 0, nxpk= 0, iat= 866, 877, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 26 GLU- HB2 27 VAL HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 388, 399, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 53 MET QE 55 THR HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 828, 829, 830,
&end
#
# 87 GLU- HB2 88 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1359,1370, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 27 VAL HN 42 MET QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 646, 647, 648,
&end
#
# 53 MET QE 59 ALA HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 828, 829, 830,
&end
#
# 42 MET QE 43 LEU HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 646, 647, 648,
&end
#
# 74 ARG+ HB3 75 GLY HN 5.07
&rst
ixpk= 0, nxpk= 0, iat=1138,1157, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 24 GLU- HB2 25 GLY HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 366, 377, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 41 LEU HB3 42 MET HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 621, 635, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 41 LEU HB3 50 PHE HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= 621, 763, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 16 ARG+ HB3 18 LEU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 227, 268, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 16 ARG+ HB3 17 LYS+ HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= 227, 246, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 58 ALA HN 59 ALA QB 4.92
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 906, 907, 908,
&end
#
# 59 ALA QB 62 MET HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 906, 907, 908,
&end
#
# 11 ARG+ QG 56 GLU- HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 134, 135,
&end
#
# 59 ALA QB 61 THR HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 906, 907, 908,
&end
#
# 17 LYS+ QD 18 LEU HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 256, 257,
&end
#
# 40 LEU HB3 41 LEU HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 602, 616, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 13 ILE HN 52 GLU- QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 806, 807,
&end
#
# 36 LYS+ HB3 37 VAL HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 536, 553, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 36 LYS+ HB3 38 THR HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 536, 569, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 39 ASN HN 52 GLU- QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 806, 807,
&end
#
# 43 LEU HB3 46 LYS+ HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 657, 700, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 36 LYS+ HB3 54 ASN HND1 4.52
&rst
ixpk= 0, nxpk= 0, iat= 536, 843, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 36 LYS+ HB3 54 ASN HND2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 536, 844, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 52 GLU- QB 53 MET HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 806, 807,
&end
#
# 36 LYS+ HB3 54 ASN HN 4.16
&rst
ixpk= 0, nxpk= 0, iat= 536, 834, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 62 MET HN 63 VAL HB 4.59
&rst
ixpk= 0, nxpk= 0, iat= 940, 961, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 57 GLU- HN 58 ALA QB 5.38
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 896, 897, 898,
&end
#
# 48 GLN HB2 49 ALA HN 4.77
&rst
ixpk= 0, nxpk= 0, iat= 740, 753, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 58 ALA QB 61 THR HN 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 896, 897, 898,
&end
#
# 58 ALA QB 60 ASN HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 896, 897, 898,
&end
#
# 35 GLY HN 58 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 896, 897, 898,
&end
#
# 55 THR HN 58 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 896, 897, 898,
&end
#
# 63 VAL HB 64 ASN HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 961, 973, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 69 VAL HB 70 THR HN 4.07
&rst
ixpk= 0, nxpk= 0, iat=1058,1070, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 SER HN 69 VAL HB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 66 TYR HN 69 VAL HB 5.21
&rst
ixpk= 0, nxpk= 0, iat=1008,1058, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 31 GLY HN 32 LEU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 464, 475, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 36 LYS+ HB2 37 VAL HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= 535, 553, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 36 LYS+ HB2 54 ASN HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= 535, 834, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 46 LYS+ HB2 47 ASN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 704, 722, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 36 LYS+ HB2 54 ASN HND1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 535, 843, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 36 LYS+ HB2 54 ASN HND2 5.02
&rst
ixpk= 0, nxpk= 0, iat= 535, 844, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 74 ARG+ HB2 75 GLY HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1137,1157, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 20 ILE HG13 21 ASP- HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 312, 320, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 58 ALA HN 61 THR QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 932, 933, 934,
&end
#
# 73 LEU HN 78 ILE HG12 4.56
&rst
ixpk= 0, nxpk= 0, iat=1114,1205, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 61 THR QG2 64 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 932, 933, 934,
&end
#
# 62 MET HB2 63 VAL HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 944, 957, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 72 VAL HN 78 ILE HG12 4.29
&rst
ixpk= 0, nxpk= 0, iat=1098,1205, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 61 THR HN 61 THR QG2 4.24
&rst
ixpk= 0, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 932, 933, 934,
&end
#
# 34 PHE HN 61 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 40 LEU HB2 41 LEU HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 601, 616, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 36 LYS+ HG3 37 VAL HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 539, 553, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 97 ALA QB 98 ARG+ HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1514, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1508,1509,1510,
&end
#
# 41 LEU HG 50 PHE HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= 623, 763, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 36 LYS+ HG3 54 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 539, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LEU HG 42 MET HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 623, 635, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 6 ALA HN 6 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 73, 74, 75,
&end
#
# 17 LYS+ QG 18 LEU HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 268, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 253, 254,
&end
#
# 6 ALA QB 7 GLY HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 73, 74, 75,
&end
#
# 16 ARG+ HN 17 LYS+ QG 4.94
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 253, 254,
&end
#
# 15 ILE HB 49 ALA HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 207, 753, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 43 LEU HB2 46 LYS+ HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 656, 700, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 43 LEU HB2 47 ASN HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 656, 722, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 43 LEU HB2 48 GLN HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= 656, 736, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 67 THR QG2 68 SER HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1035,1036,1037,
&end
#
# 41 LEU HB2 42 MET HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 620, 635, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 55 THR QG2 58 ALA HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 854, 855, 856,
&end
#
# 55 THR QG2 56 GLU- HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 854, 855, 856,
&end
#
# 55 THR QG2 57 GLU- HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 854, 855, 856,
&end
#
# 20 ILE HG12 21 ASP- HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 311, 320, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 54 ASN HND2 55 THR QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 854, 855, 856,
&end
#
# 73 LEU HB2 74 ARG+ HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 23 THR QG2 26 GLU- HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 354, 355, 356,
&end
#
# 23 THR QG2 27 VAL HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 354, 355, 356,
&end
#
# 71 PRO HB2 72 VAL HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1091,1098, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 20 ILE HG12 22 VAL HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 311, 332, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 23 THR QG2 25 GLY HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 354, 355, 356,
&end
#
# 43 LEU HG 48 GLN HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 659, 736, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 70 THR QG2 80 ILE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1076,1077,1078,
&end
#
# 29 SER HN 30 LEU HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 434, 449, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 30 LEU HB2 31 GLY HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= 449, 464, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 18 LEU QB 22 VAL HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 272, 273,
&end
#
# 16 ARG+ QG 17 LYS+ HN 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 229, 230,
&end
#
# 32 LEU HN 37 VAL QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 563, 564, 565,
&end
#
# 90 THR QG2 91 ASP- HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1417,1418,1419,
&end
#
# 22 VAL QG2 26 GLU- HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 342, 343, 344,
&end
#
# 22 VAL QG2 27 VAL HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 399, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 342, 343, 344,
&end
#
# 21 ASP- HN 22 VAL QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2= 342, 343, 344,
&end
#
# 22 VAL QG2 23 THR HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 342, 343, 344,
&end
#
# 20 ILE HN 22 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 342, 343, 344,
&end
#
# 37 VAL QG1 40 LEU HN 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 597, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 559, 560, 561,
&end
#
# 28 ILE HN 28 ILE QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 421, 422, 423,
&end
#
# 28 ILE QG2 30 LEU HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 421, 422, 423,
&end
#
# 27 VAL HN 28 ILE QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 421, 422, 423,
&end
#
# 28 ILE QG2 29 SER HN 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 421, 422, 423,
&end
#
# 25 GLY HN 28 ILE QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 421, 422, 423,
&end
#
# 12 VAL QG2 14 HIS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 161, 162, 163,
&end
#
# 26 GLU- HN 28 ILE QG2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 421, 422, 423,
&end
#
# 12 VAL HN 12 VAL QG2 5.17
&rst
ixpk= 0, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 161, 162, 163,
&end
#
# 20 ILE QG2 21 ASP- HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 307, 308, 309,
&end
#
# 20 ILE QG2 22 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 307, 308, 309,
&end
#
# 32 LEU QD2 34 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 484, 485, 486,
&end
#
# 32 LEU QD2 35 GLY HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 484, 485, 486,
&end
#
# 25 GLY HN 40 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 610, 611, 612,
&end
#
# 7 GLY HN 8 VAL QQG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 79, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 GLU- HN 27 VAL QG2 4.65
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 409, 410, 411,
&end
#
# 43 LEU QD2 49 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 665, 666, 667,
&end
#
# 23 THR HN 27 VAL QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 409, 410, 411,
&end
#
# 78 ILE QG2 80 ILE HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1201,1202,1203,
&end
#
# 69 VAL QG2 70 THR HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1064,1065,1066,
&end
#
# 18 LEU HN 78 ILE QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1201,1202,1203,
&end
#
# 28 ILE QD1 29 SER HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 428, 429, 430,
&end
#
# 25 GLY HN 27 VAL QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 409, 410, 411,
&end
#
# 13 ILE QD1 62 MET HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 180, 181, 182,
&end
#
# 13 ILE QD1 82 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 180, 181, 182,
&end
#
# 28 ILE QD1 30 LEU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 428, 429, 430,
&end
#
# 13 ILE QD1 63 VAL HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 180, 181, 182,
&end
#
# 28 ILE QD1 31 GLY HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 428, 429, 430,
&end
#
# 73 LEU QD2 74 ARG+ HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1127,1128,1129,
&end
#
# 22 VAL QG1 26 GLU- HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 338, 339, 340,
&end
#
# 13 ILE QG2 80 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 173, 174, 175,
&end
#
# 29 SER HN 30 LEU QD1 5.07
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 454, 455, 456,
&end
#
# 30 LEU QD2 31 GLY HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 458, 459, 460,
&end
#
# 12 VAL QG1 53 MET HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 157, 158, 159,
&end
#
# 11 ARG+ HN 12 VAL QG1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 157, 158, 159,
&end
#
# 15 ILE QG2 49 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 209, 210, 211,
&end
#
# 12 VAL QG1 87 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 157, 158, 159,
&end
#
# 15 ILE QG2 17 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 246, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 209, 210, 211,
&end
#
# 66 TYR HN 80 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1241,1242,1243,
&end
#
# 72 VAL QG1 74 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1104,1105,1106,
&end
#
# 72 VAL QG1 75 GLY HN 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1104,1105,1106,
&end
#
# 68 SER HN 69 VAL QG1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1060,1061,1062,
&end
#
# 66 TYR HN 69 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1060,1061,1062,
&end
#
# 67 THR HN 69 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1060,1061,1062,
&end
#
# 63 VAL QG2 82 PHE HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 967, 968, 969,
&end
#
# 63 VAL QG2 64 ASN HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 967, 968, 969,
&end
#
# 52 GLU- HN 88 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1383,1384,1385,
&end
#
# 40 LEU HN 88 LEU QD2 5.44
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr2=1383,1384,1385,
&end
#
# 39 ASN HND2 88 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1383,1384,1385,
&end
#
# 66 TYR HN 80 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1248,1249,1250,
&end
#
# 62 MET HN 63 VAL QG1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 963, 964, 965,
&end
#
# 63 VAL QG1 82 PHE HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1271, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 963, 964, 965,
&end
#
# 63 VAL QG1 64 ASN HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 963, 964, 965,
&end
#
# 33 PRO HB2 34 PHE HN 4.74
&rst
ixpk= 0, nxpk= 0, iat= 497, 504, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 41 LEU HN 41 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 625, 626, 627,
&end
#
# 42 MET HG3 50 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 643, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 PHE HN 88 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1383,1384,1385,
&end
#
# 60 ASN HN 63 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 963, 964, 965,
&end
#
# 64 ASN HA 64 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 975, 983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ASN HA 64 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 975, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ASN HN 54 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 834, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL QG2 83 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 161, 162, 163,
&end
#
# 12 VAL HA 87 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 153,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL QG2 87 GLU- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 161, 162, 163,
&end
#
# 52 GLU- HA 88 LEU HN 5.90
&rst
ixpk= 0, nxpk= 0, iat= 804,1370, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 85 HIS QB 88 LEU HN 5.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=1320,1321,
&end
#
# 39 ASN HB2 88 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 587,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL HB 88 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 155,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 GLU- QB 88 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 806, 807,
&end
#
# 12 VAL QG2 88 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 161, 162, 163,
&end
#
# 16 ARG+ HN 16 ARG+ HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 ARG+ HN 16 ARG+ HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 PHE HD 34 PHE HZ 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 512, 520,
&end
#
# 35 GLY HN 36 LYS+ HN 3.36
&rst
ixpk= 0, nxpk= 0, iat= 524, 531, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 50 PHE HD 50 PHE HZ 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 775, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 771, 779,
&end
#
# 65 TYR HE 66 TYR HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 997,1002,
&end
#
# 65 TYR HD 66 TYR HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 995,1004,
&end
#
# 65 TYR HA 65 TYR HD 3.23
&rst
ixpk= 0, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 995,1004,
&end
#
# 34 PHE HA 34 PHE HD 3.17
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 512, 520,
&end
#
# 79 TYR HA 79 TYR HD 3.33
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1222,1231,
&end
#
# 66 TYR HA 66 TYR HD 3.44
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1016,1025,
&end
#
# 82 PHE HA 82 PHE HD 3.32
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1279,1287,
&end
#
# 50 PHE HA 50 PHE HE 5.18
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 773, 777,
&end
#
# 50 PHE HA 50 PHE HD 3.77
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 771, 779,
&end
#
# 103 RU H4' 103 RU H1' 3.87
&rst
ixpk= 0, nxpk= 0, iat=1653,1656, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 53 MET HA 54 ASN HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 819, 836, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 31 GLY HA2 34 PHE HD 4.19
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 512, 520,
&end
#
# 60 ASN HA 82 PHE HZ 3.59
&rst
ixpk= 0, nxpk= 0, iat= 914,1283, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 60 ASN HA 82 PHE HE 3.36
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1281,1285,
&end
#
# 60 ASN HA 60 ASN HND1 4.73
&rst
ixpk= 0, nxpk= 0, iat= 914, 921, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 66 TYR HD 70 THR HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1016,1025,
&end
#
# 78 ILE HA 79 TYR HD 4.11
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1222,1231,
&end
#
# 50 PHE HE 102 RC H4' 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 773, 777,
&end
#
# 66 TYR HD 71 PRO HD3 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1016,1025,
&end
#
# 30 LEU HA 34 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 514, 518,
&end
#
# 50 PHE HE 102 RC H5' 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1619, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 773, 777,
&end
#
# 33 PRO HA 34 PHE HD 4.88
&rst
ixpk= 0, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 512, 520,
&end
#
# 66 TYR HE 71 PRO HD2 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1018,1023,
&end
#
# 66 TYR HD 71 PRO HD2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1016,1025,
&end
#
# 29 SER QB 30 LEU HN 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 445, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 438, 439,
&end
#
# 33 PRO HD3 34 PHE HD 5.20
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 512, 520,
&end
#
# 63 VAL HA 66 TYR HD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1016,1025,
&end
#
# 16 ARG+ HD3 79 TYR HD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1222,1231,
&end
#
# 60 ASN QB 82 PHE HZ 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 916, 917,
&end
#
# 60 ASN QB 82 PHE HE 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 916, 917,
igr2=1281,1285,
&end
#
# 60 ASN QB 60 ASN HND1 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 916, 917,
&end
#
# 17 LYS+ QE 79 TYR HD 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 259, 260,
igr2=1222,1231,
&end
#
# 34 PHE HZ 65 TYR HB3 4.42
&rst
ixpk= 0, nxpk= 0, iat= 516, 992, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 34 PHE HE 65 TYR HB3 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 514, 518,
&end
#
# 17 LYS+ QE 79 TYR HE 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 259, 260,
igr2=1224,1229,
&end
#
# 14 HIS HB3 50 PHE HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= 191, 765, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 14 HIS HB2 14 HIS HD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 190, 199, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 34 PHE HE 65 TYR HB2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 514, 518,
&end
#
# 34 PHE HZ 65 TYR HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 516, 991, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 62 MET HG3 66 TYR HD 4.64
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1016,1025,
&end
#
# 62 MET HG3 66 TYR HE 4.34
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1018,1023,
&end
#
# 34 PHE HD 62 MET HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 512, 520,
&end
#
# 34 PHE HE 62 MET HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 514, 518,
&end
#
# 62 MET HA 65 TYR HD 4.44
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 995,1004,
&end
#
# 34 PHE HZ 62 MET HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= 516, 942, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 34 PHE HD 62 MET HA 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 512, 520,
&end
#
# 62 MET HA 66 TYR HD 4.51
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1016,1025,
&end
#
# 34 PHE HD 62 MET HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 945, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 512, 520,
&end
#
# 17 LYS+ HB2 79 TYR HD 3.72
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1222,1231,
&end
#
# 34 PHE HE 62 MET HG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 514, 518,
&end
#
# 62 MET HG2 66 TYR HE 4.06
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1018,1023,
&end
#
# 77 PRO HB3 79 TYR HE 4.72
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1224,1229,
&end
#
# 62 MET HG2 66 TYR HD 4.20
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1016,1025,
&end
#
# 62 MET QE 65 TYR HD 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 951, 952, 953,
igr2= 995,1004,
&end
#
# 62 MET QE 66 TYR HE 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 951, 952, 953,
igr2=1018,1023,
&end
#
# 34 PHE HD 53 MET QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 512, 520,
igr2= 828, 829, 830,
&end
#
# 34 PHE HE 53 MET QE 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
igr1= 514, 518,
igr2= 828, 829, 830,
&end
#
# 53 MET HA 53 MET QE 3.76
&rst
ixpk= 0, nxpk= 0, iat= 819, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 828, 829, 830,
&end
#
# 16 ARG+ HB3 16 ARG+ HE 4.75
&rst
ixpk= 0, nxpk= 0, iat= 227, 235, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 41 LEU HB3 50 PHE HD 4.17
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 771, 779,
&end
#
# 59 ALA QB 82 PHE HZ 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 906, 907, 908,
&end
#
# 11 ARG+ QG 55 THR HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 134, 135,
&end
#
# 59 ALA QB 82 PHE HE 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 906, 907, 908,
igr2=1281,1285,
&end
#
# 9 PRO HG2 82 PHE HD 4.51
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1279,1287,
&end
#
# 17 LYS+ QD 79 TYR HD 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 256, 257,
igr2=1222,1231,
&end
#
# 17 LYS+ QD 79 TYR HE 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 256, 257,
igr2=1224,1229,
&end
#
# 63 VAL HB 64 ASN HND2 4.19
&rst
ixpk= 0, nxpk= 0, iat= 961, 983, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 9 PRO HB2 82 PHE HD 3.96
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1279,1287,
&end
#
# 65 TYR HE 69 VAL HB 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 997,1002,
&end
#
# 65 TYR HD 69 VAL HB 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 995,1004,
&end
#
# 46 LYS+ HB2 48 GLN HNE2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 704, 749, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 66 TYR HD 69 VAL HB 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1016,1025,
&end
#
# 34 PHE HD 61 THR QG2 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 512, 520,
igr2= 932, 933, 934,
&end
#
# 34 PHE HE 61 THR QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 514, 518,
igr2= 932, 933, 934,
&end
#
# 66 TYR HE 71 PRO HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1018,1023,
&end
#
# 65 TYR HE 71 PRO HB3 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 997,1002,
&end
#
# 61 THR QG2 65 TYR HD 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 932, 933, 934,
igr2= 995,1004,
&end
#
# 17 LYS+ QG 79 TYR HD 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 253, 254,
igr2=1222,1231,
&end
#
# 17 LYS+ QG 79 TYR HE 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 253, 254,
igr2=1224,1229,
&end
#
# 6 ALA QB 82 PHE HD 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 73, 74, 75,
igr2=1279,1287,
&end
#
# 6 ALA QB 82 PHE HE 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 73, 74, 75,
igr2=1281,1285,
&end
#
# 49 ALA QB 50 PHE HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 757, 758, 759,
&end
#
# 66 TYR HD 70 THR QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1016,1025,
igr2=1076,1077,1078,
&end
#
# 70 THR QG2 79 TYR HD 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1076,1077,1078,
igr2=1222,1231,
&end
#
# 16 ARG+ QG 79 TYR HE 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 229, 230,
igr2=1224,1229,
&end
#
# 16 ARG+ QG 79 TYR HD 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 229, 230,
igr2=1222,1231,
&end
#
# 37 VAL QG1 53 MET HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 559, 560, 561,
&end
#
# 32 LEU QD2 34 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 484, 485, 486,
igr2= 512, 520,
&end
#
# 12 VAL QG2 50 PHE HD 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 161, 162, 163,
igr2= 771, 779,
&end
#
# 12 VAL QG2 50 PHE HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 161, 162, 163,
&end
#
# 12 VAL QG2 50 PHE HE 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 161, 162, 163,
igr2= 773, 777,
&end
#
# 41 LEU QD2 103 RU H1' 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 629, 630, 631,
&end
#
# 14 HIS HD2 43 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 665, 666, 667,
&end
#
# 43 LEU QD1 103 RU H1' 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 661, 662, 663,
&end
#
# 27 VAL HN 27 VAL QG2 3.51
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 409, 410, 411,
&end
#
# 43 LEU QD2 50 PHE HD 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 665, 666, 667,
igr2= 771, 779,
&end
#
# 78 ILE QG2 79 TYR HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1201,1202,1203,
&end
#
# 78 ILE QG2 79 TYR HD 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1201,1202,1203,
igr2=1222,1231,
&end
#
# 65 TYR HE 69 VAL QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 997,1002,
igr2=1064,1065,1066,
&end
#
# 65 TYR HD 69 VAL QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 995,1004,
igr2=1064,1065,1066,
&end
#
# 13 ILE QG2 50 PHE HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 173, 174, 175,
&end
#
# 30 LEU QD2 66 TYR HE 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 458, 459, 460,
igr2=1018,1023,
&end
#
# 30 LEU QD2 65 TYR HE 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 458, 459, 460,
igr2= 997,1002,
&end
#
# 18 LEU QD2 22 VAL HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 281, 282, 283,
&end
#
# 41 LEU QD1 50 PHE HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 625, 626, 627,
&end
#
# 41 LEU QD1 50 PHE HE 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 625, 626, 627,
igr2= 773, 777,
&end
#
# 66 TYR HD 80 ILE QG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1016,1025,
igr2=1241,1242,1243,
&end
#
# 41 LEU QD1 50 PHE HD 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 625, 626, 627,
igr2= 771, 779,
&end
#
# 41 LEU QD1 103 RU H1' 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1656, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 625, 626, 627,
&end
#
# 15 ILE QD1 50 PHE HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 216, 217, 218,
&end
#
# 65 TYR HE 69 VAL QG1 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 997,1002,
igr2=1060,1061,1062,
&end
#
# 65 TYR HD 69 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 995,1004,
igr2=1060,1061,1062,
&end
#
# 63 VAL QG2 64 ASN HND2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 967, 968, 969,
&end
#
# 63 VAL QG2 82 PHE HD 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 967, 968, 969,
igr2=1279,1287,
&end
#
# 63 VAL QG2 82 PHE HE 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 967, 968, 969,
igr2=1281,1285,
&end
#
# 50 PHE HD 88 LEU QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 771, 779,
igr2=1383,1384,1385,
&end
#
# 50 PHE HA 88 LEU QD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1383,1384,1385,
&end
#
# 66 TYR HD 80 ILE QD1 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1016,1025,
igr2=1248,1249,1250,
&end
#
# 66 TYR HE 80 ILE QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1018,1023,
igr2=1248,1249,1250,
&end
#
# 50 PHE HD 88 LEU QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 771, 779,
igr2=1379,1380,1381,
&end
#
# 63 VAL QG1 82 PHE HZ 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1283, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 963, 964, 965,
&end
#
# 63 VAL QG1 82 PHE HD 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 963, 964, 965,
igr2=1279,1287,
&end
#
# 63 VAL QG1 82 PHE HE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 963, 964, 965,
igr2=1281,1285,
&end
#
# 14 HIS HA 50 PHE HA 3.59
&rst
ixpk= 0, nxpk= 0, iat= 188, 765, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 16 ARG+ HA 48 GLN HA 3.73
&rst
ixpk= 0, nxpk= 0, iat= 224, 738, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 50 PHE HA 51 ILE HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 765, 785, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 37 VAL HA 53 MET HA 3.41
&rst
ixpk= 0, nxpk= 0, iat= 555, 819, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 34 PHE HZ 65 TYR HE 3.94
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 997,1002,
&end
#
# 34 PHE HZ 65 TYR HD 3.71
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 995,1004,
&end
#
# 50 PHE HE 102 RC H1' 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 773, 777,
&end
#
# 14 HIS HD2 50 PHE HE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 773, 777,
&end
#
# 65 TYR HE 66 TYR HD 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 997,1002,
igr2=1016,1025,
&end
#
# 65 TYR HD 66 TYR HD 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 995,1004,
igr2=1016,1025,
&end
#
# 14 HIS HD2 50 PHE HZ 4.46
&rst
ixpk= 0, nxpk= 0, iat= 199, 775, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 34 PHE HE 65 TYR HE 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 514, 518,
igr2= 997,1002,
&end
#
# 34 PHE HE 65 TYR HD 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 514, 518,
igr2= 995,1004,
&end
#
# 50 PHE HD 102 RC H1' 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 771, 779,
&end
#
# 14 HIS HD2 50 PHE HD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 771, 779,
&end
#
# 65 TYR HE 66 TYR HE 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 997,1002,
igr2=1018,1023,
&end
#
# 65 TYR HD 66 TYR HE 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 995,1004,
igr2=1018,1023,
&end
#
# 48 GLN HA 48 GLN HG3 3.90
&rst
ixpk= 0, nxpk= 0, iat= 738, 744, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 48 GLN HA 48 GLN HG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 738, 743, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 66 TYR HA 69 VAL HB 3.58
&rst
ixpk= 0, nxpk= 0, iat=1010,1058, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 48 GLN HA 49 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 757, 758, 759,
&end
#
# 18 LEU QB 48 GLN HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 272, 273,
&end
#
# 66 TYR HA 80 ILE QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1248,1249,1250,
&end
#
# 47 ASN HB3 48 GLN HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= 727, 738, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 100 RC H5'' 100 RC H6 4.89
&rst
ixpk= 0, nxpk= 0, iat=1559,1567, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 100 RC H5' 100 RC H6 4.72
&rst
ixpk= 0, nxpk= 0, iat=1558,1567, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 100 RC H2' 100 RC H6 3.35
&rst
ixpk= 0, nxpk= 0, iat=1580,1567, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 100 RC H3' 100 RC H6 5.32
&rst
ixpk= 0, nxpk= 0, iat=1578,1567, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 103 RU H2' 103 RU H6 3.74
&rst
ixpk= 0, nxpk= 0, iat=1671,1659, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 103 RU H3' 103 RU H6 4.26
&rst
ixpk= 0, nxpk= 0, iat=1669,1659, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 102 RC H3' 102 RC H6 4.42
&rst
ixpk= 0, nxpk= 0, iat=1639,1628, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 102 RC H5' 102 RC H6 4.79
&rst
ixpk= 0, nxpk= 0, iat=1619,1628, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 101 RU H3' 101 RU H6 4.05
&rst
ixpk= 0, nxpk= 0, iat=1608,1598, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 101 RU H2' 101 RU H6 3.15
&rst
ixpk= 0, nxpk= 0, iat=1610,1598, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 101 RU H5' 101 RU H6 4.51
&rst
ixpk= 0, nxpk= 0, iat=1589,1598, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 101 RU H5'' 101 RU H6 4.68
&rst
ixpk= 0, nxpk= 0, iat=1590,1598, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 104 RC H2' 104 RC H6 4.13
&rst
ixpk= 0, nxpk= 0, iat=1702,1689, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 104 RC H3' 104 RC H6 4.98
&rst
ixpk= 0, nxpk= 0, iat=1700,1689, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 101 RU H1' 102 RC H6 4.58
&rst
ixpk= 0, nxpk= 0, iat=1595,1628, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 100 RC H4' 100 RC H1' 3.99
&rst
ixpk= 0, nxpk= 0, iat=1561,1564, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 102 RC H4' 102 RC H1' 4.68
&rst
ixpk= 0, nxpk= 0, iat=1622,1625, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 102 RC H5'' 102 RC H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1620,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 RC H5' 102 RC H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1619,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 RU H5' 101 RU H1' 4.66
&rst
ixpk= 0, nxpk= 0, iat=1589,1595, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 100 RC H5' 100 RC H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1558,1564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 RC H5'' 100 RC H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat=1559,1564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 RU H3' 103 RU H1' 4.15
&rst
ixpk= 0, nxpk= 0, iat=1669,1656, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 105 RU H3' 105 RU H1' 4.03
&rst
ixpk= 0, nxpk= 0, iat=1730,1717, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 79 TYR HE 100 RC H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1224,1229,
&end
#
# 79 TYR HD 100 RC H3' 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1578, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1222,1231,
&end
#
# 12 VAL HA 50 PHE HD 5.33
&rst
ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 771, 779,
&end
#
# 66 TYR HD 71 PRO HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1016,1025,
&end
#
# 9 PRO HD3 82 PHE HD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1279,1287,
&end
#
# 25 GLY HA2 27 VAL HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 379, 399, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 33 PRO HD2 34 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 512, 520,
&end
#
# 63 VAL HA 66 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1018,1023,
&end
#
# 33 PRO HD2 34 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 514, 518,
&end
#
# 33 PRO HB2 34 PHE HD 5.04
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 512, 520,
&end
#
# 33 PRO HB2 34 PHE HE 5.09
&rst
ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 514, 518,
&end
#
# 63 VAL QG1 66 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 963, 964, 965,
igr2=1016,1025,
&end
#
# 18 LEU QB 48 GLN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 272, 273,
&end
#
# 78 ILE QD1 79 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1208,1209,1210,
igr2=1222,1231,
&end
#
# 77 PRO HG2 79 TYR HE 5.32
&rst
ixpk= 0, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1224,1229,
&end
#
# 62 MET HG2 65 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 997,1002,
&end
#
# 62 MET HG3 65 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 997,1002,
&end
#
# 34 PHE HE 62 MET HG3 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 514, 518,
&end
#
# 65 TYR HE 66 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 997,1002,
&end
#
# 50 PHE HZ 102 RC H1' 4.69
&rst
ixpk= 0, nxpk= 0, iat= 775,1625, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 65 TYR HD 80 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 995,1004,
igr2=1248,1249,1250,
&end
#
# 30 LEU QD2 65 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 458, 459, 460,
igr2= 995,1004,
&end
#
# 43 LEU QD2 50 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 765, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 665, 666, 667,
&end
#
# 41 LEU HB3 50 PHE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 621, 765, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 62 MET HG2 65 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995,1004,
&end
#
# 62 MET HB3 65 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 995,1004,
&end
#
# 34 PHE HZ 62 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 516, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 MET HG3 65 TYR HD 5.28
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 995,1004,
&end
#
# 37 VAL HB 53 MET HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 557, 819, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 14 HIS HD2 83 SER QB 5.14
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1295,1296,
&end
#
# 14 HIS HA 50 PHE HE 5.15
&rst
ixpk= 0, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 773, 777,
&end
# 1736 atoms read from pdb file ../PTB.amb.pdb.
# 100 CYT DELTA: (100 RC5 C5')-(100 RC5 C4')-(100 RC5 C3')-(100 RC5 O3') 130.0 190.0
&rst iat = 1557, 1560, 1577, 1583,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
rk2 = 32.0, rk3 = 32.0, &end
# 101 URA DELTA: (101 RU C5')-(101 RU C4')-(101 RU C3')-(101 RU O3') 130.0 190.0
&rst iat = 1588, 1591, 1607, 1613,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 102 CYT DELTA: (102 RC C5')-(102 RC C4')-(102 RC C3')-(102 RC O3') 130.0 190.0
&rst iat = 1618, 1621, 1638, 1644,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 103 URA DELTA: (103 RU C5')-(103 RU C4')-(103 RU C3')-(103 RU O3') 130.0 190.0
&rst iat = 1649, 1652, 1668, 1674,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 104 CYT DELTA: (104 RC C5')-(104 RC C4')-(104 RC C3')-(104 RC O3') 130.0 190.0
&rst iat = 1679, 1682, 1699, 1705,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 105 URA DELTA: (105 RU3 C5')-(105 RU3 C4')-(105 RU3 C3')-(105 RU3 O3') 130.0 190.0
&rst iat = 1710, 1713, 1729, 1735,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
# 105 URA DELTA: (105 RU3 C5')-(105 RU3 C4')-(105 RU3 C3')-(105 RU3 O3') 130.0 190.0
&rst iat = 1710, 1713, 1729, 1735,
r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
&end
#
# 13 ILE HN 51 ILE O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 167, 800, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80,
rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
&end
#
# 14 HIS HN 81 GLN O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 186,1269, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 15 ILE HN 49 ALA O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 203, 761, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 16 ARG+ HN 79 TYR O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 222,1233, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 27 VAL HN 23 THR O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 399, 360, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 28 ILE HN 24 GLU- O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 415, 375, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 29 SER HN 25 GLY O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 434, 382, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 30 LEU HN 26 GLU- O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 445, 397, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 31 GLY HN 27 VAL O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 464, 413, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 32 LEU HN 28 ILE O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 471, 432, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 39 ASN HN 52 GLU- O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 583, 815, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 41 LEU HN 50 PHE O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 616, 781, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 43 LEU HN 48 GLN O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 652, 751, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 49 ALA HN 15 ILE O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 753, 220, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 50 PHE HN 41 LEU O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 763, 633, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 51 ILE HN 13 ILE O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 783, 184, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 52 GLU- HN 39 ASN O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 802, 595, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 53 MET HN 11 ARG+ O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 817, 149, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 59 ALA HN 55 THR O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 902, 860, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 60 ASN HN 56 GLU- O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 912, 875, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 61 THR HN 57 GLU- O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 926, 890, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 62 MET HN 58 ALA O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 940, 900, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 63 VAL HN 59 ALA O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 957, 910, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 64 ASN HN 60 ASN O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 973, 924, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 65 TYR HN 61 THR O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat= 987, 938, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 66 TYR HN 62 MET O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1008, 955, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 68 SER HN 64 ASN O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1043, 985, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 69 VAL HN 65 TYR O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1054,1006, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 81 GLN HN 14 HIS O 0.5 2.3
&rst
ixpk= 0, nxpk= 0, iat=1254, 201, r1= 0.00, r2= 0.50, r3= 2.30, r4= 2.80, &end
#
# 103 RU H1' 103 RU H6 3.50 30.0
&rst
ixpk= 0, nxpk= 0, iat=1656,1659, r1= 3.00, r2= 3.50, r3=30.00, r4=30.50, &end
#
# 103 RU H1' 43 LEU HG 5.00 30.0
&rst
ixpk= 0, nxpk= 0, iat=1656, 659, r1= 4.50, r2= 5.00, r3=30.00, r4=30.50, &end
#
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