NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
16549 |
2adb   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 128 RC H1' 128 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=1984,1987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
&end
#
# 128 RC H2' 128 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=2000,1989, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 128 RC H2' 128 RC H6 3.00
&rst
ixpk= 0, nxpk= 0, iat=2000,1987, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 128 RC H3' 128 RC H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=1998,1989, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 128 RC H3' 128 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=1998,1987, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 128 RC Q5' 128 RC H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1978,1979,
&end
#
# 129 RU H1' 129 RU H5 5.50
&rst
ixpk= 0, nxpk= 0, iat=2015,2020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 129 RU H1' 129 RU H6 4.50
&rst
ixpk= 0, nxpk= 0, iat=2015,2018, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 RU H2' 129 RU H5 4.50
&rst
ixpk= 0, nxpk= 0, iat=2030,2020, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 129 RU H2' 129 RU H6 3.00
&rst
ixpk= 0, nxpk= 0, iat=2030,2018, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 129 RU H3' 129 RU H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=2028,2020, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 RU H3' 129 RU H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=2028,2018, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 RU H4' 129 RU H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=2012,2018, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 RU Q5' 129 RU H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2009,2010,
&end
#
# 129 RU Q5' 129 RU H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2009,2010,
&end
#
# 129 RU H1' 130 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=2015,2048, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 129 RU H2' 130 RC H5 4.00
&rst
ixpk= 0, nxpk= 0, iat=2030,2050, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 RU H3' 130 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=2028,2048, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 129 RU H3' 130 RC H5 4.00
&rst
ixpk= 0, nxpk= 0, iat=2028,2050, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 130 RC H1' 130 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=2045,2048, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 RC H2' 130 RC H6 2.50
&rst
ixpk= 0, nxpk= 0, iat=2061,2048, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 130 RC H3' 130 RC H5 5.00
&rst
ixpk= 0, nxpk= 0, iat=2059,2050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 RC H3' 130 RC H6 3.00
&rst
ixpk= 0, nxpk= 0, iat=2059,2048, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 130 RC Q5' 130 RC H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2050, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2039,2040,
&end
#
# 130 RC Q5' 130 RC H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2048, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2039,2040,
&end
#
# 131 RU H1' 131 RU H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=2076,2079, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 RU H2' 131 RU H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=2091,2081, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 RU H2' 131 RU H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=2091,2079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 RU H3' 131 RU H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=2089,2081, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 RU H3' 131 RU H6 3.50
&rst
ixpk= 0, nxpk= 0, iat=2089,2079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 131 RU H4' 131 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat=2073,2079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 131 RU Q5' 131 RU H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2081, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2070,2071,
&end
#
# 131 RU Q5' 131 RU H6 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2070,2071,
&end
#
# 132 RC H1' 132 RC H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=2106,2109, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 132 RC H2' 132 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=2122,2109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 132 RC H3' 132 RC H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=2120,2111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 RC H3' 132 RC H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=2120,2109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 132 RC H4' 132 RC H5 6.00
&rst
ixpk= 0, nxpk= 0, iat=2103,2111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 132 RC Q5' 132 RC H5 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2111, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2100,2101,
&end
#
# 132 RC Q5' 132 RC H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2109, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2100,2101,
&end
#
# 133 RU H1' 133 RU H6 5.00
&rst
ixpk= 0, nxpk= 0, iat=2137,2140, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 RU H2' 133 RU H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=2152,2140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 133 RU H3' 133 RU H6 4.00
&rst
ixpk= 0, nxpk= 0, iat=2150,2140, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 133 RU H4' 133 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat=2134,2140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 133 RU Q5' 133 RU H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2140, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2131,2132,
&end
#
# 129 RU H1' 47 LYS+ QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 745, 746,
&end
#
# 129 RU H1' 47 LYS+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 748, 749,
&end
#
# 129 RU H1' 47 LYS+ QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=2015, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 751, 752,
&end
#
# 130 RC H6 14 ARG+ QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 178, 179,
&end
#
# 130 RC H6 14 ARG+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 181, 182,
&end
#
# 130 RC H6 88 LYS+ QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1378,1379,
&end
#
# 130 RC H6 88 LYS+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1381,1382,
&end
#
# 130 RC H6 88 LYS+ QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=2048, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1384,1385,
&end
#
# 130 RC H5 14 ARG+ QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 178, 179,
&end
#
# 130 RC H5 14 ARG+ QD 4.00
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 181, 182,
&end
#
# 130 RC H5 88 LYS+ QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1378,1379,
&end
#
# 130 RC H5 88 LYS+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1381,1382,
&end
#
# 130 RC H5 88 LYS+ QE 3.00
&rst
ixpk= 0, nxpk= 0, iat=2050, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1384,1385,
&end
#
# 130 RC H1' 45 PHE HE 7.00
&rst
ixpk= 0, nxpk= 0, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 714, 718,
&end
#
# 130 RC H1' 45 PHE HZ 7.00
&rst
ixpk= 0, nxpk= 0, iat=2045, 716, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 130 RC H1' 54 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2045, 858, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 RC H1' 88 LYS+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1381,1382,
&end
#
# 130 RC H1' 88 LYS+ QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=2045, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1384,1385,
&end
#
# 130 RC H2' 88 LYS+ QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1384,1385,
&end
#
# 130 RC H3' 88 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2059, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1384,1385,
&end
#
# 130 RC H4' 47 LYS+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 748, 749,
&end
#
# 130 RC H4' 47 LYS+ QE 6.00
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 751, 752,
&end
#
# 130 RC Q5' 47 LYS+ QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=2039,2040,
igr2= 748, 749,
&end
#
# 130 RC Q5' 47 LYS+ QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2039,2040,
igr2= 751, 752,
&end
#
# 130 RC H4' 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 712, 720,
&end
#
# 130 RC H4' 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 714, 718,
&end
#
# 130 RC H4' 45 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=2042, 716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 130 RC H4' 16 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 220, 221, 222,
&end
#
# 130 RC H4' 16 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=2042, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 227, 228, 229,
&end
#
# 130 RC Q5' 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2039,2040,
igr2= 714, 718,
&end
#
# 130 RC Q5' 45 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 716, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2039,2040,
&end
#
# 130 RC Q5' 16 ILE QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=2039,2040,
igr2= 220, 221, 222,
&end
#
# 130 RC Q5' 16 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=2039,2040,
igr2= 227, 228, 229,
&end
#
# 131 RU H6 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 714, 718,
&end
#
# 131 RU H6 45 PHE HD 7.00
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2= 712, 720,
&end
#
# 131 RU H6 45 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=2079, 716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 131 RU H6 89 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1402,1403,1404,
&end
#
# 131 RU H6 89 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1406,1407,1408,
&end
#
# 131 RU H6 43 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 684, 685, 686,
&end
#
# 131 RU H6 43 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 677, 678, 679,
&end
#
# 131 RU H5 89 LEU QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1402,1403,1404,
&end
#
# 131 RU H5 89 LEU QD2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2081, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1406,1407,1408,
&end
#
# 131 RU H1' 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 712, 720,
&end
#
# 131 RU H1' 43 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 677, 678, 679,
&end
#
# 131 RU H1' 43 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 684, 685, 686,
&end
#
# 133 RU H1' 95 LYS+ HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2137,1488, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 RU H1' 95 LYS+ QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1490,1491,
&end
#
# 133 RU H1' 95 LYS+ QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1493,1494,
&end
#
# 133 RU H1' 95 LYS+ QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1496,1497,
&end
#
# 133 RU H1' 95 LYS+ QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1499,1500,
&end
#
# 133 RU H1' 96 TYR HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=2137,1513, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 133 RU H1' 96 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1516,1525,
&end
#
# 133 RU H1' 96 TYR HE 5.00
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1518,1523,
&end
#
# 41 LYS+ HN 57 TYR HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 630, 909, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 LYS+ HN 56 GLN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 630, 890, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 42 ILE HA 56 GLN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 654, 890, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 42 ILE HA 55 LEU HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 654, 873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 ILE HN 55 LEU HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 671, 873, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 43 ILE HN 54 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 671, 852, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 44 THR HA 53 ALA HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 692, 844, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 44 THR HA 54 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 692, 852, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 57 TYR HN 12 VAL HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 907, 138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 56 GLN HA 12 VAL HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 892, 138, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 56 GLN HA 13 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 892, 152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 LEU HN 13 LEU HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 871, 152, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 55 LEU HN 14 ARG+ HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 871, 173, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 54 LEU HA 14 ARG+ HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 854, 173, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 LEU HA 15 ILE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 854, 195, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 ALA HN 15 ILE HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 842, 195, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 53 ALA HN 16 ILE HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 842, 216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 13 LEU HA 87 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 154,1360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 LEU HA 86 PHE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 154,1342, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 14 ARG+ HN 86 PHE HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 171,1342, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 14 ARG+ HN 85 ASP- HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 171,1328, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 ILE HA 85 ASP- HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 197,1328, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 15 ILE HA 84 ILE HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 197,1311, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 ILE HN 84 ILE HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 214,1311, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 ILE HN 83 ARG+ HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 214,1285, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 43 ILE HA 101 SER HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 673,1593, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 43 ILE HA 102 ARG+ HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 673,1602, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 41 LYS+ HA 103 ASP- HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 632,1628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 42 ILE HN 103 ASP- HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 652,1628, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 42 ILE HN 102 ARG+ HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 652,1602, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 14 ARG+ QB 87 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 175, 176,
&end
#
# 90 THR QG2 10 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1418,1419,1420,
&end
#
# 90 THR QG2 10 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 113, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1418,1419,1420,
&end
#
# 90 THR QG2 10 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1418,1419,1420,
igr2= 115, 116,
&end
#
# 90 THR QG2 11 PRO QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1418,1419,1420,
igr2= 123, 124,
&end
#
# 56 GLN HNE2 91 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 903,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 56 GLN HNE1 91 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= 902,1428, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 92 LEU HN 91 SER HA 3.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1428, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 54 LEU HA 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 854,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 GLN HA 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 892,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 GLN QG 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 897, 898,
&end
#
# 56 GLN HN 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 890,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 41 LYS+ HN 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 630,1443, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 12 VAL QQG 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 139,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 VAL HB 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 140,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 LEU HA 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 154,1443, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, &end
#
# 54 LEU HG 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 859,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 LEU QB 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1443, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 856, 857,
&end
#
# 55 LEU HA 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 873,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 55 LEU HN 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 871,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 LEU QQD 45 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 858, 716, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 54 LEU QQD 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 714, 718,
&end
#
# 103 ASP- HN 94 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1626,1474, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 103 ASP- QB 94 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1630,1631,
&end
#
# 101 SER QB 94 VAL HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1595,1596,
&end
#
# 103 ASP- QB 94 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1630,1631,
&end
#
# 101 SER QB 94 VAL QQG 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1473, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1595,1596,
&end
#
# 103 ASP- HN 94 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1626,1473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 TYR HN 94 VAL HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1508,1472, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 TYR HN 94 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1508,1473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 TYR HN 109 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1508,1729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 TYR HA 109 LEU QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1727,1728,
&end
#
# 96 TYR HA 109 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1510,1729, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 TYR HA 97 ASN HN 3.00
&rst
ixpk= 0, nxpk= 0, iat=1510,1529, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 96 TYR HA 110 PRO QG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1746,1747,
&end
#
# 96 TYR QB 95 LYS+ QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1512,1513,
igr2=1490,1491,
&end
#
# 96 TYR QB 95 LYS+ HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1488, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1512,1513,
&end
#
# 96 TYR QB 111 SER HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1512,1513,
&end
#
# 97 ASN HN 111 SER HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1529,1758, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 97 ASN HN 111 SER QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1760,1761,
&end
#
# 97 ASN HN 103 ASP- HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1529,1626, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ASN HN 102 ARG+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1529,1602, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ASN HA 98 ASN HN 3.00
&rst
ixpk= 0, nxpk= 0, iat=1531,1543, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 97 ASN HA 98 ASN HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1531,1545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 100 LYS+ QG 45 PHE QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1576,1577,
igr2= 708, 709,
&end
#
# 100 LYS+ QG 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1576,1577,
igr2= 712, 720,
&end
#
# 100 LYS+ QG 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1576,1577,
igr2= 714, 718,
&end
#
# 100 LYS+ QD 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1579,1580,
igr2= 712, 720,
&end
#
# 100 LYS+ QD 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1579,1580,
igr2= 714, 718,
&end
#
# 100 LYS+ QE 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1582,1583,
igr2= 712, 720,
&end
#
# 100 LYS+ QE 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1582,1583,
igr2= 714, 718,
&end
#
# 47 LYS+ QB 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 742, 743,
igr2= 712, 720,
&end
#
# 47 LYS+ QB 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 742, 743,
igr2= 714, 718,
&end
#
# 47 LYS+ QG 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746,
igr2= 712, 720,
&end
#
# 47 LYS+ QG 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 745, 746,
igr2= 714, 718,
&end
#
# 47 LYS+ QD 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 748, 749,
igr2= 712, 720,
&end
#
# 47 LYS+ QD 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 748, 749,
igr2= 714, 718,
&end
#
# 47 LYS+ QD 48 ASN QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 748, 749,
igr2= 769, 770,
&end
#
# 47 LYS+ QE 45 PHE HD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 751, 752,
igr2= 712, 720,
&end
#
# 47 LYS+ QE 45 PHE HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 751, 752,
igr2= 714, 718,
&end
#
# 47 LYS+ QE 48 ASN QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 751, 752,
igr2= 769, 770,
&end
#
# 34 SER HA 39 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 601, 602, 603,
&end
#
# 42 ILE HA 55 LEU HB3 4.47
&rst
ixpk= 0, nxpk= 0, iat= 654, 876, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 42 ILE HA 42 ILE QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 665, 666, 667,
&end
#
# 42 ILE HA 42 ILE QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 658, 659, 660,
&end
#
# 16 ILE QG2 17 VAL HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 235, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 220, 221, 222,
&end
#
# 17 VAL HA 17 VAL QG1 3.85
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 239, 240, 241,
&end
#
# 15 ILE HA 84 ILE HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= 197,1311, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 44 THR HA 53 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 846, 847, 848,
&end
#
# 26 LEU QD2 44 THR HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 395, 396, 397,
&end
#
# 57 TYR HA 57 TYR HD 4.51
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 915, 924,
&end
#
# 39 VAL HA 57 TYR HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 597, 909, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 57 TYR HA 58 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 932, 933, 934,
&end
#
# 39 VAL QG2 57 TYR HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 605, 606, 607,
&end
#
# 43 ILE QG2 101 SER HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 677, 678, 679,
&end
#
# 12 VAL QG2 56 GLN HA 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 146, 147, 148,
&end
#
# 96 TYR HA 96 TYR HD 4.08
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1516,1525,
&end
#
# 10 SER HA 11 PRO HD2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 113, 123, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 10 SER HA 11 PRO HG3 4.78
&rst
ixpk= 0, nxpk= 0, iat= 113, 127, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 42 ILE QG2 55 LEU HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 658, 659, 660,
&end
#
# 13 LEU HN 56 GLN HA 4.43
&rst
ixpk= 0, nxpk= 0, iat= 152, 892, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 83 ARG+ HA 83 ARG+ HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat=1287,1293, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 83 ARG+ HA 83 ARG+ HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1287,1292, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 12 VAL QG1 56 GLN HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 142, 143, 144,
&end
#
# 16 ILE QG2 52 GLN HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 220, 221, 222,
&end
#
# 54 LEU HA 54 LEU QD1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 861, 862, 863,
&end
#
# 106 ARG+ HA 106 ARG+ HG3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1675,1681, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 12 VAL QG2 13 LEU HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 146, 147, 148,
&end
#
# 74 ASN HA 82 LEU HN 4.32
&rst
ixpk= 0, nxpk= 0, iat=1154,1266, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 ASN HA 81 THR HA 4.24
&rst
ixpk= 0, nxpk= 0, iat=1154,1254, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 97 ASN HA 102 ARG+ HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1531,1604, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 59 ASP- HA 60 PRO HD3 3.79
&rst
ixpk= 0, nxpk= 0, iat= 940, 952, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 59 ASP- HA 60 PRO HD2 3.73
&rst
ixpk= 0, nxpk= 0, iat= 940, 951, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 59 ASP- HA 60 PRO HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 59 ASP- HA 60 PRO HG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 940, 954, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 58 ALA QB 59 ASP- HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 932, 933, 934,
&end
#
# 44 THR QG2 53 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 844, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 696, 697, 698,
&end
#
# 50 GLN HA 51 PHE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 790, 805, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 GLN HA 51 PHE HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= 790, 809, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 18 GLU- HA 20 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 287, 288, 289,
&end
#
# 109 LEU QD2 110 PRO HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1752, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1736,1737,1738,
&end
#
# 25 THR HB 26 LEU HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 44 THR HB 45 PHE HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= 694, 704, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 44 THR HB 51 PHE HE 4.10
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 815, 819,
&end
#
# 44 THR HB 53 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= 694, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 846, 847, 848,
&end
#
# 26 LEU QD2 44 THR HB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 694, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 395, 396, 397,
&end
#
# 46 THR HN 46 THR HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= 724, 728, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 45 PHE HA 46 THR HB 4.48
&rst
ixpk= 0, nxpk= 0, iat= 706, 728, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 105 THR HA 105 THR HB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1661,1663, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 12 VAL QG1 90 THR HB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1416, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 142, 143, 144,
&end
#
# 121 THR HB 122 MET HN 3.20
&rst
ixpk= 0, nxpk= 0, iat=1891,1901, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 117 SER HA 121 THR HB 4.67
&rst
ixpk= 0, nxpk= 0, iat=1830,1891, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 118 LEU HA 121 THR HB 4.28
&rst
ixpk= 0, nxpk= 0, iat=1841,1891, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 118 LEU QD1 121 THR HB 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1891, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1848,1849,1850,
&end
#
# 38 THR HB 58 ALA QB 3.89
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 932, 933, 934,
&end
#
# 61 VAL HA 64 GLN HN 3.86
&rst
ixpk= 0, nxpk= 0, iat= 966,1001, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 61 VAL HA 64 GLN HG2 4.52
&rst
ixpk= 0, nxpk= 0, iat= 966,1008, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 61 VAL HA 64 GLN QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1005,1006,
&end
#
# 32 ILE HA 34 SER HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 484, 521, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 56 GLN HNE2 91 SER QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1430,1431,
&end
#
# 31 GLN HG2 32 ILE HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 472, 484, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 32 ILE HA 32 ILE HG13 3.85
&rst
ixpk= 0, nxpk= 0, iat= 484, 493, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 32 ILE HA 35 LYS+ HD3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 484, 543, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 32 ILE HA 32 ILE HG12 3.86
&rst
ixpk= 0, nxpk= 0, iat= 484, 492, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 69 SER HB2 70 LEU HN 4.42
&rst
ixpk= 0, nxpk= 0, iat=1090,1097, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 36 PHE HE 69 SER HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1090, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 564, 568,
&end
#
# 66 ALA HA 69 SER HB2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1037,1090, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 69 SER HB2 70 LEU QD2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1110,1111,1112,
&end
#
# 75 ILE HA 75 ILE HG12 3.86
&rst
ixpk= 0, nxpk= 0, iat=1168,1176, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 75 ILE HA 75 ILE QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1179,1180,1181,
&end
#
# 69 SER HB3 70 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1110,1111,1112,
&end
#
# 39 VAL HA 39 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 601, 602, 603,
&end
#
# 30 HIS+ HA 42 ILE QD1 4.33
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 665, 666, 667,
&end
#
# 30 HIS+ HA 39 VAL QG1 4.49
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 601, 602, 603,
&end
#
# 67 LYS+ HA 84 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1322,1323,1324,
&end
#
# 67 LYS+ HA 84 ILE QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1315,1316,1317,
&end
#
# 9 GLN HA 10 SER HN 3.09
&rst
ixpk= 0, nxpk= 0, iat= 96, 111, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 9 GLN HA 10 SER HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= 96, 113, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 9 GLN HA 9 GLN QG 3.64
&rst
ixpk= 0, nxpk= 0, iat= 96, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 101, 102,
&end
#
# 43 ILE QG2 101 SER HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1596, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 677, 678, 679,
&end
#
# 10 SER HB3 11 PRO HD2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 116, 123, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 121 THR HA 121 THR QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1889, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1893,1894,1895,
&end
#
# 23 PRO HA 26 LEU HB3 4.44
&rst
ixpk= 0, nxpk= 0, iat= 348, 387, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 33 PHE HA 33 PHE HD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 509, 517,
&end
#
# 33 PHE HA 36 PHE HD 4.25
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 562, 570,
&end
#
# 33 PHE HA 66 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1039,1040,1041,
&end
#
# 33 PHE HA 70 LEU QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 503, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1106,1107,1108,
&end
#
# 104 TYR HA 104 TYR HD 4.04
&rst
ixpk= 0, nxpk= 0, iat=1640, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1646,1655,
&end
#
# 116 PRO HA 117 SER HN 3.10
&rst
ixpk= 0, nxpk= 0, iat=1824,1828, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 38 THR HA 39 VAL QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 601, 602, 603,
&end
#
# 11 PRO HD2 90 THR HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 123,1414, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 90 THR HA 90 THR QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1418,1419,1420,
&end
#
# 68 LEU HB3 69 SER HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=1072,1088, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 117 SER HA 118 LEU HN 3.08
&rst
ixpk= 0, nxpk= 0, iat=1830,1839, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 36 PHE HA 36 PHE HD 3.93
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 562, 570,
&end
#
# 117 SER HA 118 LEU QD1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1830, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1848,1849,1850,
&end
#
# 114 SER HA 114 SER QB 2.73
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2=1790,1791,
&end
#
# 64 GLN HA 86 PHE HE 4.07
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1350,1354,
&end
#
# 64 GLN HA 64 GLN HNE2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1003,1014, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 64 GLN HA 64 GLN HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1003,1008, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 64 GLN HA 67 LYS+ HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1003,1050, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 64 GLN HA 67 LYS+ HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1003,1049, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 64 GLN HA 68 LEU HG 4.78
&rst
ixpk= 0, nxpk= 0, iat=1003,1074, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 31 GLN HA 32 ILE HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 467, 484, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 26 LEU HA 29 LEU HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat= 384, 434, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 26 LEU HA 42 ILE QD1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 665, 666, 667,
&end
#
# 35 LYS+ HA 35 LYS+ HD2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 534, 542, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 95 LYS+ HA 96 TYR HD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1516,1525,
&end
#
# 95 LYS+ HA 94 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat=1488,1473, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 95 LYS+ HA 96 TYR HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1488,1508, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 ASP- HA 73 GLN HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1118,1135, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 120 GLN HA 123 ALA HN 4.36
&rst
ixpk= 0, nxpk= 0, iat=1872,1918, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 88 LYS+ HA 88 LYS+ QD 3.84
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1381,1382,
&end
#
# 88 LYS+ HA 88 LYS+ QG 3.25
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1378,1379,
&end
#
# 29 LEU HA 29 LEU QD1 3.66
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 438, 439, 440,
&end
#
# 6 MET HA 6 MET HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 62, 67, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 6 MET HA 7 ALA QB 4.63
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 81, 82, 83,
&end
#
# 89 LEU HA 91 SER HN 4.21
&rst
ixpk= 0, nxpk= 0, iat=1395,1426, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 73 GLN HA 74 ASN HA 4.61
&rst
ixpk= 0, nxpk= 0, iat=1137,1154, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 118 LEU HA 123 ALA HA 3.79
&rst
ixpk= 0, nxpk= 0, iat=1841,1920, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 73 GLN HA 74 ASN HN 3.48
&rst
ixpk= 0, nxpk= 0, iat=1137,1152, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 122 MET HA 122 MET HG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1903,1908, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 122 MET HA 122 MET QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1905,1906,
&end
#
# 121 THR QG2 122 MET HA 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1893,1894,1895,
&end
#
# 123 ALA HA 126 PHE HD 4.60
&rst
ixpk= 0, nxpk= 0, iat=1920, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1956,1964,
&end
#
# 123 ALA HA 126 PHE HB2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1920,1952, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 122 MET QB 123 ALA HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1905,1906,
&end
#
# 118 LEU QB 123 ALA HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1920, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1=1843,1844,
&end
#
# 74 ASN HND2 78 ALA HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=1162,1222, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 74 ASN HND1 78 ALA HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=1161,1222, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 6 MET QB 7 ALA HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 79, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 64, 65,
&end
#
# 57 TYR HD 63 ALA HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 915, 924,
&end
#
# 57 TYR HE 63 ALA HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 917, 922,
&end
#
# 115 GLN HN 116 PRO HD3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1797,1816, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 106 ARG+ HA 107 PRO HD3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1675,1699, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 115 GLN HA 116 PRO HD3 2.98
&rst
ixpk= 0, nxpk= 0, iat=1799,1816, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 106 ARG+ HG3 107 PRO HD3 4.49
&rst
ixpk= 0, nxpk= 0, iat=1681,1699, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 109 LEU HB2 110 PRO HD2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1727,1743, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 107 PRO HD3 109 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1736,1737,1738,
&end
#
# 115 GLN HN 116 PRO HD2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1797,1815, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 115 GLN HA 116 PRO HD2 2.94
&rst
ixpk= 0, nxpk= 0, iat=1799,1815, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 106 ARG+ HA 107 PRO HD2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1675,1698, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 106 ARG+ HB2 107 PRO HD2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1677,1698, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 28 VAL HA 31 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL HA 31 GLN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 415, 469, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 28 VAL HA 29 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 438, 439, 440,
&end
#
# 117 SER HN 117 SER HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1828,1833, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 117 SER HB2 121 THR HB 3.81
&rst
ixpk= 0, nxpk= 0, iat=1832,1891, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 117 SER HB2 118 LEU QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1848,1849,1850,
&end
#
# 114 SER HN 114 SER QB 3.23
&rst
ixpk= 0, nxpk= 0, iat=1786, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1790,1791,
&end
#
# 114 SER QB 115 GLN HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1790,1791,
&end
#
# 36 PHE HE 66 ALA HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 564, 568,
&end
#
# 66 ALA HA 70 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1037,1104, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ALA HA 70 LEU QD1 4.84
&rst
ixpk= 0, nxpk= 0, iat=1037, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1106,1107,1108,
&end
#
# 8 GLY QA 64 GLN HNE2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 89, 90,
&end
#
# 7 ALA HA 8 GLY QA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 89, 90,
&end
#
# 8 GLY QA 9 GLN QG 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 89, 90,
igr2= 101, 102,
&end
#
# 7 ALA QB 8 GLY QA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 81, 82, 83,
igr2= 89, 90,
&end
#
# 112 GLY HA3 113 ASP- HA 4.64
&rst
ixpk= 0, nxpk= 0, iat=1770,1776, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 85 ASP- HN 85 ASP- HB3 4.15
&rst
ixpk= 0, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 85 ASP- HB3 86 PHE HN 3.91
&rst
ixpk= 0, nxpk= 0, iat=1333,1340, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 14 ARG+ HB2 85 ASP- HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 175,1333, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 59 ASP- HB2 61 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 974, 975, 976,
&end
#
# 16 ILE QD1 85 ASP- HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 227, 228, 229,
&end
#
# 85 ASP- HN 85 ASP- HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 14 ARG+ HB2 85 ASP- HB2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 175,1332, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 16 ILE QD1 85 ASP- HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 227, 228, 229,
&end
#
# 59 ASP- HB2 61 VAL HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 942, 964, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 59 ASP- HB2 60 PRO HD3 4.28
&rst
ixpk= 0, nxpk= 0, iat= 942, 952, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 59 ASP- HB2 60 PRO HD2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 942, 951, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 59 ASP- HB2 61 VAL HB 4.58
&rst
ixpk= 0, nxpk= 0, iat= 942, 968, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 58 ALA QB 59 ASP- HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 932, 933, 934,
&end
#
# 59 ASP- HB3 61 VAL HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 943, 964, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 59 ASP- HB3 60 PRO HD3 4.32
&rst
ixpk= 0, nxpk= 0, iat= 943, 952, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 59 ASP- HB3 60 PRO HD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 943, 951, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 59 ASP- HB3 61 VAL HB 4.56
&rst
ixpk= 0, nxpk= 0, iat= 943, 968, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 83 ARG+ QD 84 ILE HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1295,1296,
&end
#
# 83 ARG+ HA 83 ARG+ QD 4.32
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1295,1296,
&end
#
# 106 ARG+ HA 106 ARG+ HD3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1675,1684, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 106 ARG+ HD3 107 PRO HD3 4.33
&rst
ixpk= 0, nxpk= 0, iat=1684,1699, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 106 ARG+ HD2 109 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1736,1737,1738,
&end
#
# 100 LYS+ HB3 100 LYS+ QE 4.28
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1582,1583,
&end
#
# 100 LYS+ HB2 100 LYS+ QE 3.89
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1582,1583,
&end
#
# 100 LYS+ QG 100 LYS+ QE 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1576,1577,
igr2=1582,1583,
&end
#
# 71 ASP- HB3 72 GLY HA3 4.42
&rst
ixpk= 0, nxpk= 0, iat=1121,1131, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 102 ARG+ QD 103 ASP- HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1626, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1612,1613,
&end
#
# 102 ARG+ HA 102 ARG+ QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=1604, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1612,1613,
&end
#
# 102 ARG+ HB3 102 ARG+ QD 3.91
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1612,1613,
&end
#
# 102 ARG+ HB2 102 ARG+ QD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1606, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1612,1613,
&end
#
# 26 LEU QD1 102 ARG+ QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 391, 392, 393,
igr2=1612,1613,
&end
#
# 35 LYS+ HN 35 LYS+ QE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 545, 546,
&end
#
# 35 LYS+ HA 35 LYS+ QE 4.15
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 545, 546,
&end
#
# 32 ILE HA 35 LYS+ QE 4.27
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 545, 546,
&end
#
# 35 LYS+ HD2 35 LYS+ QE 2.63
&rst
ixpk= 0, nxpk= 0, iat= 542, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2= 545, 546,
&end
#
# 35 LYS+ HG3 35 LYS+ QE 3.34
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 545, 546,
&end
#
# 119 ASP- HN 119 ASP- QB 3.21
&rst
ixpk= 0, nxpk= 0, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1862,1863,
&end
#
# 27 ASP- HB3 28 VAL HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 406, 413, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 119 ASP- QB 120 GLN QG 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1862,1863,
igr2=1877,1878,
&end
#
# 119 ASP- QB 120 GLN HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1874, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1862,1863,
&end
#
# 27 ASP- HB3 31 GLN HNE1 4.71
&rst
ixpk= 0, nxpk= 0, iat= 406, 477, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 21 PHE HB3 22 TYR HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 322, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 27 ASP- HN 27 ASP- HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat= 401, 405, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 27 ASP- HB2 28 VAL QG2 5.12
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 423, 424, 425,
&end
#
# 99 ASP- QB 100 LYS+ HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1561,1562,
&end
#
# 108 ASP- HA 108 ASP- HB3 2.91
&rst
ixpk= 0, nxpk= 0, iat=1713,1716, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 108 ASP- HN 108 ASP- HB2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1711,1715, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 74 ASN HB2 75 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1179,1180,1181,
&end
#
# 126 PHE HB3 127 GLY HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=1953,1968, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 126 PHE HN 126 PHE HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1948,1953, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 118 LEU QB 126 PHE HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1843,1844,
&end
#
# 118 LEU QB 126 PHE HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1843,1844,
&end
#
# 118 LEU QD1 126 PHE HB2 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1848,1849,1850,
&end
#
# 49 ASN HN 49 ASN HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 774, 779, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 49 ASN HN 49 ASN HB2 3.92
&rst
ixpk= 0, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 49 ASN HB2 49 ASN HND2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 778, 784, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 49 ASN HB2 49 ASN HND1 3.88
&rst
ixpk= 0, nxpk= 0, iat= 778, 783, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 48 ASN HB2 49 ASN HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 764, 774, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 77 ASN HB3 78 ALA HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=1211,1220, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 48 ASN HB2 50 GLN HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 764, 788, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 48 ASN HB2 48 ASN HND1 4.07
&rst
ixpk= 0, nxpk= 0, iat= 764, 769, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 48 ASN HB3 49 ASN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 765, 774, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 50 GLN HG2 51 PHE HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 795, 805, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 50 GLN HN 50 GLN HG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 788, 795, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 50 GLN HA 50 GLN HG2 4.07
&rst
ixpk= 0, nxpk= 0, iat= 790, 795, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 115 GLN HA 115 GLN QG 3.67
&rst
ixpk= 0, nxpk= 0, iat=1799, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1804,1805,
&end
#
# 114 SER HA 115 GLN QG 4.55
&rst
ixpk= 0, nxpk= 0, iat=1788, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1804,1805,
&end
#
# 115 GLN HB3 115 GLN QG 2.89
&rst
ixpk= 0, nxpk= 0, iat=1802, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2=1804,1805,
&end
#
# 16 ILE QG2 50 GLN HG2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 220, 221, 222,
&end
#
# 29 LEU QD2 55 LEU HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 442, 443, 444,
&end
#
# 13 LEU HB2 55 LEU HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 156, 875, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 42 ILE QG2 55 LEU HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 658, 659, 660,
&end
#
# 15 ILE QD1 55 LEU HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 208, 209, 210,
&end
#
# 82 LEU HB2 82 LEU QD2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1279,1280,1281,
&end
#
# 70 LEU HB2 84 ILE HB 4.62
&rst
ixpk= 0, nxpk= 0, iat=1101,1313, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 89 LEU HB3 90 THR HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1398,1412, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 118 LEU QB 126 PHE HD 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1843,1844,
igr2=1956,1964,
&end
#
# 118 LEU HA 118 LEU QB 2.71
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1843,1844,
&end
#
# 118 LEU QB 122 MET QB 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1843,1844,
igr2=1905,1906,
&end
#
# 118 LEU QB 118 LEU QD1 2.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1843,1844,
igr2=1848,1849,1850,
&end
#
# 26 LEU HN 26 LEU HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 382, 387, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 67 LYS+ HN 68 LEU HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1045,1072, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 65 HIS+ HA 68 LEU HB3 4.36
&rst
ixpk= 0, nxpk= 0, iat=1020,1072, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 68 LEU HB3 68 LEU QD2 3.37
&rst
ixpk= 0, nxpk= 0, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1080,1081,1082,
&end
#
# 41 LYS+ HB3 103 ASP- HB2 4.63
&rst
ixpk= 0, nxpk= 0, iat= 635,1630, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 16 ILE HB 83 ARG+ HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 218,1292, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 20 LEU HB3 20 LEU QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 287, 288, 289,
&end
#
# 109 LEU HB2 110 PRO HD3 4.67
&rst
ixpk= 0, nxpk= 0, iat=1727,1744, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 75 ILE HB 76 TYR HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1170,1185, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 75 ILE HB 75 ILE QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1179,1180,1181,
&end
#
# 32 ILE HB 33 PHE HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= 486, 501, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 32 ILE HB 33 PHE HD 4.60
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 509, 517,
&end
#
# 32 ILE HB 32 ILE QD1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 486, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 495, 496, 497,
&end
#
# 45 PHE HD 47 LYS+ QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 712, 720,
igr2= 742, 743,
&end
#
# 47 LYS+ QB 47 LYS+ QE 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 742, 743,
igr2= 751, 752,
&end
#
# 77 ASN HB3 79 CYS HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1211,1234, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 30 HIS+ QB 31 GLN HN 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 452, 453,
&end
#
# 64 GLN HN 65 HIS+ QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1022,1023,
&end
#
# 36 PHE HD 65 HIS+ QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 562, 570,
igr2=1022,1023,
&end
#
# 62 SER HA 65 HIS+ QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1022,1023,
&end
#
# 65 HIS+ QB 66 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1022,1023,
igr2=1039,1040,1041,
&end
#
# 61 VAL QG1 65 HIS+ QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 970, 971, 972,
igr2=1022,1023,
&end
#
# 16 ILE HA 52 GLN QG 4.42
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 832, 833,
&end
#
# 16 ILE QG2 52 GLN QG 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 220, 221, 222,
igr2= 832, 833,
&end
#
# 16 ILE QD1 52 GLN QG 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 227, 228, 229,
igr2= 832, 833,
&end
#
# 95 LYS+ HB3 96 TYR HD 4.81
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1516,1525,
&end
#
# 95 LYS+ QB 96 TYR HE 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1490,1491,
igr2=1518,1523,
&end
#
# 95 LYS+ QG 96 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=1493,1494,
igr2=1516,1525,
&end
#
# 95 LYS+ QG 96 TYR HE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1493,1494,
igr2=1518,1523,
&end
#
# 95 LYS+ HB3 95 LYS+ QE 4.74
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1499,1500,
&end
#
# 95 LYS+ HB3 95 LYS+ QD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1496,1497,
&end
#
# 102 ARG+ HB2 108 ASP- HA 4.34
&rst
ixpk= 0, nxpk= 0, iat=1606,1713, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 95 LYS+ HB2 96 TYR HD 4.71
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1516,1525,
&end
#
# 95 LYS+ HB2 95 LYS+ QE 4.54
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1499,1500,
&end
#
# 95 LYS+ HB2 95 LYS+ QD 3.87
&rst
ixpk= 0, nxpk= 0, iat=1490, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1496,1497,
&end
#
# 73 GLN HG2 74 ASN HN 4.48
&rst
ixpk= 0, nxpk= 0, iat=1142,1152, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 50 GLN HG3 51 PHE HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 796, 805, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 31 GLN HN 31 GLN HG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 465, 472, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 120 GLN HN 120 GLN QG 3.95
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1877,1878,
&end
#
# 31 GLN HG2 32 ILE HN 3.95
&rst
ixpk= 0, nxpk= 0, iat= 472, 482, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 50 GLN HG3 50 GLN HNE2 4.09
&rst
ixpk= 0, nxpk= 0, iat= 796, 801, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 50 GLN HA 50 GLN HG3 4.10
&rst
ixpk= 0, nxpk= 0, iat= 790, 796, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 120 GLN HA 120 GLN QG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1872, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1877,1878,
&end
#
# 31 GLN HA 31 GLN HG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 28 VAL HA 31 GLN HG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 415, 472, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 73 GLN HB3 73 GLN HG3 2.83
&rst
ixpk= 0, nxpk= 0, iat=1140,1143, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 31 GLN HG2 32 ILE HG12 4.59
&rst
ixpk= 0, nxpk= 0, iat= 472, 492, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 28 VAL QG2 31 GLN HG2 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 423, 424, 425,
&end
#
# 31 GLN HN 31 GLN HG3 4.09
&rst
ixpk= 0, nxpk= 0, iat= 465, 473, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 31 GLN HG3 32 ILE HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 473, 482, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 64 GLN HN 64 GLN HG3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1001,1009, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 64 GLN HG3 64 GLN HNE2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1009,1014, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 31 GLN HG3 31 GLN HNE1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 473, 477, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 64 GLN HA 64 GLN HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat=1003,1009, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 31 GLN HA 31 GLN HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 467, 473, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 8 GLY QA 64 GLN HG3 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 89, 90,
&end
#
# 61 VAL HA 64 GLN HG3 4.23
&rst
ixpk= 0, nxpk= 0, iat= 966,1009, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 31 GLN HG3 32 ILE HB 4.08
&rst
ixpk= 0, nxpk= 0, iat= 473, 486, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 31 GLN HG3 32 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat= 473, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 VAL QG2 64 GLN HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 974, 975, 976,
&end
#
# 61 VAL QG1 64 GLN HG3 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 970, 971, 972,
&end
#
# 115 GLN QG 116 PRO HD2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1804,1805,
&end
#
# 52 GLN HN 52 GLN QG 4.76
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 832, 833,
&end
#
# 9 GLN QG 9 GLN HNE2 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 107, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 101, 102,
&end
#
# 9 GLN QG 9 GLN HNE1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 106, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 101, 102,
&end
#
# 9 GLN HB2 9 GLN QG 2.94
&rst
ixpk= 0, nxpk= 0, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 101, 102,
&end
#
# 96 TYR HD 110 PRO QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1516,1525,
igr2=1749,1750,
&end
#
# 96 TYR HE 110 PRO QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1518,1523,
igr2=1749,1750,
&end
#
# 96 TYR HE 110 PRO QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1518,1523,
igr2=1746,1747,
&end
#
# 122 MET QB 126 PHE HA 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1905,1906,
&end
#
# 6 MET HA 6 MET QB 2.85
&rst
ixpk= 0, nxpk= 0, iat= 62, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 64, 65,
&end
#
# 121 THR HB 122 MET QB 3.68
&rst
ixpk= 0, nxpk= 0, iat=1891, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1905,1906,
&end
#
# 18 GLU- HB3 18 GLU- HG2 2.87
&rst
ixpk= 0, nxpk= 0, iat= 254, 256, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 6 MET QB 6 MET HG2 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 67, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1= 64, 65,
&end
#
# 118 LEU HG 122 MET QB 3.72
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1905,1906,
&end
#
# 6 MET QB 7 ALA QB 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 64, 65,
igr2= 81, 82, 83,
&end
#
# 118 LEU QD1 122 MET QB 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1848,1849,1850,
igr2=1905,1906,
&end
#
# 122 MET HG3 126 PHE HA 4.63
&rst
ixpk= 0, nxpk= 0, iat=1909,1950, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 122 MET HA 122 MET HG3 4.26
&rst
ixpk= 0, nxpk= 0, iat=1903,1909, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 118 LEU QD1 122 MET HG3 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1909, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1848,1849,1850,
&end
#
# 122 MET QB 122 MET HG2 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1908, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr1=1905,1906,
&end
#
# 118 LEU HG 122 MET HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1846,1908, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 6 MET HG2 7 ALA HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 67, 77, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 23 PRO HB2 24 VAL HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 25 THR HN 28 VAL HB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 368, 417, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 28 VAL HB 29 LEU QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 438, 439, 440,
&end
#
# 88 LYS+ HN 88 LYS+ HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1371,1376, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 60 PRO HB2 64 GLN HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 957,1008, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 35 LYS+ HB2 36 PHE HE 4.56
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 564, 568,
&end
#
# 35 LYS+ HB2 36 PHE HD 4.31
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 562, 570,
&end
#
# 35 LYS+ HB3 36 PHE HD 4.38
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 562, 570,
&end
#
# 106 ARG+ HB2 109 LEU QD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1677, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1736,1737,1738,
&end
#
# 61 VAL HB 62 SER HN 3.68
&rst
ixpk= 0, nxpk= 0, iat= 968, 980, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 9 GLN HN 9 GLN HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat= 94, 99, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 8 GLY QA 9 GLN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 99, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 89, 90,
&end
#
# 9 GLN HB2 9 GLN HNE2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 98, 107, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 100 LYS+ HA 100 LYS+ QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1579,1580,
&end
#
# 100 LYS+ HB2 100 LYS+ QD 3.48
&rst
ixpk= 0, nxpk= 0, iat=1573, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1579,1580,
&end
#
# 120 GLN HN 120 GLN HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1870,1875, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 120 GLN HB3 123 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1875, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1922,1923,1924,
&end
#
# 115 GLN HB3 116 PRO HD3 4.09
&rst
ixpk= 0, nxpk= 0, iat=1802,1816, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 115 GLN HB3 116 PRO HD2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1802,1815, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 120 GLN HB2 123 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1874, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1922,1923,1924,
&end
#
# 116 PRO QG 121 THR QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1818,1819,
igr2=1893,1894,1895,
&end
#
# 114 SER HA 115 GLN HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat=1788,1801, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 95 LYS+ HN 95 LYS+ QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1496,1497,
&end
#
# 95 LYS+ QD 96 TYR HD 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1496,1497,
igr2=1516,1525,
&end
#
# 95 LYS+ QD 96 TYR HE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1496,1497,
igr2=1518,1523,
&end
#
# 95 LYS+ HA 95 LYS+ QD 3.86
&rst
ixpk= 0, nxpk= 0, iat=1488, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1496,1497,
&end
#
# 95 LYS+ QD 95 LYS+ QE 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1496,1497,
igr2=1499,1500,
&end
#
# 95 LYS+ QE 96 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=1499,1500,
igr2=1516,1525,
&end
#
# 95 LYS+ QE 96 TYR HE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1499,1500,
igr2=1518,1523,
&end
#
# 15 ILE HG13 84 ILE HB 3.91
&rst
ixpk= 0, nxpk= 0, iat= 206,1313, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 13 LEU HB2 15 ILE HG13 4.64
&rst
ixpk= 0, nxpk= 0, iat= 156, 206, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 15 ILE QG2 15 ILE HG13 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 201, 202, 203,
&end
#
# 31 GLN HN 31 GLN HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat= 465, 469, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 31 GLN HB2 32 ILE HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= 469, 482, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 64 GLN QB 64 GLN HNE2 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1005,1006,
&end
#
# 64 GLN QB 65 HIS+ QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1005,1006,
igr2=1022,1023,
&end
#
# 63 ALA QB 64 GLN QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 995, 996, 997,
igr2=1005,1006,
&end
#
# 28 VAL QG2 31 GLN HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 469, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 423, 424, 425,
&end
#
# 64 GLN QB 68 LEU QD2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1005,1006,
igr2=1080,1081,1082,
&end
#
# 61 VAL QG1 64 GLN QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 970, 971, 972,
igr2=1005,1006,
&end
#
# 83 ARG+ HN 83 ARG+ HG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1285,1292, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 35 LYS+ HA 35 LYS+ HD3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 534, 543, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 60 PRO HG3 61 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 974, 975, 976,
&end
#
# 60 PRO HG2 61 VAL HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 954, 964, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 9 GLN HA 60 PRO HG2 2.93
&rst
ixpk= 0, nxpk= 0, iat= 96, 954, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 88 LYS+ HN 88 LYS+ QD 4.33
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1381,1382,
&end
#
# 118 LEU HG 126 PHE HD 4.85
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1956,1964,
&end
#
# 118 LEU HA 118 LEU HG 3.24
&rst
ixpk= 0, nxpk= 0, iat=1841,1846, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 13 LEU HN 13 LEU QD2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 165, 166, 167,
&end
#
# 13 LEU QD2 14 ARG+ HN 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 165, 166, 167,
&end
#
# 13 LEU QD2 57 TYR HD 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 165, 166, 167,
igr2= 915, 924,
&end
#
# 13 LEU QD2 57 TYR HE 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 165, 166, 167,
igr2= 917, 922,
&end
#
# 13 LEU HA 13 LEU QD2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 165, 166, 167,
&end
#
# 13 LEU QD2 63 ALA HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 165, 166, 167,
&end
#
# 15 ILE QD1 55 LEU HG 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 208, 209, 210,
&end
#
# 26 LEU QD1 102 ARG+ HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 391, 392, 393,
&end
#
# 25 THR HB 26 LEU QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 391, 392, 393,
&end
#
# 26 LEU HB3 26 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 391, 392, 393,
&end
#
# 33 PHE HD 55 LEU QD2 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1= 509, 517,
igr2= 884, 885, 886,
&end
#
# 55 LEU HA 55 LEU QD2 4.79
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 884, 885, 886,
&end
#
# 33 PHE HB3 55 LEU QD2 5.10
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 884, 885, 886,
&end
#
# 33 PHE HB2 55 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 884, 885, 886,
&end
#
# 29 LEU HB2 55 LEU QD2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 884, 885, 886,
&end
#
# 55 LEU HB2 55 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 884, 885, 886,
&end
#
# 42 ILE QG2 55 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 658, 659, 660,
igr2= 884, 885, 886,
&end
#
# 39 VAL QG2 55 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 605, 606, 607,
igr2= 884, 885, 886,
&end
#
# 15 ILE QD1 55 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= 208, 209, 210,
igr2= 884, 885, 886,
&end
#
# 26 LEU QD1 102 ARG+ HG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1609, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 391, 392, 393,
&end
#
# 70 LEU HN 70 LEU QD1 4.60
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1106,1107,1108,
&end
#
# 36 PHE HE 70 LEU QD1 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 564, 568,
igr2=1106,1107,1108,
&end
#
# 33 PHE HE 70 LEU QD1 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 511, 515,
igr2=1106,1107,1108,
&end
#
# 70 LEU HA 70 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1106,1107,1108,
&end
#
# 40 LEU HN 40 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 624, 625, 626,
&end
#
# 40 LEU QD2 58 ALA HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 624, 625, 626,
&end
#
# 40 LEU QD2 56 GLN HNE1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 624, 625, 626,
&end
#
# 40 LEU QD2 58 ALA HA 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 624, 625, 626,
&end
#
# 40 LEU QD2 56 GLN HG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 897, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 624, 625, 626,
&end
#
# 106 ARG+ HN 106 ARG+ HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat=1673,1681, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 97 ASN HND1 109 LEU QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1732,1733,1734,
&end
#
# 109 LEU HA 109 LEU QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1732,1733,1734,
&end
#
# 109 LEU HB2 109 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat=1727, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1732,1733,1734,
&end
#
# 29 LEU QD1 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 438, 439, 440,
igr2= 884, 885, 886,
&end
#
# 40 LEU QD2 56 GLN HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 624, 625, 626,
&end
#
# 82 LEU HA 82 LEU QD2 3.42
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1279,1280,1281,
&end
#
# 20 LEU HN 20 LEU QD1 4.17
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 287, 288, 289,
&end
#
# 29 LEU HB3 29 LEU QD2 3.67
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 442, 443, 444,
&end
#
# 20 LEU HB2 20 LEU QD1 3.24
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 287, 288, 289,
&end
#
# 102 ARG+ HG3 103 ASP- HN 4.05
&rst
ixpk= 0, nxpk= 0, iat=1610,1626, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 97 ASN HND2 109 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat=1539, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1732,1733,1734,
&end
#
# 92 LEU HN 92 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1446,1447,1448,
&end
#
# 92 LEU HA 92 LEU QD1 4.66
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1446,1447,1448,
&end
#
# 26 LEU HA 26 LEU QD2 3.79
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 395, 396, 397,
&end
#
# 26 LEU QD2 102 ARG+ QD 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 395, 396, 397,
igr2=1612,1613,
&end
#
# 40 LEU HN 55 LEU QD1 4.68
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 880, 881, 882,
&end
#
# 39 VAL HN 55 LEU QD1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 880, 881, 882,
&end
#
# 55 LEU QD1 56 GLN HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 880, 881, 882,
&end
#
# 33 PHE HD 55 LEU QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 509, 517,
igr2= 880, 881, 882,
&end
#
# 55 LEU QD1 57 TYR HD 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 880, 881, 882,
igr2= 915, 924,
&end
#
# 55 LEU QD1 57 TYR HE 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 880, 881, 882,
igr2= 917, 922,
&end
#
# 55 LEU HA 55 LEU QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 880, 881, 882,
&end
#
# 39 VAL HA 55 LEU QD1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 880, 881, 882,
&end
#
# 33 PHE HB3 55 LEU QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 880, 881, 882,
&end
#
# 33 PHE HB2 55 LEU QD1 4.95
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 880, 881, 882,
&end
#
# 55 LEU QD1 63 ALA QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 880, 881, 882,
igr2= 995, 996, 997,
&end
#
# 39 VAL HB 55 LEU QD1 4.08
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 880, 881, 882,
&end
#
# 13 LEU HB2 55 LEU QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= 156, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 880, 881, 882,
&end
#
# 55 LEU HB2 55 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 880, 881, 882,
&end
#
# 42 ILE QG2 55 LEU QD1 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 658, 659, 660,
igr2= 880, 881, 882,
&end
#
# 39 VAL QG2 55 LEU QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 605, 606, 607,
igr2= 880, 881, 882,
&end
#
# 15 ILE QD1 55 LEU QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 208, 209, 210,
igr2= 880, 881, 882,
&end
#
# 100 LYS+ HN 100 LYS+ QG 4.38
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1576,1577,
&end
#
# 88 LYS+ HN 88 LYS+ QG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1378,1379,
&end
#
# 88 LYS+ QG 88 LYS+ QD 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1378,1379,
igr2=1381,1382,
&end
#
# 118 LEU HN 118 LEU QD2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1852,1853,1854,
&end
#
# 118 LEU QD2 126 PHE HD 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1852,1853,1854,
igr2=1956,1964,
&end
#
# 118 LEU QB 118 LEU QD2 2.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr1=1843,1844,
igr2=1852,1853,1854,
&end
#
# 118 LEU QD2 126 PHE HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1852,1853,1854,
&end
#
# 35 LYS+ HN 35 LYS+ HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat= 532, 539, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 35 LYS+ HA 35 LYS+ HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= 534, 539, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 LYS+ HG3 36 PHE HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 562, 570,
&end
#
# 35 LYS+ HA 35 LYS+ HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 534, 540, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 118 LEU HA 118 LEU QD1 2.80
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1848,1849,1850,
&end
#
# 117 SER HB3 118 LEU QD1 4.96
&rst
ixpk= 0, nxpk= 0, iat=1833, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1848,1849,1850,
&end
#
# 116 PRO HB3 118 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat=1822, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1848,1849,1850,
&end
#
# 92 LEU HA 92 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1450,1451,1452,
&end
#
# 53 ALA HN 53 ALA QB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 846, 847, 848,
&end
#
# 68 LEU HN 68 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1076,1077,1078,
&end
#
# 54 LEU HA 54 LEU QD2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 865, 866, 867,
&end
#
# 68 LEU HB2 68 LEU QD1 3.11
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1076,1077,1078,
&end
#
# 53 ALA QB 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 846, 847, 848,
igr2= 884, 885, 886,
&end
#
# 105 THR HN 105 THR QG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1665,1666,1667,
&end
#
# 105 THR QG2 106 ARG+ HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1665,1666,1667,
&end
#
# 105 THR QG2 106 ARG+ HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1665,1666,1667,
&end
#
# 104 TYR HB2 105 THR QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat=1642, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1665,1666,1667,
&end
#
# 27 ASP- HN 28 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 423, 424, 425,
&end
#
# 28 VAL HN 28 VAL QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 423, 424, 425,
&end
#
# 28 VAL HA 28 VAL QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 423, 424, 425,
&end
#
# 27 ASP- HB3 28 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 423, 424, 425,
&end
#
# 28 VAL QG2 31 GLN HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 470, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 423, 424, 425,
&end
#
# 13 LEU HN 13 LEU QD1 4.92
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 161, 162, 163,
&end
#
# 13 LEU QD1 14 ARG+ HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 87 SER HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 67 LYS+ HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 86 PHE HD 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 161, 162, 163,
igr2=1348,1356,
&end
#
# 13 LEU QD1 86 PHE HE 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 161, 162, 163,
igr2=1350,1354,
&end
#
# 13 LEU QD1 86 PHE HZ 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1352, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 57 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= 161, 162, 163,
igr2= 915, 924,
&end
#
# 13 LEU HA 13 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 161, 162, 163,
&end
#
# 13 LEU QD1 86 PHE HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 63 ALA HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 67 LYS+ HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 63 ALA QB 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 161, 162, 163,
igr2= 995, 996, 997,
&end
#
# 13 LEU HB3 13 LEU QD1 3.98
&rst
ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 161, 162, 163,
&end
#
# 13 LEU QD1 67 LYS+ HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 161, 162, 163,
&end
#
# 13 LEU QD1 15 ILE QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.90, r4= 8.40,
igr1= 161, 162, 163,
igr2= 208, 209, 210,
&end
#
# 61 VAL HN 61 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 974, 975, 976,
&end
#
# 51 PHE HD 53 ALA QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 813, 821,
igr2= 846, 847, 848,
&end
#
# 61 VAL QG2 63 ALA HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 974, 975, 976,
&end
#
# 60 PRO HD2 61 VAL QG2 4.87
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 974, 975, 976,
&end
#
# 61 VAL QG2 64 GLN QB 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 974, 975, 976,
igr2=1005,1006,
&end
#
# 89 LEU QD2 90 THR HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1406,1407,1408,
&end
#
# 81 THR HN 81 THR QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1258,1259,1260,
&end
#
# 61 VAL HA 61 VAL QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 974, 975, 976,
&end
#
# 44 THR HN 44 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 696, 697, 698,
&end
#
# 44 THR QG2 45 PHE HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 696, 697, 698,
&end
#
# 44 THR HA 44 THR QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 692, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 696, 697, 698,
&end
#
# 26 LEU HA 44 THR QG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 696, 697, 698,
&end
#
# 26 LEU HB3 44 THR QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 696, 697, 698,
&end
#
# 26 LEU HG 44 THR QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 696, 697, 698,
&end
#
# 44 THR QG2 53 ALA QB 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 696, 697, 698,
igr2= 846, 847, 848,
&end
#
# 26 LEU QD2 44 THR QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 395, 396, 397,
igr2= 696, 697, 698,
&end
#
# 40 LEU HN 40 LEU QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 620, 621, 622,
&end
#
# 94 VAL QG2 95 LYS+ HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1480,1481,1482,
&end
#
# 94 VAL HA 95 LYS+ HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1472,1486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 109 LEU HN 109 LEU QD2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1736,1737,1738,
&end
#
# 97 ASN HND1 109 LEU QD2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1538, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1736,1737,1738,
&end
#
# 94 VAL HA 94 VAL QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1472, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1480,1481,1482,
&end
#
# 106 ARG+ HB3 109 LEU QD2 3.11
&rst
ixpk= 0, nxpk= 0, iat=1678, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1736,1737,1738,
&end
#
# 109 LEU HB3 109 LEU QD2 3.25
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1736,1737,1738,
&end
#
# 38 THR QG2 40 LEU QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 587, 588, 589,
igr2= 620, 621, 622,
&end
#
# 12 VAL HN 12 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 146, 147, 148,
&end
#
# 94 VAL HN 94 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1480,1481,1482,
&end
#
# 39 VAL QG1 40 LEU HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 601, 602, 603,
&end
#
# 39 VAL HN 39 VAL QG1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 601, 602, 603,
&end
#
# 33 PHE HN 39 VAL QG1 5.01
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 601, 602, 603,
&end
#
# 34 SER HN 39 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 601, 602, 603,
&end
#
# 70 LEU HN 70 LEU QD2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1110,1111,1112,
&end
#
# 33 PHE HD 39 VAL QG1 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1= 509, 517,
igr2= 601, 602, 603,
&end
#
# 36 PHE HE 70 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 564, 568,
igr2=1110,1111,1112,
&end
#
# 39 VAL QG1 57 TYR HD 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 601, 602, 603,
igr2= 915, 924,
&end
#
# 39 VAL QG1 57 TYR HE 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 601, 602, 603,
igr2= 917, 922,
&end
#
# 39 VAL QG2 40 LEU HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 605, 606, 607,
&end
#
# 70 LEU HA 70 LEU QD2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1110,1111,1112,
&end
#
# 34 SER HB3 39 VAL QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 601, 602, 603,
&end
#
# 33 PHE HB2 39 VAL QG1 4.98
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 601, 602, 603,
&end
#
# 70 LEU HB2 70 LEU QD2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1110,1111,1112,
&end
#
# 25 THR QG2 26 LEU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 374, 375, 376,
&end
#
# 90 THR HN 90 THR QG2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1418,1419,1420,
&end
#
# 121 THR QG2 122 MET HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1893,1894,1895,
&end
#
# 121 THR QG2 123 ALA HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1893,1894,1895,
&end
#
# 24 VAL HN 25 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 374, 375, 376,
&end
#
# 25 THR QG2 28 VAL HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 413, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 374, 375, 376,
&end
#
# 90 THR QG2 91 SER HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1418,1419,1420,
&end
#
# 25 THR HN 25 THR QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 374, 375, 376,
&end
#
# 25 THR HA 25 THR QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 374, 375, 376,
&end
#
# 11 PRO HD3 90 THR QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1418,1419,1420,
&end
#
# 11 PRO HD2 90 THR QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1418,1419,1420,
&end
#
# 121 THR QG2 122 MET HG3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1909, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1893,1894,1895,
&end
#
# 120 GLN QG 121 THR QG2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1877,1878,
igr2=1893,1894,1895,
&end
#
# 25 THR QG2 28 VAL HB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 417, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 374, 375, 376,
&end
#
# 121 THR QG2 122 MET QB 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1893,1894,1895,
igr2=1905,1906,
&end
#
# 116 PRO HB2 121 THR QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1893,1894,1895,
&end
#
# 25 THR QG2 26 LEU HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 387, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 374, 375, 376,
&end
#
# 25 THR QG2 26 LEU HG 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 389, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 374, 375, 376,
&end
#
# 25 THR QG2 29 LEU QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 374, 375, 376,
igr2= 438, 439, 440,
&end
#
# 38 THR QG2 39 VAL HN 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 587, 588, 589,
&end
#
# 38 THR QG2 58 ALA HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 587, 588, 589,
&end
#
# 38 THR HA 38 THR QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= 583, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 587, 588, 589,
&end
#
# 38 THR QG2 58 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 587, 588, 589,
igr2= 932, 933, 934,
&end
#
# 38 THR QG2 39 VAL QG1 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 587, 588, 589,
igr2= 601, 602, 603,
&end
#
# 74 ASN HA 81 THR QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1258,1259,1260,
&end
#
# 12 VAL QG1 13 LEU HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 142, 143, 144,
&end
#
# 12 VAL QG1 57 TYR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 142, 143, 144,
&end
#
# 12 VAL HN 12 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 142, 143, 144,
&end
#
# 12 VAL QG1 56 GLN HNE1 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 142, 143, 144,
&end
#
# 12 VAL HA 12 VAL QG1 4.15
&rst
ixpk= 0, nxpk= 0, iat= 138, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 142, 143, 144,
&end
#
# 12 VAL QG1 90 THR HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 142, 143, 144,
&end
#
# 12 VAL QG1 91 SER HA 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 142, 143, 144,
&end
#
# 12 VAL QG1 91 SER QB 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 142, 143, 144,
igr2=1430,1431,
&end
#
# 12 VAL QG1 56 GLN HG3 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 142, 143, 144,
&end
#
# 11 PRO HG3 12 VAL QG1 4.80
&rst
ixpk= 0, nxpk= 0, iat= 127, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 142, 143, 144,
&end
#
# 11 PRO HG2 12 VAL QG1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 142, 143, 144,
&end
#
# 12 VAL QG1 56 GLN HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 142, 143, 144,
&end
#
# 12 VAL QG1 90 THR QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 142, 143, 144,
igr2=1418,1419,1420,
&end
#
# 39 VAL QG2 56 GLN HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 605, 606, 607,
&end
#
# 28 VAL QG1 32 ILE HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 482, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 419, 420, 421,
&end
#
# 28 VAL HN 28 VAL QG1 4.47
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 419, 420, 421,
&end
#
# 28 VAL QG1 29 LEU HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 431, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 419, 420, 421,
&end
#
# 28 VAL HA 28 VAL QG1 3.92
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 419, 420, 421,
&end
#
# 28 VAL QG1 31 GLN HG2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 419, 420, 421,
&end
#
# 28 VAL QG1 32 ILE HG13 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 419, 420, 421,
&end
#
# 28 VAL QG1 32 ILE QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
igr1= 419, 420, 421,
igr2= 488, 489, 490,
&end
#
# 46 THR QG2 49 ASN HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 730, 731, 732,
&end
#
# 46 THR QG2 47 LYS+ HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 730, 731, 732,
&end
#
# 46 THR QG2 50 GLN HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 730, 731, 732,
&end
#
# 46 THR HA 46 THR QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 730, 731, 732,
&end
#
# 46 THR QG2 50 GLN HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 730, 731, 732,
&end
#
# 46 THR QG2 50 GLN HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 730, 731, 732,
&end
#
# 17 VAL HN 17 VAL QG1 4.26
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 239, 240, 241,
&end
#
# 16 ILE HA 17 VAL QG1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 239, 240, 241,
&end
#
# 61 VAL HN 61 VAL QG1 3.60
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 970, 971, 972,
&end
#
# 61 VAL HA 61 VAL QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 970, 971, 972,
&end
#
# 70 LEU HN 84 ILE QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1315,1316,1317,
&end
#
# 71 ASP- HN 84 ILE QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1315,1316,1317,
&end
#
# 83 ARG+ HA 84 ILE QG2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1315,1316,1317,
&end
#
# 84 ILE HA 84 ILE QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1315,1316,1317,
&end
#
# 15 ILE HA 84 ILE QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1315,1316,1317,
&end
#
# 71 ASP- HA 84 ILE QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1315,1316,1317,
&end
#
# 84 ILE QG2 84 ILE HG12 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1315,1316,1317,
&end
#
# 66 ALA HN 66 ALA QB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1039,1040,1041,
&end
#
# 36 PHE HD 66 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 562, 570,
igr2=1039,1040,1041,
&end
#
# 33 PHE HE 66 ALA QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 511, 515,
igr2=1039,1040,1041,
&end
#
# 36 PHE HA 66 ALA QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 556, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1039,1040,1041,
&end
#
# 63 ALA HA 66 ALA QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1039,1040,1041,
&end
#
# 36 PHE HB3 66 ALA QB 4.24
&rst
ixpk= 0, nxpk= 0, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1039,1040,1041,
&end
#
# 63 ALA QB 66 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 995, 996, 997,
igr2=1039,1040,1041,
&end
#
# 66 ALA QB 70 LEU HG 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1039,1040,1041,
&end
#
# 66 ALA QB 70 LEU QD1 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1039,1040,1041,
igr2=1106,1107,1108,
&end
#
# 120 GLN HN 123 ALA QB 5.01
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1922,1923,1924,
&end
#
# 119 ASP- HN 123 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat=1858, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1922,1923,1924,
&end
#
# 123 ALA HN 123 ALA QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1922,1923,1924,
&end
#
# 123 ALA QB 124 ALA HN 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1928, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1922,1923,1924,
&end
#
# 120 GLN QG 123 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1877,1878,
igr2=1922,1923,1924,
&end
#
# 15 ILE QG2 16 ILE HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 201, 202, 203,
&end
#
# 58 ALA HN 58 ALA QB 3.81
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 932, 933, 934,
&end
#
# 57 TYR HD 58 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 915, 924,
igr2= 932, 933, 934,
&end
#
# 57 TYR HB3 58 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 932, 933, 934,
&end
#
# 58 ALA QB 59 ASP- HB3 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 932, 933, 934,
&end
#
# 39 VAL QG1 58 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 601, 602, 603,
igr2= 932, 933, 934,
&end
#
# 123 ALA QB 126 PHE HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1952, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=1922,1923,1924,
&end
#
# 119 ASP- QB 123 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1862,1863,
igr2=1922,1923,1924,
&end
#
# 78 ALA HN 78 ALA QB 3.98
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1224,1225,1226,
&end
#
# 33 PHE HD 66 ALA QB 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 509, 517,
igr2=1039,1040,1041,
&end
#
# 74 ASN HND2 78 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1162, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1224,1225,1226,
&end
#
# 74 ASN HND1 78 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1224,1225,1226,
&end
#
# 77 ASN HA 78 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1224,1225,1226,
&end
#
# 63 ALA QB 64 GLN HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 995, 996, 997,
&end
#
# 63 ALA QB 86 PHE HE 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 995, 996, 997,
igr2=1350,1354,
&end
#
# 57 TYR HD 63 ALA QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 915, 924,
igr2= 995, 996, 997,
&end
#
# 57 TYR HE 63 ALA QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 917, 922,
igr2= 995, 996, 997,
&end
#
# 63 ALA HN 63 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 995, 996, 997,
&end
#
# 60 PRO HA 63 ALA QB 4.10
&rst
ixpk= 0, nxpk= 0, iat= 960, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 995, 996, 997,
&end
#
# 57 TYR HB3 63 ALA QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 995, 996, 997,
&end
#
# 57 TYR HB2 63 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 995, 996, 997,
&end
#
# 13 LEU QD2 63 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= 165, 166, 167,
igr2= 995, 996, 997,
&end
#
# 42 ILE QG2 43 ILE HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 658, 659, 660,
&end
#
# 42 ILE HN 42 ILE QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 658, 659, 660,
&end
#
# 42 ILE QG2 44 THR HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 658, 659, 660,
&end
#
# 26 LEU HA 42 ILE QG2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 658, 659, 660,
&end
#
# 26 LEU HB3 42 ILE QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 658, 659, 660,
&end
#
# 29 LEU HB2 42 ILE QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 433, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 658, 659, 660,
&end
#
# 42 ILE QG2 55 LEU HB3 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 658, 659, 660,
&end
#
# 42 ILE QG2 42 ILE QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 658, 659, 660,
igr2= 665, 666, 667,
&end
#
# 39 VAL QG2 42 ILE QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 605, 606, 607,
igr2= 658, 659, 660,
&end
#
# 43 ILE QG2 54 LEU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 677, 678, 679,
&end
#
# 43 ILE QG2 44 THR HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 677, 678, 679,
&end
#
# 43 ILE QG2 45 PHE HD 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 677, 678, 679,
igr2= 712, 720,
&end
#
# 43 ILE QG2 44 THR HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 677, 678, 679,
&end
#
# 43 ILE QG2 101 SER HB2 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 677, 678, 679,
&end
#
# 43 ILE QG2 54 LEU HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 677, 678, 679,
&end
#
# 43 ILE QG2 43 ILE QD1 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 677, 678, 679,
igr2= 684, 685, 686,
&end
#
# 122 MET HN 122 MET QE 4.78
&rst
ixpk= 0, nxpk= 0, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1912,1913,1914,
&end
#
# 122 MET QE 126 PHE HD 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1912,1913,1914,
igr2=1956,1964,
&end
#
# 122 MET QE 126 PHE HA 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1950, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1912,1913,1914,
&end
#
# 122 MET HA 122 MET QE 5.39
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1912,1913,1914,
&end
#
# 122 MET HG3 122 MET QE 4.40
&rst
ixpk= 0, nxpk= 0, iat=1909, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1912,1913,1914,
&end
#
# 122 MET HG2 122 MET QE 4.25
&rst
ixpk= 0, nxpk= 0, iat=1908, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1912,1913,1914,
&end
#
# 118 LEU HG 122 MET QE 4.37
&rst
ixpk= 0, nxpk= 0, iat=1846, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1912,1913,1914,
&end
#
# 121 THR QG2 122 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=1893,1894,1895,
igr2=1912,1913,1914,
&end
#
# 118 LEU QD1 122 MET QE 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1848,1849,1850,
igr2=1912,1913,1914,
&end
#
# 16 ILE QG2 83 ARG+ HG2 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 220, 221, 222,
&end
#
# 32 ILE QG2 33 PHE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 488, 489, 490,
&end
#
# 32 ILE HN 32 ILE QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 488, 489, 490,
&end
#
# 32 ILE QG2 33 PHE HD 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 488, 489, 490,
igr2= 509, 517,
&end
#
# 32 ILE QG2 33 PHE HE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 488, 489, 490,
igr2= 511, 515,
&end
#
# 32 ILE QG2 33 PHE HA 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 503, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 488, 489, 490,
&end
#
# 29 LEU HA 32 ILE QG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 488, 489, 490,
&end
#
# 32 ILE HA 32 ILE QG2 3.74
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 488, 489, 490,
&end
#
# 32 ILE QG2 33 PHE HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 488, 489, 490,
&end
#
# 31 GLN HG2 32 ILE QG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= 472, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 488, 489, 490,
&end
#
# 32 ILE QG2 32 ILE HG12 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 488, 489, 490,
&end
#
# 32 ILE QG2 32 ILE QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 488, 489, 490,
igr2= 495, 496, 497,
&end
#
# 32 ILE QG2 75 ILE QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 488, 489, 490,
igr2=1172,1173,1174,
&end
#
# 32 ILE QG2 70 LEU QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 488, 489, 490,
igr2=1106,1107,1108,
&end
#
# 75 ILE QG2 76 TYR HD 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1172,1173,1174,
igr2=1193,1202,
&end
#
# 75 ILE QG2 76 TYR HE 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1172,1173,1174,
igr2=1195,1200,
&end
#
# 14 ARG+ HA 15 ILE QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 208, 209, 210,
&end
#
# 75 ILE HA 75 ILE QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1172,1173,1174,
&end
#
# 15 ILE QD1 53 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= 208, 209, 210,
igr2= 846, 847, 848,
&end
#
# 15 ILE QG2 15 ILE QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 201, 202, 203,
igr2= 208, 209, 210,
&end
#
# 15 ILE HN 15 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 208, 209, 210,
&end
#
# 13 LEU HN 15 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= 152, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 208, 209, 210,
&end
#
# 14 ARG+ HN 15 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= 171, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 208, 209, 210,
&end
#
# 15 ILE QD1 33 PHE HE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 208, 209, 210,
igr2= 511, 515,
&end
#
# 15 ILE QD1 55 LEU HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 208, 209, 210,
&end
#
# 15 ILE HA 15 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 208, 209, 210,
&end
#
# 15 ILE HB 15 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 208, 209, 210,
&end
#
# 15 ILE QD1 55 LEU HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 208, 209, 210,
&end
#
# 84 ILE HN 84 ILE QD1 4.30
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1322,1323,1324,
&end
#
# 67 LYS+ HN 84 ILE QD1 4.37
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1322,1323,1324,
&end
#
# 84 ILE HA 84 ILE QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1322,1323,1324,
&end
#
# 71 ASP- HA 84 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1322,1323,1324,
&end
#
# 71 ASP- HB3 84 ILE QD1 4.88
&rst
ixpk= 0, nxpk= 0, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1322,1323,1324,
&end
#
# 84 ILE HB 84 ILE QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1322,1323,1324,
&end
#
# 84 ILE QG2 84 ILE QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1315,1316,1317,
igr2=1322,1323,1324,
&end
#
# 43 ILE QD1 102 ARG+ HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 684, 685, 686,
&end
#
# 42 ILE HN 43 ILE QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 684, 685, 686,
&end
#
# 43 ILE QD1 101 SER HB2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1595, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 684, 685, 686,
&end
#
# 43 ILE HB 43 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 684, 685, 686,
&end
#
# 32 ILE QD1 33 PHE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 495, 496, 497,
&end
#
# 32 ILE HN 32 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 495, 496, 497,
&end
#
# 32 ILE QD1 33 PHE HD 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 495, 496, 497,
igr2= 509, 517,
&end
#
# 75 ILE QD1 76 TYR HD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1179,1180,1181,
igr2=1193,1202,
&end
#
# 32 ILE QD1 33 PHE HE 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 495, 496, 497,
igr2= 511, 515,
&end
#
# 29 LEU HA 32 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 495, 496, 497,
&end
#
# 32 ILE HA 32 ILE QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 495, 496, 497,
&end
#
# 75 ILE QD1 80 CYS HB3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1179,1180,1181,
&end
#
# 75 ILE QG2 75 ILE QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1172,1173,1174,
igr2=1179,1180,1181,
&end
#
# 32 ILE QD1 70 LEU QD1 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 495, 496, 497,
igr2=1106,1107,1108,
&end
#
# 30 HIS+ HN 42 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 665, 666, 667,
&end
#
# 27 ASP- HA 42 ILE QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 665, 666, 667,
&end
#
# 30 HIS+ QB 42 ILE QD1 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 452, 453,
igr2= 665, 666, 667,
&end
#
# 29 LEU HB3 42 ILE QD1 5.04
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 665, 666, 667,
&end
#
# 42 ILE HB 42 ILE QD1 3.52
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 665, 666, 667,
&end
#
# 39 VAL QG2 42 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= 605, 606, 607,
igr2= 665, 666, 667,
&end
#
# 42 ILE QD1 55 LEU QD2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 665, 666, 667,
igr2= 884, 885, 886,
&end
#
# 42 ILE QD1 55 LEU QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1= 665, 666, 667,
igr2= 880, 881, 882,
&end
#
# 16 ILE QD1 50 GLN HNE1 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 227, 228, 229,
&end
#
# 16 ILE HA 16 ILE QD1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 227, 228, 229,
&end
#
# 36 PHE HE 70 LEU HG 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 564, 568,
&end
#
# 16 ILE QG2 51 PHE HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 220, 221, 222,
&end
#
# 16 ILE QG2 50 GLN HNE2 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 220, 221, 222,
&end
#
# 16 ILE QG2 50 GLN HG3 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 220, 221, 222,
&end
#
# 6 MET QB 7 ALA HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 77, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 64, 65,
&end
#
# 7 ALA QB 8 GLY HN 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 87, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 81, 82, 83,
&end
#
# 100 LYS+ HB3 100 LYS+ QD 3.83
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1579,1580,
&end
#
# 12 VAL QG2 13 LEU HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 146, 147, 148,
&end
#
# 39 VAL QG2 40 LEU HN 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 605, 606, 607,
&end
#
# 14 ARG+ HA 15 ILE HA 5.29
&rst
ixpk= 0, nxpk= 0, iat= 173, 197, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 15 ILE HA 15 ILE QG2 4.20
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 201, 202, 203,
&end
#
# 15 ILE HA 82 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1279,1280,1281,
&end
#
# 15 ILE HA 16 ILE HB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 197, 218, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 15 ILE HA 85 ASP- HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 197,1328, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 ILE HN 16 ILE QD1 4.86
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 227, 228, 229,
&end
#
# 15 ILE QD1 16 ILE HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 214, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 208, 209, 210,
&end
#
# 16 ILE HB 17 VAL HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 218, 233, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 16 ILE HA 52 GLN HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= 216, 827, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 15 ILE HB 16 ILE HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 199, 216, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 15 ILE QG2 16 ILE HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 216, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 201, 202, 203,
&end
#
# 16 ILE HA 51 PHE HD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 216, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 813, 821,
&end
#
# 16 ILE HA 18 GLU- HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= 216, 249, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 ILE HN 16 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 195, 216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 VAL HB 18 GLU- HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 237, 249, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 27 ASP- HN 42 ILE QG2 5.33
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 658, 659, 660,
&end
#
# 50 GLN HB3 52 GLN HNE2 4.93
&rst
ixpk= 0, nxpk= 0, iat= 793, 838, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 18 GLU- HN 18 GLU- HG2 4.44
&rst
ixpk= 0, nxpk= 0, iat= 249, 256, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 18 GLU- HB3 19 ASN HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 254, 264, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 19 ASN HB3 20 LEU HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 269, 278, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 20 LEU HB2 21 PHE HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 282, 297, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 20 LEU HB3 21 PHE HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= 283, 297, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 19 ASN HN 20 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 264, 283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HN 21 PHE HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 297, 301, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 21 PHE HN 21 PHE HB3 4.12
&rst
ixpk= 0, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 20 LEU QD1 21 PHE HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 287, 288, 289,
&end
#
# 20 LEU HG 21 PHE HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= 285, 297, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 21 PHE HB2 22 TYR HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 301, 317, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 21 PHE HB3 22 TYR HN 3.82
&rst
ixpk= 0, nxpk= 0, iat= 302, 317, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 24 VAL HA 28 VAL HB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 354, 417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 23 PRO HB2 24 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 345, 354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 VAL HA 28 VAL QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 423, 424, 425,
&end
#
# 24 VAL QG2 25 THR HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 362, 363, 364,
&end
#
# 24 VAL HN 24 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 358, 359, 360,
&end
#
# 24 VAL HN 24 VAL QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 362, 363, 364,
&end
#
# 24 VAL HA 24 VAL QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 362, 363, 364,
&end
#
# 24 VAL HA 24 VAL QG1 3.48
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 358, 359, 360,
&end
#
# 23 PRO HB3 24 VAL HN 4.02
&rst
ixpk= 0, nxpk= 0, iat= 346, 352, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 25 THR HA 27 ASP- HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 370, 401, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 24 VAL QG2 25 THR HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 370, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 362, 363, 364,
&end
#
# 25 THR HA 29 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 438, 439, 440,
&end
#
# 26 LEU HN 26 LEU HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 382, 386, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 LEU HB2 27 ASP- HN 3.78
&rst
ixpk= 0, nxpk= 0, iat= 386, 401, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 19 ASN HN 20 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 287, 288, 289,
&end
#
# 27 ASP- HN 27 ASP- HB3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 401, 406, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 27 ASP- HA 31 GLN HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= 403, 465, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 27 ASP- HA 30 HIS+ QB 3.76
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 452, 453,
&end
#
# 28 VAL HB 29 LEU HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= 417, 431, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 29 LEU HA 29 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 442, 443, 444,
&end
#
# 31 GLN HA 34 SER HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 467, 521, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 34 SER HB3 35 LYS+ HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 526, 532, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 35 LYS+ HB2 36 PHE HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 536, 554, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 35 LYS+ HG2 36 PHE HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 539, 554, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 36 PHE HN 37 GLY HA3 5.24
&rst
ixpk= 0, nxpk= 0, iat= 554, 577, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 37 GLY HA2 57 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 924,
&end
#
# 37 GLY HA2 57 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 917, 922,
&end
#
# 37 GLY HA2 62 SER HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= 576, 985, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 37 GLY HA3 62 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 577, 985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 GLY HA3 62 SER HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 577, 984, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 37 GLY HA2 62 SER HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 576, 984, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 37 GLY HA3 38 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 587, 588, 589,
&end
#
# 37 GLY HA2 38 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 587, 588, 589,
&end
#
# 37 GLY HA2 58 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 39 VAL HA 39 VAL QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 605, 606, 607,
&end
#
# 40 LEU QD2 41 LYS+ HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 624, 625, 626,
&end
#
# 65 HIS+ HD2 66 ALA HA 4.60
&rst
ixpk= 0, nxpk= 0, iat=1031,1037, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 41 LYS+ HB2 42 ILE HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 634, 652, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 43 ILE HN 43 ILE HB 4.02
&rst
ixpk= 0, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 42 ILE QD1 43 ILE HN 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 665, 666, 667,
&end
#
# 12 VAL QG2 14 ARG+ HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 171, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 146, 147, 148,
&end
#
# 48 ASN HA 48 ASN HND1 5.09
&rst
ixpk= 0, nxpk= 0, iat= 762, 769, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 73 GLN HA 73 GLN HNE1 4.91
&rst
ixpk= 0, nxpk= 0, iat=1137,1147, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 46 THR QG2 49 ASN HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 776, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 730, 731, 732,
&end
#
# 49 ASN HB2 50 GLN HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= 778, 788, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 50 GLN HN 50 GLN HG3 3.81
&rst
ixpk= 0, nxpk= 0, iat= 788, 796, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 17 VAL HN 51 PHE HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= 233, 810, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 53 ALA QB 54 LEU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 846, 847, 848,
&end
#
# 44 THR QG2 54 LEU HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 696, 697, 698,
&end
#
# 54 LEU QD2 55 LEU HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 865, 866, 867,
&end
#
# 55 LEU HB2 56 GLN HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 875, 890, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 29 LEU QD2 55 LEU HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 442, 443, 444,
&end
#
# 39 VAL QG2 55 LEU HB3 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 605, 606, 607,
&end
#
# 55 LEU QD2 56 GLN HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 884, 885, 886,
&end
#
# 55 LEU HN 55 LEU QD1 5.37
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 880, 881, 882,
&end
#
# 41 LYS+ HN 55 LEU QD2 5.38
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 884, 885, 886,
&end
#
# 33 PHE HE 55 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 511, 515,
igr2= 884, 885, 886,
&end
#
# 43 ILE HN 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 884, 885, 886,
&end
#
# 55 LEU QD2 57 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 884, 885, 886,
igr2= 917, 922,
&end
#
# 109 LEU HA 109 LEU QD2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1725, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1736,1737,1738,
&end
#
# 12 VAL QG2 56 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 146, 147, 148,
&end
#
# 57 TYR HA 59 ASP- HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= 909, 938, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 59 ASP- HN 59 ASP- HB2 3.88
&rst
ixpk= 0, nxpk= 0, iat= 938, 942, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 64 GLN HN 64 GLN HG2 3.62
&rst
ixpk= 0, nxpk= 0, iat=1001,1008, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 68 LEU HN 68 LEU HB2 3.90
&rst
ixpk= 0, nxpk= 0, iat=1067,1071, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 67 LYS+ HB3 68 LEU HN 4.96
&rst
ixpk= 0, nxpk= 0, iat=1050,1067, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 68 LEU HB2 69 SER HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1071,1086, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 68 LEU HA 68 LEU QD1 3.06
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1076,1077,1078,
&end
#
# 68 LEU HA 68 LEU QD2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1069, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1080,1081,1082,
&end
#
# 69 SER HB3 70 LEU HN 3.91
&rst
ixpk= 0, nxpk= 0, iat=1091,1097, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 70 LEU HN 70 LEU HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat=1097,1102, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 70 LEU QD2 71 ASP- HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1110,1111,1112,
&end
#
# 67 LYS+ HN 68 LEU QD2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1080,1081,1082,
&end
#
# 70 LEU HN 70 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat=1097,1104, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 73 GLN HG3 74 ASN HN 4.09
&rst
ixpk= 0, nxpk= 0, iat=1143,1152, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 74 ASN HB2 75 ILE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=1156,1166, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 75 ILE HN 75 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1179,1180,1181,
&end
#
# 75 ILE HN 75 ILE QG2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1166, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1172,1173,1174,
&end
#
# 75 ILE HN 75 ILE HG12 4.80
&rst
ixpk= 0, nxpk= 0, iat=1166,1176, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 75 ILE QG2 76 TYR HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1172,1173,1174,
&end
#
# 75 ILE QD1 76 TYR HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1179,1180,1181,
&end
#
# 77 ASN HN 77 ASN HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=1206,1211, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 78 ALA QB 79 CYS HN 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1230, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1224,1225,1226,
&end
#
# 79 CYS HB3 80 CYS HN 4.41
&rst
ixpk= 0, nxpk= 0, iat=1235,1241, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 79 CYS HB2 80 CYS HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1234,1241, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 74 ASN HB3 80 CYS HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=1157,1241, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 74 ASN HB2 80 CYS HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1156,1241, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 61 VAL QG1 65 HIS+ HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 970, 971, 972,
&end
#
# 81 THR QG2 82 LEU HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1258,1259,1260,
&end
#
# 81 THR HB 82 LEU HN 5.07
&rst
ixpk= 0, nxpk= 0, iat=1256,1266, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 82 LEU HB3 83 ARG+ HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1271,1285, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 82 LEU HB3 82 LEU QD2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1279,1280,1281,
&end
#
# 83 ARG+ HG2 84 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1292,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ARG+ HG3 84 ILE HN 5.20
&rst
ixpk= 0, nxpk= 0, iat=1293,1309, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 83 ARG+ HN 83 ARG+ HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat=1285,1293, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 84 ILE HN 84 ILE QG2 4.18
&rst
ixpk= 0, nxpk= 0, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1315,1316,1317,
&end
#
# 85 ASP- HA 86 PHE HD 5.02
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1348,1356,
&end
#
# 84 ILE QD1 85 ASP- HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1322,1323,1324,
&end
#
# 14 ARG+ HN 86 PHE HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= 171,1342, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 86 PHE HA 86 PHE HD 4.44
&rst
ixpk= 0, nxpk= 0, iat=1342, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1348,1356,
&end
#
# 13 LEU QD2 86 PHE HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 165, 166, 167,
&end
#
# 86 PHE HB3 87 SER HN 4.79
&rst
ixpk= 0, nxpk= 0, iat=1345,1360, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 86 PHE HB2 87 SER HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=1344,1360, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 89 LEU HA 90 THR HN 3.57
&rst
ixpk= 0, nxpk= 0, iat=1395,1412, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 89 LEU HN 89 LEU QD2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1406,1407,1408,
&end
#
# 92 LEU QQD 93 ASN HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1443,1456, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 92 LEU HN 92 LEU HG 3.72
&rst
ixpk= 0, nxpk= 0, iat=1437,1444, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 99 ASP- HN 99 ASP- QB 3.90
&rst
ixpk= 0, nxpk= 0, iat=1557, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1561,1562,
&end
#
# 100 LYS+ HN 100 LYS+ QD 5.12
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1579,1580,
&end
#
# 26 LEU HG 102 ARG+ HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 389,1602, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 102 ARG+ HN 102 ARG+ QD 4.31
&rst
ixpk= 0, nxpk= 0, iat=1602, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1612,1613,
&end
#
# 102 ARG+ HG2 103 ASP- HN 4.90
&rst
ixpk= 0, nxpk= 0, iat=1609,1626, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 102 ARG+ HN 102 ARG+ HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat=1602,1609, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 102 ARG+ HN 102 ARG+ HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1602,1610, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 15 ILE HB 53 ALA HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 199, 842, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 103 ASP- HB3 104 TYR HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=1631,1638, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 106 ARG+ HN 107 PRO HD3 4.75
&rst
ixpk= 0, nxpk= 0, iat=1673,1699, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 106 ARG+ HN 107 PRO HD2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1673,1698, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 106 ARG+ HN 106 ARG+ HG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1673,1680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 ARG+ HA 106 ARG+ HG2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1675,1680, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 106 ARG+ HN 106 ARG+ HD3 4.72
&rst
ixpk= 0, nxpk= 0, iat=1673,1684, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 106 ARG+ HA 106 ARG+ HD2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1675,1683, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 106 ARG+ HN 106 ARG+ HD2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1673,1683, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 108 ASP- HN 108 ASP- HB3 3.75
&rst
ixpk= 0, nxpk= 0, iat=1711,1716, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 107 PRO HG3 108 ASP- HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1702,1711, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 108 ASP- HB3 109 LEU HN 4.43
&rst
ixpk= 0, nxpk= 0, iat=1716,1723, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 109 LEU HN 110 PRO HD2 4.55
&rst
ixpk= 0, nxpk= 0, iat=1723,1743, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 109 LEU HN 110 PRO HD3 4.87
&rst
ixpk= 0, nxpk= 0, iat=1723,1744, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 110 PRO HB3 111 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1750,1758, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 LEU QD1 111 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1758, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1732,1733,1734,
&end
#
# 116 PRO HD2 117 SER HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1815,1828, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 117 SER HB3 118 LEU HN 3.71
&rst
ixpk= 0, nxpk= 0, iat=1833,1839, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 118 LEU HN 118 LEU HG 3.85
&rst
ixpk= 0, nxpk= 0, iat=1839,1846, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 118 LEU HN 118 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1848,1849,1850,
&end
#
# 118 LEU HA 122 MET HN 3.11
&rst
ixpk= 0, nxpk= 0, iat=1841,1901, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 118 LEU QB 119 ASP- HN 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1843,1844,
&end
#
# 118 LEU HG 122 MET HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=1846,1901, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 118 LEU QD1 122 MET HN 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1901, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1848,1849,1850,
&end
#
# 120 GLN QG 121 THR HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1877,1878,
&end
#
# 30 HIS+ HA 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 884, 885, 886,
&end
#
# 26 LEU HN 26 LEU QD1 3.99
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 391, 392, 393,
&end
#
# 26 LEU HA 26 LEU QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 391, 392, 393,
&end
#
# 58 ALA QB 60 PRO HD2 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 951, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 932, 933, 934,
&end
#
# 60 PRO HD2 63 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 995, 996, 997,
&end
#
# 60 PRO HD3 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 60 PRO HA 64 GLN HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 960,1001, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 15 ILE HG13 33 PHE HE 5.48
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 511, 515,
&end
#
# 15 ILE HG12 33 PHE HE 5.16
&rst
ixpk= 0, nxpk= 0, iat= 205, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 511, 515,
&end
#
# 15 ILE HN 15 ILE HG12 5.34
&rst
ixpk= 0, nxpk= 0, iat= 195, 205, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 106 ARG+ HD3 107 PRO HD2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1684,1698, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 11 PRO HD2 12 VAL HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= 123, 136, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 11 PRO HD2 12 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 123, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 142, 143, 144,
&end
#
# 11 PRO HD3 12 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 142, 143, 144,
&end
#
# 19 ASN HB3 20 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 287, 288, 289,
&end
#
# 18 GLU- HA 19 ASN HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat= 251, 269, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 77 ASN HB2 79 CYS HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1210,1230, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 77 ASN HB3 79 CYS HN 4.42
&rst
ixpk= 0, nxpk= 0, iat=1211,1230, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 97 ASN HB2 109 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1533,1727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HB3 109 LEU HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1534,1727, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 97 ASN HB3 109 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1534,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HB2 109 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1533, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1732,1733,1734,
&end
#
# 97 ASN HB3 109 LEU QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1732,1733,1734,
&end
#
# 31 GLN HG3 31 GLN HNE2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 473, 478, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 64 GLN HG2 64 GLN HNE2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1008,1014, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 64 GLN HG2 64 GLN HNE1 4.09
&rst
ixpk= 0, nxpk= 0, iat=1008,1013, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 64 GLN HG2 86 PHE HE 4.13
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1350,1354,
&end
#
# 73 GLN HG3 73 GLN HNE1 3.78
&rst
ixpk= 0, nxpk= 0, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 120 GLN QG 120 GLN HNE2 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1877,1878,
&end
#
# 120 GLN QG 120 GLN HNE1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1877,1878,
&end
#
# 108 ASP- HB2 109 LEU HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat=1715,1728, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 96 TYR QB 98 ASN QD2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
igr1=1512,1513,
igr2=1552,1553,
&end
#
# 126 PHE HB2 127 GLY HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=1952,1968, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 116 PRO HB3 122 MET HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1822,1909, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 107 PRO HB3 108 ASP- HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1705,1715, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 116 PRO HB2 122 MET HG3 4.80
&rst
ixpk= 0, nxpk= 0, iat=1821,1909, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 88 LYS+ QB 89 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1375,1376,
&end
#
# 88 LYS+ QE 89 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1384,1385,
&end
#
# 118 LEU QD2 122 MET QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1852,1853,1854,
igr2=1905,1906,
&end
#
# 83 ARG+ HN 83 ARG+ QD 5.07
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1295,1296,
&end
#
# 14 ARG+ QD 15 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 181, 182,
&end
#
# 26 LEU HA 26 LEU HG 4.18
&rst
ixpk= 0, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 39 VAL HN 40 LEU HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 595, 611, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 39 VAL HN 57 TYR HE 5.47
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 917, 922,
&end
#
# 39 VAL HN 57 TYR HA 5.33
&rst
ixpk= 0, nxpk= 0, iat= 595, 909, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 34 SER HA 39 VAL HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 523, 595, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 38 THR HB 39 VAL HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 585, 595, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 39 VAL HN 39 VAL HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 15 ILE HN 53 ALA HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 195, 842, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 14 ARG+ HB2 15 ILE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 175, 195, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 15 ILE HN 54 LEU HG 5.06
&rst
ixpk= 0, nxpk= 0, iat= 195, 859, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 15 ILE HN 15 ILE HG13 4.99
&rst
ixpk= 0, nxpk= 0, iat= 195, 206, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 15 ILE HN 53 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 846, 847, 848,
&end
#
# 15 ILE HN 15 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 201, 202, 203,
&end
#
# 16 ILE HN 83 ARG+ HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 214,1285, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 16 ILE HN 84 ILE HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 214,1309, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 16 ILE HN 52 GLN HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 214, 827, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 16 ILE HN 82 LEU HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 214,1268, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 16 ILE HN 83 ARG+ HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= 214,1290, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 16 ILE HN 83 ARG+ HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat= 214,1289, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 15 ILE HB 16 ILE HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 199, 214, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 16 ILE HN 83 ARG+ HG2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 214,1292, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 15 ILE HG13 16 ILE HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 206, 214, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 16 ILE HN 16 ILE QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 220, 221, 222,
&end
#
# 51 PHE HN 52 GLN HN 4.82
&rst
ixpk= 0, nxpk= 0, iat= 805, 825, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 51 PHE HN 51 PHE HD 4.96
&rst
ixpk= 0, nxpk= 0, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 813, 821,
&end
#
# 51 PHE HN 52 GLN HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 805, 827, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 50 GLN HB3 51 PHE HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 793, 805, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 46 THR QG2 51 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 730, 731, 732,
&end
#
# 13 LEU HN 57 TYR HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 152, 907, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 57 TYR HN 57 TYR HD 4.82
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 915, 924,
&end
#
# 56 GLN HG3 57 TYR HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= 898, 907, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 56 GLN HG2 57 TYR HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 897, 907, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 56 GLN HB2 57 TYR HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 894, 907, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 57 TYR HN 63 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 995, 996, 997,
&end
#
# 57 TYR HN 58 ALA QB 5.49
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 932, 933, 934,
&end
#
# 12 VAL QG2 57 TYR HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 146, 147, 148,
&end
#
# 95 LYS+ HN 96 TYR HD 7.00
&rst
ixpk= 0, nxpk= 0, iat=1486, -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
igr2=1516,1525,
&end
#
# 95 LYS+ HN 95 LYS+ HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1486,1490, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 55 LEU HN 56 GLN HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 871, 890, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 56 GLN HN 56 GLN HG2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 890, 897, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 41 LYS+ HB2 56 GLN HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 634, 890, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 40 LEU HB2 56 GLN HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 615, 890, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 55 LEU HB3 56 GLN HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 876, 890, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 42 ILE QD1 56 GLN HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 665, 666, 667,
&end
#
# 47 LYS+ HN 52 GLN HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= 738, 825, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 51 PHE HD 52 GLN HN 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 813, 821,
&end
#
# 52 GLN HN 52 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 PHE HD 52 GLN HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 712, 720,
&end
#
# 51 PHE HB3 52 GLN HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 810, 825, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 51 PHE HB2 52 GLN HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 809, 825, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 46 THR QG2 52 GLN HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 730, 731, 732,
&end
#
# 40 LEU HN 57 TYR HD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 915, 924,
&end
#
# 40 LEU HN 57 TYR HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 611, 909, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 18 GLU- HN 19 ASN HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 249, 264, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 18 GLU- HN 20 LEU HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 249, 278, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 18 GLU- HN 18 GLU- HG3 4.34
&rst
ixpk= 0, nxpk= 0, iat= 249, 257, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 18 GLU- HN 20 LEU HG 5.26
&rst
ixpk= 0, nxpk= 0, iat= 249, 285, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 17 VAL QG1 18 GLU- HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 239, 240, 241,
&end
#
# 16 ILE HN 85 ASP- HN 4.94
&rst
ixpk= 0, nxpk= 0, iat= 214,1328, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 14 ARG+ HA 85 ASP- HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= 173,1328, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 14 ARG+ HB2 85 ASP- HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 175,1328, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 84 ILE HB 85 ASP- HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1313,1328, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 15 ILE HG13 85 ASP- HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 206,1328, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 84 ILE HG12 85 ASP- HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=1319,1328, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 84 ILE QG2 85 ASP- HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1315,1316,1317,
&end
#
# 84 ILE QD1 85 ASP- HN 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1322,1323,1324,
&end
#
# 94 VAL HN 94 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1470, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1476,1477,1478,
&end
#
# 6 MET HA 7 ALA HN 3.10
&rst
ixpk= 0, nxpk= 0, iat= 62, 77, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 47 LYS+ HN 47 LYS+ QG 4.85
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 745, 746,
&end
#
# 7 ALA HN 7 ALA QB 3.39
&rst
ixpk= 0, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 81, 82, 83,
&end
#
# 42 ILE HN 43 ILE HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 652, 671, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 43 ILE HN 44 THR HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 671, 690, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 103 ASP- HN 104 TYR HD 5.43
&rst
ixpk= 0, nxpk= 0, iat=1626, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1646,1655,
&end
#
# 43 ILE HN 44 THR HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= 671, 692, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 103 ASP- HN 106 ARG+ HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat=1626,1678, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 43 ILE HN 54 LEU HB3 4.43
&rst
ixpk= 0, nxpk= 0, iat= 671, 857, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 43 ILE HN 54 LEU HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat= 671, 856, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 43 ILE HN 55 LEU HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= 671, 875, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 13 LEU HN 14 ARG+ HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 152, 171, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 12 VAL HN 13 LEU HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 136, 152, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 12 VAL HB 13 LEU HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 140, 152, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 13 LEU HN 55 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 152, 875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ASP- HA 84 ILE HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1118,1309, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 71 ASP- HB3 84 ILE HN 5.29
&rst
ixpk= 0, nxpk= 0, iat=1121,1309, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 84 ILE HN 84 ILE HG12 5.07
&rst
ixpk= 0, nxpk= 0, iat=1309,1319, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 17 VAL HN 18 GLU- HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= 233, 249, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 17 VAL HN 51 PHE HD 4.91
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 813, 821,
&end
#
# 17 VAL HN 52 GLN HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= 233, 827, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 17 VAL HN 18 GLU- HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 233, 257, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 17 VAL HN 52 GLN QG 4.90
&rst
ixpk= 0, nxpk= 0, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 832, 833,
&end
#
# 16 ILE QG2 17 VAL HN 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 220, 221, 222,
&end
#
# 88 LYS+ HN 89 LEU HN 4.95
&rst
ixpk= 0, nxpk= 0, iat=1371,1393, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 87 SER HB2 88 LYS+ HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1364,1371, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 118 LEU HN 120 GLN HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1839,1870, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 118 LEU HN 123 ALA HN 5.25
&rst
ixpk= 0, nxpk= 0, iat=1839,1918, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 117 SER HB2 118 LEU HN 3.82
&rst
ixpk= 0, nxpk= 0, iat=1832,1839, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 118 LEU HN 119 ASP- QB 5.32
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1862,1863,
&end
#
# 18 GLU- HG3 20 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 257, 278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 LEU HN 122 MET QB 4.87
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1905,1906,
&end
#
# 118 LEU HN 118 LEU QB 3.08
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1843,1844,
&end
#
# 13 LEU HN 55 LEU HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 152, 871, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 54 LEU HN 55 LEU HN 4.87
&rst
ixpk= 0, nxpk= 0, iat= 852, 871, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 14 ARG+ HA 55 LEU HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= 173, 871, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 55 LEU HN 56 GLN HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= 871, 892, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 55 LEU HN 56 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 871, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LEU HG 55 LEU HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 859, 871, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 54 LEU HB3 55 LEU HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 857, 871, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 15 ILE HG13 55 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 LEU HB2 55 LEU HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 856, 871, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 55 LEU HN 55 LEU HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat= 871, 875, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 12 VAL QG2 55 LEU HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 146, 147, 148,
&end
#
# 15 ILE QD1 55 LEU HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 208, 209, 210,
&end
#
# 42 ILE HN 104 TYR HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 652,1638, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 104 TYR HN 104 TYR HD 4.48
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1646,1655,
&end
#
# 104 TYR HN 104 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1648,1653,
&end
#
# 104 TYR HE 30 HIS+ HD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1648,1653,
&end
#
# 104 TYR HE 42 ILE QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1648,1653,
igr2= 665, 666, 667,
&end
#
# 104 TYR HE 42 ILE QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1648,1653,
igr2= 658, 659, 660,
&end
#
# 104 TYR HE 42 ILE HB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1648,1653,
&end
#
# 104 TYR HE 39 VAL QQG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1648,1653,
&end
#
# 104 TYR HE 26 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1648,1653,
&end
#
# 104 TYR HE 102 ARG+ QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1648,1653,
igr2=1612,1613,
&end
#
# 41 LYS+ HA 104 TYR HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= 632,1638, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 41 LYS+ HB2 104 TYR HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 634,1638, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 104 TYR HN 106 ARG+ HB2 5.08
&rst
ixpk= 0, nxpk= 0, iat=1638,1677, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 98 ASN HN 101 SER HN 4.84
&rst
ixpk= 0, nxpk= 0, iat=1543,1591, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 97 ASN HB3 98 ASN HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1534,1543, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 97 ASN HB2 98 ASN HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1533,1543, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 17 VAL HA 83 ARG+ HN 4.89
&rst
ixpk= 0, nxpk= 0, iat= 235,1285, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 16 ILE HB 83 ARG+ HN 4.58
&rst
ixpk= 0, nxpk= 0, iat= 218,1285, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 82 LEU QD2 83 ARG+ HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1279,1280,1281,
&end
#
# 15 ILE QG2 83 ARG+ HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 201, 202, 203,
&end
#
# 78 ALA HN 79 CYS HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1220,1230, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 74 ASN HND1 78 ALA HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=1161,1220, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 123 ALA HN 124 ALA HN 3.65
&rst
ixpk= 0, nxpk= 0, iat=1918,1928, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 118 LEU HA 123 ALA HN 3.69
&rst
ixpk= 0, nxpk= 0, iat=1841,1918, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 121 THR HB 123 ALA HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=1891,1918, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 122 MET HG3 123 ALA HN 4.85
&rst
ixpk= 0, nxpk= 0, iat=1909,1918, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 122 MET HG2 123 ALA HN 5.01
&rst
ixpk= 0, nxpk= 0, iat=1908,1918, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 122 MET QB 123 ALA HN 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1905,1906,
&end
#
# 118 LEU QB 123 ALA HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1843,1844,
&end
#
# 118 LEU QD1 123 ALA HN 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1848,1849,1850,
&end
#
# 65 HIS+ HN 66 ALA HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1018,1035, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 66 ALA HN 67 LYS+ HN 4.02
&rst
ixpk= 0, nxpk= 0, iat=1035,1045, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 GLN HN 66 ALA HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1001,1035, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 66 ALA HN 69 SER HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=1035,1086, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 65 HIS+ HD2 66 ALA HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1031,1035, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 36 PHE HE 66 ALA HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 564, 568,
&end
#
# 36 PHE HD 66 ALA HN 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 562, 570,
&end
#
# 64 GLN HA 66 ALA HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=1003,1035, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 63 ALA HA 66 ALA HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 993,1035, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 66 ALA HN 67 LYS+ HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1035,1047, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 65 HIS+ QB 66 ALA HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1022,1023,
&end
#
# 64 GLN QB 66 ALA HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1035, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1005,1006,
&end
#
# 66 ALA HN 68 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1035,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ALA HN 68 LEU QD2 5.47
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2=1080,1081,1082,
&end
#
# 66 ALA HN 70 LEU QD1 5.41
&rst
ixpk= 0, nxpk= 0, iat=1035, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1106,1107,1108,
&end
#
# 14 ARG+ HN 87 SER HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 171,1360, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 14 ARG+ HN 85 ASP- HB2 5.35
&rst
ixpk= 0, nxpk= 0, iat= 171,1332, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 13 LEU HB3 14 ARG+ HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 157, 171, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 14 ARG+ HN 15 ILE HG13 5.17
&rst
ixpk= 0, nxpk= 0, iat= 171, 206, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 114 SER HA 115 GLN HN 3.28
&rst
ixpk= 0, nxpk= 0, iat=1788,1797, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 114 SER QB 115 GLN HN 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1797, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1790,1791,
&end
#
# 115 GLN HN 115 GLN QG 3.94
&rst
ixpk= 0, nxpk= 0, iat=1797, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1804,1805,
&end
#
# 115 GLN HN 115 GLN HB2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1797,1801, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 122 MET HN 123 ALA HN 3.39
&rst
ixpk= 0, nxpk= 0, iat=1901,1918, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 122 MET HN 126 PHE HN 5.07
&rst
ixpk= 0, nxpk= 0, iat=1901,1948, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 117 SER HA 122 MET HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1830,1901, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 122 MET HN 122 MET HG2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1901,1908, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 122 MET HN 122 MET QB 3.20
&rst
ixpk= 0, nxpk= 0, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1905,1906,
&end
#
# 122 MET HN 123 ALA QB 4.72
&rst
ixpk= 0, nxpk= 0, iat=1901, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1922,1923,1924,
&end
#
# 23 PRO HA 26 LEU HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 348, 382, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 26 LEU HN 26 LEU QD2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 395, 396, 397,
&end
#
# 26 LEU HN 28 VAL HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 382, 413, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 28 VAL HN 31 GLN HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 413, 465, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 28 VAL HN 29 LEU HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 413, 429, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 25 THR HN 28 VAL HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 368, 413, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 28 VAL HN 29 LEU HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 413, 431, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 24 VAL HA 28 VAL HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 354, 413, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 26 LEU HA 28 VAL HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 384, 413, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 27 ASP- HB2 28 VAL HN 4.35
&rst
ixpk= 0, nxpk= 0, iat= 405, 413, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 28 VAL HN 28 VAL HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 413, 417, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 26 LEU HB3 28 VAL HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= 387, 413, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 28 VAL HN 29 LEU QD1 4.85
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 438, 439, 440,
&end
#
# 30 HIS+ HN 31 GLN HN 4.54
&rst
ixpk= 0, nxpk= 0, iat= 448, 465, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 31 GLN HN 34 SER HN 4.67
&rst
ixpk= 0, nxpk= 0, iat= 465, 521, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 31 GLN HN 32 ILE HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= 465, 482, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 29 LEU HN 31 GLN HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 429, 465, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 28 VAL HA 31 GLN HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 415, 465, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 31 GLN HN 31 GLN HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 31 GLN HN 32 ILE HB 5.20
&rst
ixpk= 0, nxpk= 0, iat= 465, 486, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 28 VAL QG2 31 GLN HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 423, 424, 425,
&end
#
# 12 VAL HN 56 GLN HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 136, 892, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 45 PHE HE 54 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 714, 718,
&end
#
# 42 ILE HA 54 LEU HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 654, 852, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 54 LEU HN 54 LEU HG 4.58
&rst
ixpk= 0, nxpk= 0, iat= 852, 859, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 61 VAL HN 62 SER HN 3.79
&rst
ixpk= 0, nxpk= 0, iat= 964, 980, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 59 ASP- HA 61 VAL HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= 940, 964, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 60 PRO HD3 61 VAL HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= 952, 964, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 60 PRO HD2 61 VAL HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= 951, 964, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 61 VAL HN 62 SER HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat= 964, 985, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 61 VAL HN 64 GLN QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1005,1006,
&end
#
# 60 PRO HG3 61 VAL HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 61 VAL HN 61 VAL HB 3.35
&rst
ixpk= 0, nxpk= 0, iat= 964, 968, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 61 VAL HN 63 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 995, 996, 997,
&end
#
# 120 GLN HN 121 THR HN 3.68
&rst
ixpk= 0, nxpk= 0, iat=1870,1887, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 118 LEU HA 120 GLN HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=1841,1870, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 119 ASP- QB 120 GLN HN 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1862,1863,
&end
#
# 120 GLN HN 120 GLN HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1870,1874, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 118 LEU QB 120 GLN HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1843,1844,
&end
#
# 119 ASP- HN 123 ALA HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1858,1918, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 118 LEU QD1 119 ASP- HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1858, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1848,1849,1850,
&end
#
# 42 ILE HN 102 ARG+ HN 4.96
&rst
ixpk= 0, nxpk= 0, iat= 652,1602, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 101 SER HB2 102 ARG+ HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1595,1602, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 44 THR QG2 102 ARG+ HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 696, 697, 698,
&end
#
# 43 ILE QG2 102 ARG+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 677, 678, 679,
&end
#
# 26 LEU QD2 102 ARG+ HN 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1602, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 395, 396, 397,
&end
#
# 80 CYS HN 81 THR HN 4.83
&rst
ixpk= 0, nxpk= 0, iat=1241,1252, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 18 GLU- HA 81 THR HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 251,1252, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 19 ASN HB3 81 THR HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= 269,1252, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 74 ASN HB2 81 THR HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1156,1252, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 56 GLN HNE2 92 LEU HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 903,1437, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 56 GLN HNE1 92 LEU HN 4.98
&rst
ixpk= 0, nxpk= 0, iat= 902,1437, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 91 SER QB 92 LEU HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1430,1431,
&end
#
# 92 LEU HN 92 LEU QQD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1437,1443, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 74 ASN HN 75 ILE HN 5.19
&rst
ixpk= 0, nxpk= 0, iat=1152,1166, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 74 ASN HN 74 ASN HND2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1152,1162, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 74 ASN HN 74 ASN HND1 4.93
&rst
ixpk= 0, nxpk= 0, iat=1152,1161, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 73 GLN HB3 74 ASN HN 3.90
&rst
ixpk= 0, nxpk= 0, iat=1140,1152, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 74 ASN HN 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1152, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1258,1259,1260,
&end
#
# 74 ASN HN 75 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1152,1176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 GLY HN 113 ASP- HN 4.16
&rst
ixpk= 0, nxpk= 0, iat=1767,1774, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 96 TYR HD 113 ASP- HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1516,1525,
&end
#
# 96 TYR HE 113 ASP- HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1774, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1518,1523,
&end
#
# 112 GLY HA2 113 ASP- HN 3.62
&rst
ixpk= 0, nxpk= 0, iat=1769,1774, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 113 ASP- HN 113 ASP- HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat=1774,1778, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 97 ASN HN 97 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1529,1539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 TYR HN 97 ASN HN 5.24
&rst
ixpk= 0, nxpk= 0, iat=1508,1529, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 96 TYR HD 97 ASN HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1516,1525,
&end
#
# 97 ASN HN 97 ASN HND1 5.47
&rst
ixpk= 0, nxpk= 0, iat=1529,1538, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 96 TYR HB2 97 ASN HN 4.73
&rst
ixpk= 0, nxpk= 0, iat=1512,1529, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 40 LEU HN 58 ALA HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 611, 928, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 57 TYR HN 58 ALA HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 907, 928, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 57 TYR HD 58 ALA HN 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 915, 924,
&end
#
# 40 LEU HA 58 ALA HN 5.42
&rst
ixpk= 0, nxpk= 0, iat= 613, 928, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 38 THR HB 58 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 585, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 VAL HA 58 ALA HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= 597, 928, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 57 TYR HB3 58 ALA HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 912, 928, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 57 TYR HB2 58 ALA HN 4.49
&rst
ixpk= 0, nxpk= 0, iat= 911, 928, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 40 LEU QD1 58 ALA HN 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 620, 621, 622,
&end
#
# 39 VAL QG1 58 ALA HN 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 601, 602, 603,
&end
#
# 85 ASP- HN 86 PHE HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1328,1340, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 86 PHE HN 87 SER HN 4.64
&rst
ixpk= 0, nxpk= 0, iat=1340,1360, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 86 PHE HN 86 PHE HD 4.16
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1348,1356,
&end
#
# 42 ILE HN 103 ASP- HA 4.45
&rst
ixpk= 0, nxpk= 0, iat= 652,1628, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 85 ASP- HA 86 PHE HN 3.52
&rst
ixpk= 0, nxpk= 0, iat=1330,1340, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 86 PHE HN 86 PHE HB2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1340,1344, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 85 ASP- HB2 86 PHE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat=1332,1340, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 41 LYS+ HB3 42 ILE HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= 635, 652, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 42 ILE HN 42 ILE HB 4.11
&rst
ixpk= 0, nxpk= 0, iat= 652, 656, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 42 ILE HN 42 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 665, 666, 667,
&end
#
# 72 GLY HN 73 GLN HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1128,1135, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 73 GLN HN 74 ASN HN 4.44
&rst
ixpk= 0, nxpk= 0, iat=1135,1152, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 73 GLN HN 73 GLN HNE2 5.31
&rst
ixpk= 0, nxpk= 0, iat=1135,1148, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 73 GLN HN 74 ASN HA 5.40
&rst
ixpk= 0, nxpk= 0, iat=1135,1154, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 73 GLN HN 73 GLN HG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1135,1142, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 9 GLN HN 10 SER HN 3.63
&rst
ixpk= 0, nxpk= 0, iat= 94, 111, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 9 GLN HN 86 PHE HE 5.01
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1350,1354,
&end
#
# 9 GLN HN 86 PHE HZ 5.04
&rst
ixpk= 0, nxpk= 0, iat= 94,1352, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 9 GLN HN 9 GLN HNE2 4.88
&rst
ixpk= 0, nxpk= 0, iat= 94, 107, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 9 GLN HN 10 SER HA 5.12
&rst
ixpk= 0, nxpk= 0, iat= 94, 113, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 9 GLN HN 10 SER HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= 94, 115, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 8 GLY QA 9 GLN HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 94, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1= 89, 90,
&end
#
# 9 GLN HN 64 GLN HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 94,1009, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 9 GLN HN 64 GLN QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1005,1006,
&end
#
# 9 GLN HN 60 PRO HG3 4.87
&rst
ixpk= 0, nxpk= 0, iat= 94, 955, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 9 GLN HN 9 GLN QG 3.58
&rst
ixpk= 0, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 101, 102,
&end
#
# 71 ASP- HN 84 ILE HN 5.36
&rst
ixpk= 0, nxpk= 0, iat=1116,1309, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 70 LEU HN 71 ASP- HN 4.13
&rst
ixpk= 0, nxpk= 0, iat=1097,1116, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 67 LYS+ HA 71 ASP- HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=1047,1116, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 71 ASP- HN 71 ASP- HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat=1116,1121, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 71 ASP- HN 71 ASP- HB2 4.03
&rst
ixpk= 0, nxpk= 0, iat=1116,1120, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 68 LEU HB3 71 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1072,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 LEU HB3 71 ASP- HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1102,1116, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 70 LEU HG 71 ASP- HN 4.62
&rst
ixpk= 0, nxpk= 0, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 71 ASP- HN 84 ILE QD1 4.44
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1322,1323,1324,
&end
#
# 70 LEU QD1 71 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1106,1107,1108,
&end
#
# 18 GLU- HG3 19 ASN HN 4.60
&rst
ixpk= 0, nxpk= 0, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 18 GLU- HB2 19 ASN HN 4.39
&rst
ixpk= 0, nxpk= 0, iat= 253, 264, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 19 ASN HN 20 LEU HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 264, 282, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 28 VAL HN 30 HIS+ HN 5.39
&rst
ixpk= 0, nxpk= 0, iat= 413, 448, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 27 ASP- HA 30 HIS+ HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= 403, 448, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 26 LEU HA 30 HIS+ HN 5.31
&rst
ixpk= 0, nxpk= 0, iat= 384, 448, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 27 ASP- HB3 30 HIS+ HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 406, 448, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 29 LEU HB3 30 HIS+ HN 5.02
&rst
ixpk= 0, nxpk= 0, iat= 434, 448, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 29 LEU QD2 30 HIS+ HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 442, 443, 444,
&end
#
# 98 ASN HN 100 LYS+ HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1543,1569, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 100 LYS+ HN 100 LYS+ QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1582,1583,
&end
#
# 51 PHE HD 53 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 813, 821,
&end
#
# 52 GLN QG 53 ALA HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 832, 833,
&end
#
# 52 GLN HB2 53 ALA HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 829, 842, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 15 ILE QG2 53 ALA HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 201, 202, 203,
&end
#
# 21 PHE HN 22 TYR HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 297, 317, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 22 TYR HN 22 TYR HD 5.02
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 325, 334,
&end
#
# 22 TYR HN 22 TYR HE 5.17
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 327, 332,
&end
#
# 20 LEU HA 22 TYR HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 280, 317, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 20 LEU QD1 22 TYR HN 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 287, 288, 289,
&end
#
# 50 GLN HN 51 PHE HN 4.68
&rst
ixpk= 0, nxpk= 0, iat= 788, 805, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 49 ASN HN 50 GLN HN 4.08
&rst
ixpk= 0, nxpk= 0, iat= 774, 788, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 27 ASP- HN 29 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 401, 429, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 57 TYR HD 62 SER HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 915, 924,
&end
#
# 49 ASN HB3 50 GLN HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 779, 788, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 29 LEU HN 29 LEU HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat= 429, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 50 GLN HN 50 GLN HB3 3.60
&rst
ixpk= 0, nxpk= 0, iat= 788, 793, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 50 GLN HN 50 GLN HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= 788, 792, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 47 LYS+ QB 50 GLN HN 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 742, 743,
&end
#
# 28 VAL QG2 29 LEU HN 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 423, 424, 425,
&end
#
# 29 LEU HN 29 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 442, 443, 444,
&end
#
# 30 HIS+ HN 32 ILE HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 448, 482, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 32 ILE HN 33 PHE HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= 482, 501, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 32 ILE HN 34 SER HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 482, 521, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 32 ILE HN 33 PHE HD 5.11
&rst
ixpk= 0, nxpk= 0, iat= 482, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 509, 517,
&end
#
# 29 LEU HN 32 ILE HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 429, 482, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 32 ILE HN 33 PHE HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= 482, 503, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 29 LEU HA 32 ILE HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 431, 482, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 31 GLN HB3 32 ILE HN 4.26
&rst
ixpk= 0, nxpk= 0, iat= 470, 482, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 32 ILE HN 32 ILE HB 3.97
&rst
ixpk= 0, nxpk= 0, iat= 482, 486, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 77 ASN HN 78 ALA HN 4.85
&rst
ixpk= 0, nxpk= 0, iat=1206,1220, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 74 ASN HND2 77 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1162,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 TYR HD 77 ASN HN 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1193,1202,
&end
#
# 76 TYR HB3 77 ASN HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=1190,1206, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 86 PHE HD 87 SER HN 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1348,1356,
&end
#
# 13 LEU HA 87 SER HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 154,1360, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 13 LEU QD2 87 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 165, 166, 167,
&end
#
# 67 LYS+ HN 68 LEU HN 4.05
&rst
ixpk= 0, nxpk= 0, iat=1045,1067, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 65 HIS+ HD2 67 LYS+ HN 5.28
&rst
ixpk= 0, nxpk= 0, iat=1031,1045, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 65 HIS+ HA 67 LYS+ HN 5.21
&rst
ixpk= 0, nxpk= 0, iat=1020,1045, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 64 GLN HA 67 LYS+ HN 4.60
&rst
ixpk= 0, nxpk= 0, iat=1003,1045, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 65 HIS+ QB 67 LYS+ HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1022,1023,
&end
#
# 64 GLN QB 67 LYS+ HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1005,1006,
&end
#
# 67 LYS+ HN 67 LYS+ HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat=1045,1050, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 67 LYS+ HN 84 ILE QG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1315,1316,1317,
&end
#
# 65 HIS+ HN 67 LYS+ HN 4.97
&rst
ixpk= 0, nxpk= 0, iat=1018,1045, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 64 GLN HN 65 HIS+ HN 3.80
&rst
ixpk= 0, nxpk= 0, iat=1001,1018, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 65 HIS+ HN 65 HIS+ HD2 4.34
&rst
ixpk= 0, nxpk= 0, iat=1018,1031, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 62 SER HA 65 HIS+ HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= 982,1018, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 61 VAL HA 65 HIS+ HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= 966,1018, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 65 HIS+ HN 65 HIS+ QB 3.53
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1022,1023,
&end
#
# 64 GLN QB 65 HIS+ HN 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1005,1006,
&end
#
# 63 ALA QB 65 HIS+ HN 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 995, 996, 997,
&end
#
# 65 HIS+ HN 66 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1039,1040,1041,
&end
#
# 65 HIS+ HN 68 LEU QD2 4.87
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1080,1081,1082,
&end
#
# 126 PHE HN 127 GLY HN 3.80
&rst
ixpk= 0, nxpk= 0, iat=1948,1968, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 64 GLN HN 86 PHE HE 4.74
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1350,1354,
&end
#
# 126 PHE HN 126 PHE HD 4.07
&rst
ixpk= 0, nxpk= 0, iat=1948, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1956,1964,
&end
#
# 122 MET HA 126 PHE HN 4.92
&rst
ixpk= 0, nxpk= 0, iat=1903,1948, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 126 PHE HN 126 PHE HB2 3.59
&rst
ixpk= 0, nxpk= 0, iat=1948,1952, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 118 LEU QD2 126 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1948, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1852,1853,1854,
&end
#
# 45 PHE HN 54 LEU HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 704, 852, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 45 PHE HN 46 THR HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 704, 724, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 45 PHE HN 52 GLN HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= 704, 825, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 45 PHE HN 45 PHE HD 4.72
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 712, 720,
&end
#
# 45 PHE HN 53 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 846, 847, 848,
&end
#
# 44 THR HN 101 SER HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 690,1593, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 44 THR HN 45 PHE HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 690, 706, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 44 THR HN 101 SER HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 690,1595, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 43 ILE HB 44 THR HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= 675, 690, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 26 LEU QD2 44 THR HN 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 395, 396, 397,
&end
#
# 70 LEU HN 71 ASP- HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1097,1118, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 70 LEU HN 71 ASP- HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat=1097,1121, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 66 ALA HA 70 LEU HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1037,1097, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 108 ASP- HN 109 LEU HN 3.81
&rst
ixpk= 0, nxpk= 0, iat=1711,1723, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 106 ARG+ HA 108 ASP- HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=1675,1711, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 107 PRO HD3 108 ASP- HN 4.29
&rst
ixpk= 0, nxpk= 0, iat=1699,1711, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 107 PRO HD2 108 ASP- HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1698,1711, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 107 PRO HB3 108 ASP- HN 4.68
&rst
ixpk= 0, nxpk= 0, iat=1705,1711, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 106 ARG+ HB3 108 ASP- HN 4.35
&rst
ixpk= 0, nxpk= 0, iat=1678,1711, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 108 ASP- HN 109 LEU HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat=1711,1728, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 106 ARG+ HB2 108 ASP- HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=1677,1711, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 108 ASP- HN 109 LEU QD2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1711, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1736,1737,1738,
&end
#
# 71 ASP- HN 72 GLY HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1116,1128, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 71 ASP- HB2 72 GLY HN 5.18
&rst
ixpk= 0, nxpk= 0, iat=1120,1128, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 72 GLY HN 73 GLN HG2 5.40
&rst
ixpk= 0, nxpk= 0, iat=1128,1142, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 9 GLN HNE2 10 SER HN 5.28
&rst
ixpk= 0, nxpk= 0, iat= 107, 111, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 10 SER HN 10 SER HB3 3.74
&rst
ixpk= 0, nxpk= 0, iat= 111, 116, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 10 SER HN 10 SER HB2 3.87
&rst
ixpk= 0, nxpk= 0, iat= 111, 115, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 10 SER HN 11 PRO HD2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 111, 123, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 8 GLY QA 10 SER HN 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 111, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 89, 90,
&end
#
# 68 LEU HN 71 ASP- HN 5.39
&rst
ixpk= 0, nxpk= 0, iat=1067,1116, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 64 GLN HNE2 68 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1014,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 HIS+ HD2 68 LEU HN 5.47
&rst
ixpk= 0, nxpk= 0, iat=1031,1067, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 65 HIS+ HA 68 LEU HN 4.75
&rst
ixpk= 0, nxpk= 0, iat=1020,1067, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 66 ALA HA 68 LEU HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1037,1067, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 64 GLN QB 68 LEU HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1005,1006,
&end
#
# 67 LYS+ HB2 68 LEU HN 4.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1067, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 LEU HN 68 LEU HG 4.59
&rst
ixpk= 0, nxpk= 0, iat=1067,1074, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 68 LEU HN 68 LEU QD2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1080,1081,1082,
&end
#
# 38 THR HN 39 VAL HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= 581, 595, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 38 THR HN 58 ALA HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 581, 928, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 38 THR HN 57 TYR HD 4.74
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 915, 924,
&end
#
# 38 THR HN 57 TYR HE 5.20
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 917, 922,
&end
#
# 38 THR HN 57 TYR HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= 581, 909, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 38 THR HN 62 SER HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= 581, 984, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 38 THR HN 63 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 995, 996, 997,
&end
#
# 38 THR HN 58 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 932, 933, 934,
&end
#
# 38 THR HN 38 THR QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 587, 588, 589,
&end
#
# 117 SER HN 122 MET HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1828,1901, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 117 SER HN 117 SER HA 2.75
&rst
ixpk= 0, nxpk= 0, iat=1828,1830, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 117 SER HN 117 SER HB2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1828,1832, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 116 PRO HB3 117 SER HN 3.96
&rst
ixpk= 0, nxpk= 0, iat=1822,1828, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 116 PRO QG 117 SER HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1828, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1818,1819,
&end
#
# 116 PRO HB2 117 SER HN 3.93
&rst
ixpk= 0, nxpk= 0, iat=1821,1828, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 117 SER HN 118 LEU HG 5.17
&rst
ixpk= 0, nxpk= 0, iat=1828,1846, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 117 SER HN 118 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1848,1849,1850,
&end
#
# 113 ASP- HN 114 SER HN 4.12
&rst
ixpk= 0, nxpk= 0, iat=1774,1786, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 112 GLY HA3 114 SER HN 5.32
&rst
ixpk= 0, nxpk= 0, iat=1770,1786, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 113 ASP- HB2 114 SER HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1778,1786, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 75 ILE HN 76 TYR HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=1166,1185, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 74 ASN HND1 76 TYR HN 5.43
&rst
ixpk= 0, nxpk= 0, iat=1161,1185, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 74 ASN HA 76 TYR HN 5.11
&rst
ixpk= 0, nxpk= 0, iat=1154,1185, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 74 ASN HB3 76 TYR HN 4.82
&rst
ixpk= 0, nxpk= 0, iat=1157,1185, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 75 ILE HG12 76 TYR HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1176,1185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 58 ALA HN 59 ASP- HN 4.04
&rst
ixpk= 0, nxpk= 0, iat= 928, 938, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 57 TYR HE 59 ASP- HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 917, 922,
&end
#
# 59 ASP- HN 60 PRO HD3 5.35
&rst
ixpk= 0, nxpk= 0, iat= 938, 952, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 38 THR HB 59 ASP- HN 5.27
&rst
ixpk= 0, nxpk= 0, iat= 585, 938, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 59 ASP- HN 60 PRO HD2 4.82
&rst
ixpk= 0, nxpk= 0, iat= 938, 951, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 39 VAL HA 59 ASP- HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= 597, 938, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 59 ASP- HN 59 ASP- HB3 3.73
&rst
ixpk= 0, nxpk= 0, iat= 938, 943, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 59 ASP- HN 63 ALA QB 5.24
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 995, 996, 997,
&end
#
# 58 ALA QB 59 ASP- HN 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 932, 933, 934,
&end
#
# 38 THR QG2 59 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 587, 588, 589,
&end
#
# 40 LEU QD2 59 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 624, 625, 626,
&end
#
# 40 LEU QD1 59 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 620, 621, 622,
&end
#
# 121 THR HN 123 ALA HN 3.93
&rst
ixpk= 0, nxpk= 0, iat=1887,1918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 117 SER HA 121 THR HN 5.09
&rst
ixpk= 0, nxpk= 0, iat=1830,1887, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 118 LEU HA 121 THR HN 4.10
&rst
ixpk= 0, nxpk= 0, iat=1841,1887, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 121 THR HN 121 THR HB 3.10
&rst
ixpk= 0, nxpk= 0, iat=1887,1891, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 120 GLN HB3 121 THR HN 3.86
&rst
ixpk= 0, nxpk= 0, iat=1875,1887, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 118 LEU QB 121 THR HN 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1843,1844,
&end
#
# 121 THR HN 123 ALA QB 4.85
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1922,1923,1924,
&end
#
# 121 THR HN 121 THR QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1887, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1893,1894,1895,
&end
#
# 118 LEU QD1 121 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1848,1849,1850,
&end
#
# 45 PHE HD 46 THR HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 712, 720,
&end
#
# 45 PHE HB3 46 THR HN 4.92
&rst
ixpk= 0, nxpk= 0, iat= 709, 724, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 45 PHE HB2 46 THR HN 5.18
&rst
ixpk= 0, nxpk= 0, iat= 708, 724, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 46 THR HN 46 THR QG2 5.27
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 730, 731, 732,
&end
#
# 100 LYS+ HN 101 SER HN 2.50
&rst
ixpk= 0, nxpk= 0, iat=1569,1591, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 101 SER HN 102 ARG+ QD 5.33
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1612,1613,
&end
#
# 100 LYS+ HB3 101 SER HN 4.81
&rst
ixpk= 0, nxpk= 0, iat=1574,1591, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 100 LYS+ HB2 101 SER HN 4.71
&rst
ixpk= 0, nxpk= 0, iat=1573,1591, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 100 LYS+ QG 101 SER HN 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1591, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1576,1577,
&end
#
# 33 PHE HN 33 PHE HD 4.33
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 509, 517,
&end
#
# 33 PHE HN 36 PHE HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 501, 554, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 33 PHE HN 33 PHE HE 5.23
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 511, 515,
&end
#
# 29 LEU HA 33 PHE HN 5.41
&rst
ixpk= 0, nxpk= 0, iat= 431, 501, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 33 PHE HN 34 SER HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= 501, 526, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 32 ILE HG12 33 PHE HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 492, 501, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 28 VAL QG1 33 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 501, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 419, 420, 421,
&end
#
# 33 PHE HN 55 LEU QD2 5.31
&rst
ixpk= 0, nxpk= 0, iat= 501, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 884, 885, 886,
&end
#
# 19 ASN HND2 81 THR HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 274,1252, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 19 ASN HND2 81 THR HB 5.26
&rst
ixpk= 0, nxpk= 0, iat= 274,1256, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 18 GLU- HB2 19 ASN HND2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 253, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ASN HND2 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1258,1259,1260,
&end
#
# 19 ASN HND1 81 THR HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 273,1252, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 19 ASN HND1 81 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273,1256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 GLU- HB3 19 ASN HND1 5.19
&rst
ixpk= 0, nxpk= 0, iat= 254, 273, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 19 ASN HND1 81 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1258,1259,1260,
&end
#
# 95 LYS+ HN 96 TYR HN 3.50
&rst
ixpk= 0, nxpk= 0, iat=1486,1508, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 TYR HN 96 TYR HD 4.80
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1516,1525,
&end
#
# 95 LYS+ QD 96 TYR HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1508, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1496,1497,
&end
#
# 95 LYS+ HB3 96 TYR HN 4.47
&rst
ixpk= 0, nxpk= 0, iat=1491,1508, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 95 LYS+ HB2 96 TYR HN 4.26
&rst
ixpk= 0, nxpk= 0, iat=1490,1508, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 111 SER HN 111 SER HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1756,1760, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 111 SER HN 112 GLY HA3 5.25
&rst
ixpk= 0, nxpk= 0, iat=1756,1770, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 111 SER HN 112 GLY HA2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1756,1769, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 40 LEU HN 41 LYS+ HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= 611, 630, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 41 LYS+ HN 57 TYR HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 630, 907, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 41 LYS+ HN 56 GLN HN 4.50
&rst
ixpk= 0, nxpk= 0, iat= 630, 890, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 41 LYS+ HN 56 GLN HNE1 5.40
&rst
ixpk= 0, nxpk= 0, iat= 630, 902, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 41 LYS+ HN 57 TYR HA 4.98
&rst
ixpk= 0, nxpk= 0, iat= 630, 909, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 41 LYS+ HN 42 ILE HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= 630, 654, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 41 LYS+ HN 55 LEU HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 630, 873, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 39 VAL HA 41 LYS+ HN 5.05
&rst
ixpk= 0, nxpk= 0, iat= 597, 630, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 41 LYS+ HN 56 GLN HG2 5.36
&rst
ixpk= 0, nxpk= 0, iat= 630, 897, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 41 LYS+ HN 41 LYS+ HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 41 LYS+ HN 56 GLN HB2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 630, 894, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 41 LYS+ HN 55 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 630, 876, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 LYS+ HN 42 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat= 630, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 665, 666, 667,
&end
#
# 40 LEU QD1 41 LYS+ HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 620, 621, 622,
&end
#
# 39 VAL QG2 41 LYS+ HN 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 605, 606, 607,
&end
#
# 25 THR HN 29 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 368, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 VAL HB 25 THR HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 356, 368, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 25 THR HN 28 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 419, 420, 421,
&end
#
# 24 VAL QG1 25 THR HN 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 358, 359, 360,
&end
#
# 48 ASN HA 48 ASN HND2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 762, 770, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 48 ASN HB3 48 ASN HND2 4.14
&rst
ixpk= 0, nxpk= 0, iat= 765, 770, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 48 ASN HB2 48 ASN HND2 3.99
&rst
ixpk= 0, nxpk= 0, iat= 764, 770, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 70 LEU HA 73 GLN HNE1 5.23
&rst
ixpk= 0, nxpk= 0, iat=1099,1147, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 72 GLY HA3 73 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1131,1147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ASN HN 98 ASN HND2 5.43
&rst
ixpk= 0, nxpk= 0, iat=1543,1553, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 49 ASN HN 49 ASN HND2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 774, 784, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 93 ASN HA 93 ASN HND2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1458,1466, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 98 ASN HA 98 ASN HND2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1545,1553, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 49 ASN HA 49 ASN HND2 5.48
&rst
ixpk= 0, nxpk= 0, iat= 776, 784, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 79 CYS HN 80 CYS HN 5.14
&rst
ixpk= 0, nxpk= 0, iat=1230,1241, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 77 ASN HND2 79 CYS HN 5.49
&rst
ixpk= 0, nxpk= 0, iat=1216,1230, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 74 ASN HND2 79 CYS HN 5.26
&rst
ixpk= 0, nxpk= 0, iat=1162,1230, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 76 TYR HN 79 CYS HN 5.16
&rst
ixpk= 0, nxpk= 0, iat=1185,1230, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 77 ASN HA 79 CYS HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1208,1230, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 74 ASN HB3 79 CYS HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1157,1230, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 74 ASN HB2 79 CYS HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1156,1230, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 114 SER HA 115 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1788,1810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ASN HA 77 ASN HND2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 77 ASN HND2 78 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1224,1225,1226,
&end
#
# 77 ASN HA 77 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1208,1215, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 THR HN 91 SER HN 3.66
&rst
ixpk= 0, nxpk= 0, iat=1412,1426, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 91 SER HN 92 LEU HN 5.00
&rst
ixpk= 0, nxpk= 0, iat=1426,1437, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 91 SER HN 91 SER QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=1426, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1430,1431,
&end
#
# 89 LEU HB3 91 SER HN 4.34
&rst
ixpk= 0, nxpk= 0, iat=1398,1426, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 89 LEU HB2 91 SER HN 4.29
&rst
ixpk= 0, nxpk= 0, iat=1397,1426, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 89 LEU QD2 91 SER HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1406,1407,1408,
&end
#
# 12 VAL QG1 91 SER HN 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 142, 143, 144,
&end
#
# 19 ASN HB3 80 CYS HN 4.90
&rst
ixpk= 0, nxpk= 0, iat= 269,1241, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 75 ILE QD1 80 CYS HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1179,1180,1181,
&end
#
# 49 ASN HN 49 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 774, 783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASN HA 49 ASN HND1 5.36
&rst
ixpk= 0, nxpk= 0, iat= 776, 783, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 48 ASN HB2 49 ASN HND2 4.35
&rst
ixpk= 0, nxpk= 0, iat= 764, 784, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 36 PHE HN 57 TYR HE 5.14
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 917, 922,
&end
#
# 34 SER HA 36 PHE HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 523, 554, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 33 PHE HA 36 PHE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 503, 554, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 36 PHE HN 37 GLY HA2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 554, 576, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 34 SER HB2 36 PHE HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= 525, 554, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 35 LYS+ HB3 36 PHE HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= 537, 554, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 36 PHE HN 39 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 601, 602, 603,
&end
#
# 120 GLN HNE2 123 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1883, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1922,1923,1924,
&end
#
# 69 SER HN 70 LEU HN 3.85
&rst
ixpk= 0, nxpk= 0, iat=1086,1097, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 68 LEU HN 69 SER HN 4.00
&rst
ixpk= 0, nxpk= 0, iat=1067,1086, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 69 SER HN 71 ASP- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat=1086,1116, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 69 SER HN 69 SER HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat=1086,1091, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 69 SER HN 69 SER HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1086,1090, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 66 ALA HA 69 SER HN 4.87
&rst
ixpk= 0, nxpk= 0, iat=1037,1086, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 68 LEU HB3 69 SER HN 3.73
&rst
ixpk= 0, nxpk= 0, iat=1072,1086, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 68 LEU HG 69 SER HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1074,1086, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 68 LEU QD2 69 SER HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1080,1081,1082,
&end
#
# 69 SER HN 70 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1110,1111,1112,
&end
#
# 69 SER HN 70 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1106,1107,1108,
&end
#
# 97 ASN HND2 109 LEU HN 5.04
&rst
ixpk= 0, nxpk= 0, iat=1539,1723, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 97 ASN HND2 109 LEU HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1539,1725, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 74 ASN HA 74 ASN HND2 5.45
&rst
ixpk= 0, nxpk= 0, iat=1154,1162, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 74 ASN HND1 77 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1161,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ASN HND1 79 CYS HN 5.35
&rst
ixpk= 0, nxpk= 0, iat=1161,1230, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 50 GLN HB3 50 GLN HNE1 5.38
&rst
ixpk= 0, nxpk= 0, iat= 793, 800, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 50 GLN HB2 50 GLN HNE1 5.25
&rst
ixpk= 0, nxpk= 0, iat= 792, 800, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 16 ILE QG2 50 GLN HNE1 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1= 220, 221, 222,
&end
#
# 74 ASN HND1 75 ILE QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1179,1180,1181,
&end
#
# 104 TYR HN 105 THR HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=1638,1659, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 105 THR HN 106 ARG+ HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1659,1675, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 105 THR HN 106 ARG+ HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat=1659,1677, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 50 GLN HNE2 52 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 801, 837, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLN HA 50 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 790, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 GLN HB2 50 GLN HNE2 5.19
&rst
ixpk= 0, nxpk= 0, iat= 792, 801, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 16 ILE QD1 50 GLN HNE2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 227, 228, 229,
&end
#
# 9 GLN HA 9 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 96, 106, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLN HNE1 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 9 GLN HNE2 64 GLN QB 5.39
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1005,1006,
&end
#
# 9 GLN HB3 9 GLN HNE2 5.42
&rst
ixpk= 0, nxpk= 0, iat= 99, 107, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 9 GLN HNE2 61 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 974, 975, 976,
&end
#
# 31 GLN HN 31 GLN HNE2 5.46
&rst
ixpk= 0, nxpk= 0, iat= 465, 478, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 27 ASP- HB3 31 GLN HNE2 5.21
&rst
ixpk= 0, nxpk= 0, iat= 406, 478, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 28 VAL QG2 31 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 423, 424, 425,
&end
#
# 31 GLN HA 31 GLN HNE1 5.31
&rst
ixpk= 0, nxpk= 0, iat= 467, 477, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 28 VAL HA 31 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 415, 477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 VAL QG2 31 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 477, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 423, 424, 425,
&end
#
# 47 LYS+ HN 49 ASN HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 738, 774, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 64 GLN HN 64 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1001,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 GLN HNE2 67 LYS+ HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1014,1050, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 63 ALA QB 64 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 995, 996, 997,
&end
#
# 64 GLN HNE2 68 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1080,1081,1082,
&end
#
# 64 GLN QB 64 GLN HNE1 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1005,1006,
&end
#
# 9 GLN QG 64 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 101, 102,
&end
#
# 64 GLN HNE1 68 LEU QD2 4.57
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1080,1081,1082,
&end
#
# 56 GLN HNE2 91 SER HA 5.19
&rst
ixpk= 0, nxpk= 0, iat= 903,1428, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 96 TYR HD 112 GLY HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1516,1525,
&end
#
# 96 TYR HE 112 GLY HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1767, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1=1518,1523,
&end
#
# 110 PRO HA 112 GLY HN 4.22
&rst
ixpk= 0, nxpk= 0, iat=1752,1767, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 111 SER HB3 112 GLY HN 4.54
&rst
ixpk= 0, nxpk= 0, iat=1761,1767, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 110 PRO HD3 112 GLY HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1744,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 PRO HB3 112 GLY HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1750,1767, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 110 PRO HB2 112 GLY HN 4.08
&rst
ixpk= 0, nxpk= 0, iat=1749,1767, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 56 GLN HN 56 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 890, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 GLN HNE1 91 SER HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= 902,1428, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 56 GLN HNE1 91 SER QB 5.12
&rst
ixpk= 0, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1430,1431,
&end
#
# 56 GLN HB2 56 GLN HNE1 5.12
&rst
ixpk= 0, nxpk= 0, iat= 894, 902, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 41 LYS+ HB2 56 GLN HNE1 5.35
&rst
ixpk= 0, nxpk= 0, iat= 634, 902, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 40 LEU HB2 56 GLN HNE1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 615, 902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 LEU HB2 90 THR HN 4.38
&rst
ixpk= 0, nxpk= 0, iat=1397,1412, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 12 VAL QG2 90 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 146, 147, 148,
&end
#
# 12 VAL QG1 90 THR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 142, 143, 144,
&end
#
# 8 GLY HN 9 GLN HN 3.94
&rst
ixpk= 0, nxpk= 0, iat= 87, 94, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 7 ALA HA 8 GLY HN 3.00
&rst
ixpk= 0, nxpk= 0, iat= 79, 87, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 8 GLY HN 9 GLN QG 5.16
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 101, 102,
&end
#
# 8 GLY HN 9 GLN HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= 87, 99, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 37 GLY HN 38 THR HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 574, 581, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 34 SER HN 37 GLY HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 521, 574, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 36 PHE HN 37 GLY HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= 554, 574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 LYS+ HN 37 GLY HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= 532, 574, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 37 GLY HN 57 TYR HE 4.53
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 917, 922,
&end
#
# 34 SER HA 37 GLY HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 523, 574, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 36 PHE HB3 37 GLY HN 4.45
&rst
ixpk= 0, nxpk= 0, iat= 559, 574, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 37 GLY HN 62 SER HB2 5.03
&rst
ixpk= 0, nxpk= 0, iat= 574, 984, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 36 PHE HB2 37 GLY HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= 558, 574, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 37 GLY HN 66 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1039,1040,1041,
&end
#
# 37 GLY HN 39 VAL QG1 5.03
&rst
ixpk= 0, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 601, 602, 603,
&end
#
# 33 PHE HN 34 SER HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 501, 521, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 120 GLN HN 123 ALA HN 4.72
&rst
ixpk= 0, nxpk= 0, iat=1870,1918, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 33 PHE HD 34 SER HN 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 509, 517,
&end
#
# 34 SER HN 36 PHE HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 521, 554, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 34 SER HN 35 LYS+ HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 521, 532, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 34 SER HN 34 SER HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 SER HN 34 SER HB2 4.12
&rst
ixpk= 0, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 34 SER HN 35 LYS+ HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat= 521, 540, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 47 LYS+ HN 50 GLN HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= 738, 788, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 45 PHE HE 47 LYS+ HN 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 738, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 714, 718,
&end
#
# 46 THR HB 47 LYS+ HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= 728, 738, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 47 LYS+ HN 50 GLN HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 738, 792, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 19 ASN HN 20 LEU HN 4.13
&rst
ixpk= 0, nxpk= 0, iat= 264, 278, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 20 LEU HN 21 PHE HE 5.47
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 307, 311,
&end
#
# 19 ASN HND1 20 LEU HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= 273, 278, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 19 ASN HB2 20 LEU HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 268, 278, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 18 GLU- HB3 20 LEU HN 5.07
&rst
ixpk= 0, nxpk= 0, iat= 254, 278, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 20 LEU HN 20 LEU HB3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 278, 283, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 20 LEU HN 20 LEU HG 4.56
&rst
ixpk= 0, nxpk= 0, iat= 278, 285, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 20 LEU HN 20 LEU HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat= 278, 282, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 57 TYR HE 62 SER HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 917, 922,
&end
#
# 59 ASP- HB3 62 SER HN 4.18
&rst
ixpk= 0, nxpk= 0, iat= 943, 980, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 59 ASP- HB2 62 SER HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= 942, 980, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 105 THR HN 106 ARG+ HN 4.16
&rst
ixpk= 0, nxpk= 0, iat=1659,1673, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 104 TYR HN 106 ARG+ HN 4.86
&rst
ixpk= 0, nxpk= 0, iat=1638,1673, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 105 THR HB 106 ARG+ HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=1663,1673, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 104 TYR HA 106 ARG+ HN 5.30
&rst
ixpk= 0, nxpk= 0, iat=1640,1673, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 106 ARG+ HN 106 ARG+ HB2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1673,1677, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 106 ARG+ HN 109 LEU QD2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1736,1737,1738,
&end
#
# 61 VAL HN 63 ALA HN 4.76
&rst
ixpk= 0, nxpk= 0, iat= 964, 991, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 63 ALA HN 65 HIS+ HN 5.13
&rst
ixpk= 0, nxpk= 0, iat= 991,1018, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 62 SER HN 63 ALA HN 3.64
&rst
ixpk= 0, nxpk= 0, iat= 980, 991, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 57 TYR HD 63 ALA HN 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 915, 924,
&end
#
# 57 TYR HE 63 ALA HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 917, 922,
&end
#
# 60 PRO HA 63 ALA HN 4.66
&rst
ixpk= 0, nxpk= 0, iat= 960, 991, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 61 VAL HA 63 ALA HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 966, 991, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 62 SER HB3 63 ALA HN 4.40
&rst
ixpk= 0, nxpk= 0, iat= 985, 991, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 62 SER HB2 63 ALA HN 4.63
&rst
ixpk= 0, nxpk= 0, iat= 984, 991, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 63 ALA HN 64 GLN HG3 5.49
&rst
ixpk= 0, nxpk= 0, iat= 991,1009, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 63 ALA HN 64 GLN QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 991, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1005,1006,
&end
#
# 60 PRO HB2 63 ALA HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 957, 991, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 13 LEU QD2 63 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 165, 166, 167,
&end
#
# 61 VAL QG1 63 ALA HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 970, 971, 972,
&end
#
# 106 ARG+ HA 109 LEU HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1675,1723, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 108 ASP- HB2 109 LEU HN 4.67
&rst
ixpk= 0, nxpk= 0, iat=1715,1723, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 107 PRO HB3 109 LEU HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1705,1723, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 109 LEU HN 109 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1723,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 109 LEU HN 109 LEU HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 106 ARG+ HB2 109 LEU HN 4.17
&rst
ixpk= 0, nxpk= 0, iat=1677,1723, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 33 PHE HN 35 LYS+ HN 5.26
&rst
ixpk= 0, nxpk= 0, iat= 501, 532, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 33 PHE HD 35 LYS+ HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 509, 517,
&end
#
# 35 LYS+ HN 36 PHE HN 3.88
&rst
ixpk= 0, nxpk= 0, iat= 532, 554, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 35 LYS+ HN 36 PHE HA 5.15
&rst
ixpk= 0, nxpk= 0, iat= 532, 556, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 33 PHE HA 35 LYS+ HN 4.84
&rst
ixpk= 0, nxpk= 0, iat= 503, 532, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 32 ILE HA 35 LYS+ HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 484, 532, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 35 LYS+ HN 35 LYS+ HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat= 532, 537, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 35 LYS+ HN 35 LYS+ HB2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 532, 536, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 35 LYS+ HN 39 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 601, 602, 603,
&end
#
# 63 ALA HN 64 GLN HN 3.83
&rst
ixpk= 0, nxpk= 0, iat= 991,1001, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 64 GLN HN 65 HIS+ HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1001,1020, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 64 GLN HN 64 GLN QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1005,1006,
&end
#
# 98 ASN HB3 99 ASP- HN 4.32
&rst
ixpk= 0, nxpk= 0, iat=1548,1557, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 98 ASN HB2 99 ASP- HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1547,1557, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 29 LEU HN 30 HIS+ HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= 429, 448, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 26 LEU HB2 29 LEU HN 5.35
&rst
ixpk= 0, nxpk= 0, iat= 386, 429, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 26 LEU HN 27 ASP- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= 382, 401, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 27 ASP- HN 28 VAL HN 4.20
&rst
ixpk= 0, nxpk= 0, iat= 401, 413, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 27 ASP- HN 30 HIS+ QB 5.09
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 452, 453,
&end
#
# 27 ASP- HN 28 VAL HB 4.76
&rst
ixpk= 0, nxpk= 0, iat= 401, 417, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 26 LEU HB3 27 ASP- HN 4.14
&rst
ixpk= 0, nxpk= 0, iat= 387, 401, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 27 ASP- HN 28 VAL QG1 5.45
&rst
ixpk= 0, nxpk= 0, iat= 401, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr2= 419, 420, 421,
&end
#
# 10 SER HA 12 VAL HN 4.80
&rst
ixpk= 0, nxpk= 0, iat= 113, 136, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 12 VAL HN 90 THR HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= 136,1414, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 11 PRO HD3 12 VAL HN 4.53
&rst
ixpk= 0, nxpk= 0, iat= 124, 136, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 45 PHE HD 52 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 712, 720,
&end
#
# 47 LYS+ QB 52 GLN HNE2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 742, 743,
&end
#
# 13 LEU HB2 14 ARG+ HN 4.93
&rst
ixpk= 0, nxpk= 0, iat= 156, 171, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 14 ARG+ HN 15 ILE HN 5.12
&rst
ixpk= 0, nxpk= 0, iat= 171, 195, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 18 GLU- HG2 19 ASN HN 5.23
&rst
ixpk= 0, nxpk= 0, iat= 256, 264, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 20 LEU HN 21 PHE HN 5.19
&rst
ixpk= 0, nxpk= 0, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 24 VAL HN 26 LEU HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat= 352, 387, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 25 THR HN 28 VAL QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 423, 424, 425,
&end
#
# 25 THR HN 26 LEU QD1 4.83
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 391, 392, 393,
&end
#
# 24 VAL HN 26 LEU QD1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 391, 392, 393,
&end
#
# 26 LEU HN 26 LEU HG 4.22
&rst
ixpk= 0, nxpk= 0, iat= 382, 389, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 26 LEU QD1 27 ASP- HN 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 391, 392, 393,
&end
#
# 26 LEU QD2 27 ASP- HN 5.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 395, 396, 397,
&end
#
# 28 VAL HN 29 LEU HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= 413, 433, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 25 THR QG2 27 ASP- HN 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 374, 375, 376,
&end
#
# 28 VAL QG1 29 LEU HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 429, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 419, 420, 421,
&end
#
# 26 LEU HA 29 LEU HN 4.36
&rst
ixpk= 0, nxpk= 0, iat= 384, 429, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 26 LEU HN 29 LEU HN 5.24
&rst
ixpk= 0, nxpk= 0, iat= 382, 429, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 28 VAL HB 29 LEU HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 417, 429, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 29 LEU HN 29 LEU HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= 429, 433, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 29 LEU HN 29 LEU QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 438, 439, 440,
&end
#
# 29 LEU QD1 30 HIS+ HN 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 438, 439, 440,
&end
#
# 29 LEU HB2 30 HIS+ HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 433, 448, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 30 HIS+ HN 31 GLN HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= 448, 467, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 30 HIS+ HN 30 HIS+ QB 4.16
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 452, 453,
&end
#
# 32 ILE HN 32 ILE HG12 4.42
&rst
ixpk= 0, nxpk= 0, iat= 482, 492, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 32 ILE HN 32 ILE HG13 4.31
&rst
ixpk= 0, nxpk= 0, iat= 482, 493, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 34 SER HN 35 LYS+ HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 33 PHE HB2 34 SER HN 4.86
&rst
ixpk= 0, nxpk= 0, iat= 505, 521, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 33 PHE HB3 34 SER HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS+ HN 36 PHE HE 4.78
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 564, 568,
&end
#
# 34 SER HB2 35 LYS+ HN 5.09
&rst
ixpk= 0, nxpk= 0, iat= 525, 532, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 35 LYS+ HN 35 LYS+ HD3 4.27
&rst
ixpk= 0, nxpk= 0, iat= 532, 543, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 35 LYS+ HN 35 LYS+ HG3 3.76
&rst
ixpk= 0, nxpk= 0, iat= 532, 540, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 35 LYS+ HN 35 LYS+ HD2 3.78
&rst
ixpk= 0, nxpk= 0, iat= 532, 542, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 36 PHE HN 36 PHE HE 4.91
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 564, 568,
&end
#
# 33 PHE HB3 36 PHE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 506, 554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HN 62 SER HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat= 554, 984, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 39 VAL HN 39 VAL QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 605, 606, 607,
&end
#
# 40 LEU HN 55 LEU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 611, 873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 VAL HB 40 LEU HN 4.33
&rst
ixpk= 0, nxpk= 0, iat= 599, 611, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 40 LEU HB2 41 LYS+ HN 4.30
&rst
ixpk= 0, nxpk= 0, iat= 615, 630, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 LYS+ HN 42 ILE HN 5.37
&rst
ixpk= 0, nxpk= 0, iat= 630, 652, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 39 VAL QG2 42 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 605, 606, 607,
&end
#
# 26 LEU QD2 42 ILE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 652, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 395, 396, 397,
&end
#
# 43 ILE HN 55 LEU HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat= 671, 876, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 45 PHE HN 54 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 704, 857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 PHE HN 53 ALA HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= 704, 844, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 45 PHE HN 45 PHE HE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 714, 718,
&end
#
# 48 ASN HA 50 GLN HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= 762, 788, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 50 GLN HB2 51 PHE HN 4.41
&rst
ixpk= 0, nxpk= 0, iat= 792, 805, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 50 GLN HB3 52 GLN HN 4.88
&rst
ixpk= 0, nxpk= 0, iat= 793, 825, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 52 GLN HN 53 ALA HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= 825, 842, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 16 ILE QG2 52 GLN HN 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 220, 221, 222,
&end
#
# 42 ILE QG2 54 LEU HN 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 658, 659, 660,
&end
#
# 54 LEU HN 54 LEU QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 861, 862, 863,
&end
#
# 44 THR HA 54 LEU HN 4.46
&rst
ixpk= 0, nxpk= 0, iat= 692, 852, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 45 PHE HD 54 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 712, 720,
&end
#
# 54 LEU QD1 55 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 861, 862, 863,
&end
#
# 40 LEU HN 56 GLN HN 5.45
&rst
ixpk= 0, nxpk= 0, iat= 611, 890, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 42 ILE QG2 56 GLN HN 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 658, 659, 660,
&end
#
# 12 VAL QG2 56 GLN HN 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 146, 147, 148,
&end
#
# 12 VAL QG1 56 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 890, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 142, 143, 144,
&end
#
# 55 LEU HN 55 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 871, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 884, 885, 886,
&end
#
# 40 LEU QD2 57 TYR HN 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 624, 625, 626,
&end
#
# 58 ALA HN 63 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 995, 996, 997,
&end
#
# 60 PRO HB2 61 VAL HN 4.19
&rst
ixpk= 0, nxpk= 0, iat= 957, 964, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 62 SER HN 62 SER HB3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 61 VAL QG2 62 SER HN 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 974, 975, 976,
&end
#
# 36 PHE HD 65 HIS+ HN 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 562, 570,
&end
#
# 66 ALA QB 67 LYS+ HN 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1039,1040,1041,
&end
#
# 65 HIS+ QB 68 LEU HN 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1022,1023,
&end
#
# 68 LEU HN 68 LEU HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1067,1072, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 70 LEU HN 84 ILE QD1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1322,1323,1324,
&end
#
# 70 LEU HB2 71 ASP- HN 4.85
&rst
ixpk= 0, nxpk= 0, iat=1101,1116, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 67 LYS+ HB2 71 ASP- HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1049,1116, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 67 LYS+ HB3 71 ASP- HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1050,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLN HN 73 GLN HG3 4.72
&rst
ixpk= 0, nxpk= 0, iat=1135,1143, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 73 GLN HN 73 GLN HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1135,1139, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 70 LEU QD2 73 GLN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1135, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1110,1111,1112,
&end
#
# 73 GLN HB2 74 ASN HN 4.33
&rst
ixpk= 0, nxpk= 0, iat=1139,1152, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 70 LEU QD2 74 ASN HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1110,1111,1112,
&end
#
# 74 ASN HN 81 THR HB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1152,1256, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 74 ASN HB3 75 ILE HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1157,1166, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 74 ASN HND2 75 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1162,1166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 TYR HB2 77 ASN HN 4.45
&rst
ixpk= 0, nxpk= 0, iat=1189,1206, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 77 ASN HN 77 ASN HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1206,1210, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 74 ASN HND2 78 ALA HN 5.10
&rst
ixpk= 0, nxpk= 0, iat=1162,1220, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 76 TYR HN 77 ASN HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1185,1206, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 77 ASN HB2 78 ALA HN 4.69
&rst
ixpk= 0, nxpk= 0, iat=1210,1220, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 74 ASN HB2 78 ALA HN 5.15
&rst
ixpk= 0, nxpk= 0, iat=1156,1220, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 33 PHE HN 35 LYS+ HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 501, 539, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ASN HN 79 CYS HN 5.13
&rst
ixpk= 0, nxpk= 0, iat=1206,1230, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 82 LEU HN 82 LEU QD2 4.37
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1279,1280,1281,
&end
#
# 75 ILE QD1 82 LEU HN 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1179,1180,1181,
&end
#
# 74 ASN HN 82 LEU HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1152,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 LEU HB2 83 ARG+ HN 4.93
&rst
ixpk= 0, nxpk= 0, iat=1270,1285, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 15 ILE HA 84 ILE HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 197,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ARG+ HB2 84 ILE HN 4.52
&rst
ixpk= 0, nxpk= 0, iat=1289,1309, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 83 ARG+ HB3 84 ILE HN 4.78
&rst
ixpk= 0, nxpk= 0, iat=1290,1309, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 83 ARG+ HN 84 ILE HN 4.89
&rst
ixpk= 0, nxpk= 0, iat=1285,1309, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 VAL QG2 87 SER HN 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 146, 147, 148,
&end
#
# 90 THR HN 90 THR HB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1412,1416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 VAL QG1 92 LEU HN 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1437, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 142, 143, 144,
&end
#
# 93 ASN HB3 94 VAL HN 5.50
&rst
ixpk= 0, nxpk= 0, iat=1461,1470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 VAL QG1 95 LYS+ HN 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1486, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1476,1477,1478,
&end
#
# 96 TYR HN 96 TYR HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1508, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1518,1523,
&end
#
# 96 TYR HB3 97 ASN HN 4.59
&rst
ixpk= 0, nxpk= 0, iat=1513,1529, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 98 ASN HA 100 LYS+ HN 4.98
&rst
ixpk= 0, nxpk= 0, iat=1545,1569, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 101 SER HB3 102 ARG+ HN 4.51
&rst
ixpk= 0, nxpk= 0, iat=1596,1602, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 102 ARG+ HB2 103 ASP- HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1606,1626, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 102 ARG+ HB3 103 ASP- HN 4.56
&rst
ixpk= 0, nxpk= 0, iat=1607,1626, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 41 LYS+ HB3 104 TYR HN 5.50
&rst
ixpk= 0, nxpk= 0, iat= 635,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 TYR HN 105 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1638, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1665,1666,1667,
&end
#
# 104 TYR HN 105 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1638,1661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 TYR HD 105 THR HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1646,1655,
&end
#
# 107 PRO HB2 108 ASP- HN 4.55
&rst
ixpk= 0, nxpk= 0, iat=1704,1711, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 107 PRO HG2 108 ASP- HN 4.22
&rst
ixpk= 0, nxpk= 0, iat=1701,1711, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 109 LEU HN 109 LEU QD1 4.26
&rst
ixpk= 0, nxpk= 0, iat=1723, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1732,1733,1734,
&end
#
# 111 SER HN 111 SER HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1756,1761, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 110 PRO HA 111 SER HN 3.33
&rst
ixpk= 0, nxpk= 0, iat=1752,1756, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 111 SER HN 112 GLY HN 3.87
&rst
ixpk= 0, nxpk= 0, iat=1756,1767, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 96 TYR HD 111 SER HN 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1516,1525,
&end
#
# 110 PRO HB3 111 SER HN 3.92
&rst
ixpk= 0, nxpk= 0, iat=1750,1756, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 110 PRO HB2 111 SER HN 3.88
&rst
ixpk= 0, nxpk= 0, iat=1749,1756, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 110 PRO HG3 111 SER HN 4.53
&rst
ixpk= 0, nxpk= 0, iat=1747,1756, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 110 PRO HG2 112 GLY HN 4.80
&rst
ixpk= 0, nxpk= 0, iat=1746,1767, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 111 SER HB2 112 GLY HN 4.65
&rst
ixpk= 0, nxpk= 0, iat=1760,1767, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 113 ASP- HN 113 ASP- HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat=1774,1779, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 113 ASP- HB3 114 SER HN 5.23
&rst
ixpk= 0, nxpk= 0, iat=1779,1786, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 115 GLN HN 115 GLN HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=1797,1802, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 117 SER HN 120 GLN QG 4.93
&rst
ixpk= 0, nxpk= 0, iat=1828, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=1877,1878,
&end
#
# 119 ASP- HN 120 GLN HN 4.09
&rst
ixpk= 0, nxpk= 0, iat=1858,1870, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 119 ASP- QB 121 THR HN 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1887, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1862,1863,
&end
#
# 120 GLN HB2 121 THR HN 4.06
&rst
ixpk= 0, nxpk= 0, iat=1874,1887, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 122 MET HN 122 MET HG3 3.96
&rst
ixpk= 0, nxpk= 0, iat=1901,1909, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 15 ILE QG2 18 GLU- HN 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 201, 202, 203,
&end
#
# 16 ILE QG2 18 GLU- HN 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 220, 221, 222,
&end
#
# 57 TYR HB3 59 ASP- HN 4.09
&rst
ixpk= 0, nxpk= 0, iat= 912, 938, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 97 ASN HND1 109 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1538,1727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HND1 109 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1538,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HND2 109 LEU HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1539,1727, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HND2 109 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1539,1728, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HND2 109 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1539,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HND1 109 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1538,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ASN HND1 109 LEU HA 5.19
&rst
ixpk= 0, nxpk= 0, iat=1538,1725, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 40 LEU QD2 56 GLN HNE2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 624, 625, 626,
&end
#
# 48 ASN HB2 49 ASN HND1 4.36
&rst
ixpk= 0, nxpk= 0, iat= 764, 783, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 93 ASN HA 93 ASN HND1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1458,1465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 GLN HNE1 75 ILE HG12 5.44
&rst
ixpk= 0, nxpk= 0, iat=1147,1176, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
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