NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
652932 |
6snj   |
34427 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: RST
#
# 1 RGUA H1' 1 RGUA H8 3.60
&rst
ixpk= 0, nxpk= 0, iat= 10, 13, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 1 RGUA H2' 1 RGUA H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 29, 13, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1 RGUA H3' 1 RGUA H8 3.30
&rst
ixpk= 0, nxpk= 0, iat= 27, 13, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 1 RGUA H4' 1 RGUA H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 7, 13, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1 RGUA Q5' 1 RGUA H8 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 4, 5,
&end
#
# 1 RGUA H1 2 RGUA H21 5.08
&rst
ixpk= 0, nxpk= 0, iat= 19, 56, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 1 RGUA H1 2 RGUA H22 5.30
&rst
ixpk= 0, nxpk= 0, iat= 19, 57, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 1 RGUA H1 28 RCYT H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 19, 876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 RGUA H1 28 RCYT H6 5.90
&rst
ixpk= 0, nxpk= 0, iat= 19, 879, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 1 RGUA H1 28 RCYT H5 5.40
&rst
ixpk= 0, nxpk= 0, iat= 19, 881, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 1 RGUA H1 28 RCYT H41 3.00
&rst
ixpk= 0, nxpk= 0, iat= 19, 884, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 1 RGUA H1 28 RCYT H42 4.50
&rst
ixpk= 0, nxpk= 0, iat= 19, 885, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 RGUA H1' 2 RGUA H8 4.60
&rst
ixpk= 0, nxpk= 0, iat= 44, 47, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 2 RGUA H2' 2 RGUA H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 63, 47, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 2 RGUA H3' 2 RGUA H8 3.30
&rst
ixpk= 0, nxpk= 0, iat= 61, 47, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 2 RGUA H4' 2 RGUA H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 41, 47, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 2 RGUA Q5' 2 RGUA H8 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 47, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 38, 39,
&end
#
# 2 RGUA H8 1 RGUA H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 47, 10, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 2 RGUA H8 1 RGUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 47, 29, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 2 RGUA H8 1 RGUA H3' 2.90
&rst
ixpk= 0, nxpk= 0, iat= 47, 27, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 2 RGUA H8 1 RGUA H4' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 47, 7, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 2 RGUA H8 1 RGUA Q5' 5.90
&rst
ixpk= 0, nxpk= 0, iat= 47, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2= 4, 5,
&end
#
# 2 RGUA H8 1 RGUA H8 5.20
&rst
ixpk= 0, nxpk= 0, iat= 47, 13, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 2 RGUA H1 3 RGUA H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 53, 81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 RGUA H1 3 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 53, 87, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 2 RGUA H1 27 RCYT H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 53, 845, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 2 RGUA H1 27 RCYT H6 5.90
&rst
ixpk= 0, nxpk= 0, iat= 53, 848, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 2 RGUA H1 27 RCYT H5 5.20
&rst
ixpk= 0, nxpk= 0, iat= 53, 850, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 2 RGUA H1 27 RCYT H41 2.70
&rst
ixpk= 0, nxpk= 0, iat= 53, 853, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 2 RGUA H1 27 RCYT H42 4.20
&rst
ixpk= 0, nxpk= 0, iat= 53, 854, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 RGUA H1' 3 RGUA H8 3.60
&rst
ixpk= 0, nxpk= 0, iat= 78, 81, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 3 RGUA H2' 3 RGUA H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 97, 81, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 3 RGUA H3' 3 RGUA H8 3.30
&rst
ixpk= 0, nxpk= 0, iat= 95, 81, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 3 RGUA H4' 3 RGUA H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 75, 81, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 3 RGUA Q5' 3 RGUA H8 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 72, 73,
&end
#
# 3 RGUA H8 2 RGUA H1' 4.60
&rst
ixpk= 0, nxpk= 0, iat= 81, 44, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 3 RGUA H8 2 RGUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 81, 63, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 3 RGUA H8 2 RGUA H3' 2.90
&rst
ixpk= 0, nxpk= 0, iat= 81, 61, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 3 RGUA H8 2 RGUA H4' 5.40
&rst
ixpk= 0, nxpk= 0, iat= 81, 41, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 3 RGUA H8 2 RGUA Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 38, 39,
&end
#
# 3 RGUA H1 4 RADE H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 112, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 RGUA H1 4 RADE H8 6.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 115, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 RGUA H1 4 RADE H61 5.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 RGUA H1 4 RADE H62 4.80
&rst
ixpk= 0, nxpk= 0, iat= 87, 121, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 3 RGUA H1 4 RADE H2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 87, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 RGUA H1 25 URA H3 4.60
&rst
ixpk= 0, nxpk= 0, iat= 87, 793, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 3 RGUA H1 26 RCYT H1' 5.20
&rst
ixpk= 0, nxpk= 0, iat= 87, 814, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 3 RGUA H1 26 RCYT H6 6.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 817, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 3 RGUA H1 26 RCYT H5 5.20
&rst
ixpk= 0, nxpk= 0, iat= 87, 819, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 3 RGUA H1 26 RCYT H41 2.70
&rst
ixpk= 0, nxpk= 0, iat= 87, 822, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 3 RGUA H1 26 RCYT H42 4.20
&rst
ixpk= 0, nxpk= 0, iat= 87, 823, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 3 RGUA H1 27 RCYT H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 3 RGUA H1 27 RCYT H41 4.00
&rst
ixpk= 0, nxpk= 0, iat= 87, 853, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 3 RGUA H1 27 RCYT H42 4.60
&rst
ixpk= 0, nxpk= 0, iat= 87, 854, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 3 RGUA H21 4 RADE H1' 3.80
&rst
ixpk= 0, nxpk= 0, iat= 90, 112, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 3 RGUA H21 26 RCYT H1' 4.10
&rst
ixpk= 0, nxpk= 0, iat= 90, 814, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 4 RADE H1' 4 RADE H8 3.60
&rst
ixpk= 0, nxpk= 0, iat= 112, 115, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 4 RADE H2' 4 RADE H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 130, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 4 RADE H3' 4 RADE H8 3.30
&rst
ixpk= 0, nxpk= 0, iat= 128, 115, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 4 RADE H4' 4 RADE H8 4.30
&rst
ixpk= 0, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 4 RADE Q5' 4 RADE H8 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 115, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 106, 107,
&end
#
# 4 RADE H8 3 RGUA H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 115, 78, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 4 RADE H8 3 RGUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 115, 97, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 RADE H8 3 RGUA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 115, 95, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 4 RADE H2 5 URA H1' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 124, 145, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 4 RADE H2 5 URA H6 4.50
&rst
ixpk= 0, nxpk= 0, iat= 124, 148, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 4 RADE H2 5 URA H5 5.50
&rst
ixpk= 0, nxpk= 0, iat= 124, 150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 RADE H2 5 URA H3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 124, 154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 RADE H2 25 URA H3 3.00
&rst
ixpk= 0, nxpk= 0, iat= 124, 793, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 4 RADE H2 25 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 124, 784, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 RADE H61 25 URA H3 4.30
&rst
ixpk= 0, nxpk= 0, iat= 120, 793, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 4 RADE H61 25 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= 120, 789, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 4 RADE H62 25 URA H3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 121, 793, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 URA H6 5 URA H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 148, 145, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 5 URA H6 5 URA H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 148, 160, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 URA H6 5 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 148, 158, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 5 URA H6 5 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 148, 142, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 5 URA H6 5 URA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 139, 140,
&end
#
# 5 URA H6 4 RADE H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 148, 112, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 5 URA H6 4 RADE H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 148, 130, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 5 URA H6 4 RADE H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 148, 128, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 5 URA H5 4 RADE H2' 4.20
&rst
ixpk= 0, nxpk= 0, iat= 150, 130, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 URA H5 4 RADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 150, 128, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 URA H3 6 URA H1' 5.20
&rst
ixpk= 0, nxpk= 0, iat= 154, 175, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 5 URA H3 6 URA H6 4.80
&rst
ixpk= 0, nxpk= 0, iat= 154, 178, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 5 URA H3 6 URA H5 4.40
&rst
ixpk= 0, nxpk= 0, iat= 154, 180, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 5 URA H3 6 URA H3 4.25
&rst
ixpk= 0, nxpk= 0, iat= 154, 184, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 5 URA H3 23 RADE H61 2.70
&rst
ixpk= 0, nxpk= 0, iat= 154, 728, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 5 URA H3 23 RADE H62 4.20
&rst
ixpk= 0, nxpk= 0, iat= 154, 729, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 5 URA H3 23 RADE H2 3.15
&rst
ixpk= 0, nxpk= 0, iat= 154, 732, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 5 URA H3 24 RCYT H41 2.70
&rst
ixpk= 0, nxpk= 0, iat= 154, 761, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 5 URA H3 24 RCYT H42 4.20
&rst
ixpk= 0, nxpk= 0, iat= 154, 762, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 6 URA H6 6 URA H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 178, 175, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 6 URA H6 6 URA H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 178, 190, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 URA H6 6 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 178, 188, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 6 URA H6 6 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 178, 172, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 6 URA H6 6 URA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 169, 170,
&end
#
# 6 URA H6 5 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 178, 145, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 6 URA H6 5 URA H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 178, 160, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 6 URA H6 5 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 178, 158, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 6 URA H5 5 URA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 160, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 URA H5 5 URA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 180, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 6 URA H3 7 URA H1' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 184, 205, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 6 URA H3 7 URA H6 4.80
&rst
ixpk= 0, nxpk= 0, iat= 184, 208, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 6 URA H3 7 URA H5 4.25
&rst
ixpk= 0, nxpk= 0, iat= 184, 210, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 6 URA H3 7 URA H3 4.35
&rst
ixpk= 0, nxpk= 0, iat= 184, 214, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 6 URA H3 23 RADE H2 4.10
&rst
ixpk= 0, nxpk= 0, iat= 184, 732, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 6 URA H3 23 RADE H61 3.50
&rst
ixpk= 0, nxpk= 0, iat= 184, 728, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 URA H3 23 RADE H62 4.00
&rst
ixpk= 0, nxpk= 0, iat= 184, 729, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 URA H6 7 URA H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 208, 205, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 URA H6 7 URA H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 208, 220, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 URA H6 7 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 7 URA H6 7 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 208, 202, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 7 URA H6 7 URA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 199, 200,
&end
#
# 7 URA H6 6 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 208, 175, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 URA H6 6 URA H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 208, 190, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 7 URA H6 6 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 208, 188, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 7 URA H5 6 URA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 210, 190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 URA H5 6 URA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 210, 188, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 URA H3 8 RCYT H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 214, 238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 URA H3 8 RCYT H5 4.40
&rst
ixpk= 0, nxpk= 0, iat= 214, 240, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 7 URA H3 8 RCYT H41 4.00
&rst
ixpk= 0, nxpk= 0, iat= 214, 243, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 7 URA H3 8 RCYT H42 4.20
&rst
ixpk= 0, nxpk= 0, iat= 214, 244, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 7 URA H3 20 RGUA H1 4.50
&rst
ixpk= 0, nxpk= 0, iat= 214, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 URA H3 21 RADE H61 3.00
&rst
ixpk= 0, nxpk= 0, iat= 214, 662, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 7 URA H3 21 RADE H62 4.50
&rst
ixpk= 0, nxpk= 0, iat= 214, 663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 7 URA H3 21 RADE H2 2.50
&rst
ixpk= 0, nxpk= 0, iat= 214, 666, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 8 RCYT H6 8 RCYT H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 238, 235, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 8 RCYT H6 8 RCYT H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 238, 251, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 8 RCYT H6 8 RCYT H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 238, 249, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 RCYT H6 8 RCYT H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 238, 232, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 8 RCYT H6 8 RCYT Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 229, 230,
&end
#
# 8 RCYT H6 7 URA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 238, 205, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 8 RCYT H6 7 URA H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 238, 220, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 8 RCYT H6 7 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 238, 218, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 8 RCYT H5 7 URA H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 RCYT H5 7 URA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 8 RCYT H41 20 RGUA H1 2.80
&rst
ixpk= 0, nxpk= 0, iat= 243, 629, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 RCYT H42 20 RGUA H1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 244, 629, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 9 RCYT H6 9 RCYT H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 269, 266, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 9 RCYT H6 9 RCYT H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 269, 282, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 RCYT H6 9 RCYT H3' 3.80
&rst
ixpk= 0, nxpk= 0, iat= 269, 280, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 9 RCYT H6 9 RCYT H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 269, 263, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 RCYT H6 9 RCYT Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 260, 261,
&end
#
# 9 RCYT H6 8 RCYT H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 269, 235, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 9 RCYT H6 8 RCYT H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 269, 251, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 9 RCYT H6 8 RCYT H3' 3.70
&rst
ixpk= 0, nxpk= 0, iat= 269, 249, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 9 RCYT H5 8 RCYT H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 271, 251, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 RCYT H5 8 RCYT H3' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 271, 249, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 RCYT H41 19 RGUA H1 3.00
&rst
ixpk= 0, nxpk= 0, iat= 274, 595, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 9 RCYT H42 19 RGUA H1 4.40
&rst
ixpk= 0, nxpk= 0, iat= 275, 595, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 9 RCYT H41 19 RGUA H21 5.20
&rst
ixpk= 0, nxpk= 0, iat= 274, 598, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 10 RCYT H6 10 RCYT H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 300, 297, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 RCYT H6 10 RCYT H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 300, 313, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 10 RCYT H6 10 RCYT H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 311, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 RCYT H6 10 RCYT H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 300, 294, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 10 RCYT H6 10 RCYT Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 291, 292,
&end
#
# 10 RCYT H6 9 RCYT H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 300, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 RCYT H6 9 RCYT H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 282, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 10 RCYT H6 9 RCYT H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 300, 280, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 RCYT H5 9 RCYT H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 10 RCYT H5 9 RCYT H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 302, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 10 RCYT H41 18 RGUA H1 2.70
&rst
ixpk= 0, nxpk= 0, iat= 305, 561, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 10 RCYT H42 18 RGUA H1 5.30
&rst
ixpk= 0, nxpk= 0, iat= 306, 561, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 10 RCYT H41 19 RGUA H21 4.90
&rst
ixpk= 0, nxpk= 0, iat= 305, 598, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 11 RCYT H6 11 RCYT H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 RCYT H6 11 RCYT H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 344, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 RCYT H6 11 RCYT H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 331, 342, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 11 RCYT H1' 12 RADE H5' 5.60
&rst
ixpk= 0, nxpk= 0, iat= 328, 353, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 11 RCYT H1' 12 RADE H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 328, 362, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 RCYT H1' 12 RADE H62 4.80
&rst
ixpk= 0, nxpk= 0, iat= 328, 368, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 11 RCYT H6 12 RADE H8 3.80
&rst
ixpk= 0, nxpk= 0, iat= 331, 362, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 11 RCYT H6 12 RADE H62 5.30
&rst
ixpk= 0, nxpk= 0, iat= 331, 368, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 11 RCYT H6 12 RADE H2' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 331, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 RCYT H5 12 RADE H8 4.50
&rst
ixpk= 0, nxpk= 0, iat= 333, 362, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 RCYT H5 12 RADE H62 4.80
&rst
ixpk= 0, nxpk= 0, iat= 333, 368, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 11 RCYT H41 12 RADE H61 4.40
&rst
ixpk= 0, nxpk= 0, iat= 336, 367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 11 RCYT H41 12 RADE H62 3.20
&rst
ixpk= 0, nxpk= 0, iat= 336, 368, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 11 RCYT H41 18 RGUA H1 3.50
&rst
ixpk= 0, nxpk= 0, iat= 336, 561, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 RCYT H41 18 RGUA H21 4.50
&rst
ixpk= 0, nxpk= 0, iat= 336, 564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 RCYT H41 18 RGUA H22 5.00
&rst
ixpk= 0, nxpk= 0, iat= 336, 565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 11 RCYT H42 18 RGUA H1 4.20
&rst
ixpk= 0, nxpk= 0, iat= 337, 561, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 12 RADE H8 12 RADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 362, 359, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 RADE H8 12 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 362, 377, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 12 RADE H8 12 RADE H3' 4.40
&rst
ixpk= 0, nxpk= 0, iat= 362, 375, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 12 RADE H8 12 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 353, 354,
&end
#
# 12 RADE H8 11 RCYT H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 362, 328, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 12 RADE H8 11 RCYT H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 362, 344, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 12 RADE H8 11 RCYT H3' 3.80
&rst
ixpk= 0, nxpk= 0, iat= 362, 342, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 RADE H1' 13 RADE Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 386, 387,
&end
#
# 12 RADE H1' 13 RADE H4' 3.80
&rst
ixpk= 0, nxpk= 0, iat= 359, 389, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 12 RADE H2 14 RADE Q5' 3.20
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 419, 420,
&end
#
# 13 RADE H8 13 RADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 395, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 RADE H8 13 RADE H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 410, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 RADE H8 13 RADE H3' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 395, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 RADE H8 13 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 386, 387,
&end
#
# 13 RADE H8 14 RADE H61 5.20
&rst
ixpk= 0, nxpk= 0, iat= 395, 433, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 13 RADE H8 14 RADE H62 4.00
&rst
ixpk= 0, nxpk= 0, iat= 395, 434, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 RADE H61 14 RADE H61 4.00
&rst
ixpk= 0, nxpk= 0, iat= 400, 433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 13 RADE H61 14 RADE H62 5.00
&rst
ixpk= 0, nxpk= 0, iat= 400, 434, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 13 RADE H62 14 RADE H61 3.30
&rst
ixpk= 0, nxpk= 0, iat= 401, 433, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 13 RADE H62 14 RADE H62 3.80
&rst
ixpk= 0, nxpk= 0, iat= 401, 434, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 14 RADE H8 14 RADE H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 RADE H8 14 RADE H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 443, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 RADE H8 14 RADE H3' 4.40
&rst
ixpk= 0, nxpk= 0, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 14 RADE H8 14 RADE Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 419, 420,
&end
#
# 14 RADE H8 13 RADE H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 428, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 RADE H8 13 RADE H2' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 428, 410, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 RADE H8 13 RADE H3' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 428, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 RADE H2 13 RADE H2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 437, 404, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 14 RADE H8 13 RADE H8 4.80
&rst
ixpk= 0, nxpk= 0, iat= 428, 395, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 RADE H1' 15 URA H4' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 425, 455, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 14 RADE H1' 15 URA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 425, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 RADE H8 15 URA H1' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 428, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 RADE H62 15 URA H3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 434, 467, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 RADE H2 16 RGUA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 482, 483,
&end
#
# 15 URA H6 15 URA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 461, 473, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 URA H6 15 URA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 461, 471, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 URA H6 15 URA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 461, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 15 URA H6 15 URA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 452, 453,
&end
#
# 15 URA H1' 16 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 482, 483,
&end
#
# 16 RGUA H8 16 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 491, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 RGUA H8 16 RGUA H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 491, 507, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 16 RGUA H8 16 RGUA H3' 5.30
&rst
ixpk= 0, nxpk= 0, iat= 491, 505, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 16 RGUA H8 16 RGUA Q5' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 482, 483,
&end
#
# 16 RGUA H1' 17 URA H6 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488, 525, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 RGUA H1' 17 URA H5 4.80
&rst
ixpk= 0, nxpk= 0, iat= 488, 527, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 URA H6 17 URA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 525, 522, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 URA H6 17 URA H2' 4.50
&rst
ixpk= 0, nxpk= 0, iat= 525, 537, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 URA H6 17 URA H3' 5.60
&rst
ixpk= 0, nxpk= 0, iat= 525, 535, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 17 URA H6 17 URA Q5' 6.00
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 516, 517,
&end
#
# 17 URA H1' 18 RGUA Q5' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 546, 547,
&end
#
# 18 RGUA H8 18 RGUA H1' 3.90
&rst
ixpk= 0, nxpk= 0, iat= 555, 552, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 RGUA H8 18 RGUA H2' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 555, 571, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 18 RGUA H8 18 RGUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 555, 569, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 18 RGUA H8 18 RGUA H4' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 555, 549, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 18 RGUA H8 18 RGUA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 546, 547,
&end
#
# 19 RGUA H8 19 RGUA H1' 3.80
&rst
ixpk= 0, nxpk= 0, iat= 589, 586, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 19 RGUA H8 19 RGUA H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 589, 605, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 19 RGUA H8 19 RGUA H3' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 589, 603, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 RGUA H8 19 RGUA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 589, 583, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 19 RGUA H8 19 RGUA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 580, 581,
&end
#
# 19 RGUA H8 18 RGUA H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 589, 552, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 19 RGUA H8 18 RGUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 589, 571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 19 RGUA H8 18 RGUA H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 589, 569, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 RGUA H8 20 RGUA H1' 3.90
&rst
ixpk= 0, nxpk= 0, iat= 623, 620, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 20 RGUA H8 20 RGUA H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 623, 639, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 RGUA H8 20 RGUA H3' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 623, 637, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 20 RGUA H8 20 RGUA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 623, 617, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 20 RGUA H8 20 RGUA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 614, 615,
&end
#
# 20 RGUA H8 19 RGUA H1' 5.10
&rst
ixpk= 0, nxpk= 0, iat= 623, 586, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 20 RGUA H8 19 RGUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 623, 605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 20 RGUA H8 19 RGUA H3' 3.80
&rst
ixpk= 0, nxpk= 0, iat= 623, 603, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 RADE H8 21 RADE H1' 3.90
&rst
ixpk= 0, nxpk= 0, iat= 657, 654, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 21 RADE H8 21 RADE H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 21 RADE H8 21 RADE H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 657, 670, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 21 RADE H8 21 RADE H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 657, 651, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 21 RADE H8 21 RADE Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 657, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 648, 649,
&end
#
# 21 RADE H8 20 RGUA H1' 5.20
&rst
ixpk= 0, nxpk= 0, iat= 657, 620, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 21 RADE H8 20 RGUA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 657, 639, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 21 RADE H8 20 RGUA H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 657, 637, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 RADE H2 8 RCYT H1' 4.40
&rst
ixpk= 0, nxpk= 0, iat= 666, 235, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 22 RADE H8 22 RADE H1' 3.90
&rst
ixpk= 0, nxpk= 0, iat= 690, 687, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 22 RADE H8 22 RADE H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 690, 705, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 22 RADE H8 22 RADE H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 690, 703, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 22 RADE H8 22 RADE H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 690, 684, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 22 RADE H8 22 RADE Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 681, 682,
&end
#
# 22 RADE H8 21 RADE H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 690, 654, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 22 RADE H8 21 RADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 690, 672, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 22 RADE H8 21 RADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 690, 670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 RADE H2 7 URA H1' 4.40
&rst
ixpk= 0, nxpk= 0, iat= 699, 205, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 23 RADE H8 23 RADE H1' 3.90
&rst
ixpk= 0, nxpk= 0, iat= 723, 720, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 23 RADE H8 23 RADE H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 723, 738, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 RADE H8 23 RADE H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 723, 736, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 23 RADE H8 23 RADE H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 723, 717, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 RADE H8 23 RADE Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 714, 715,
&end
#
# 23 RADE H8 22 RADE H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 723, 687, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 23 RADE H8 22 RADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 723, 705, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 23 RADE H8 22 RADE H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 723, 703, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 23 RADE H2 6 URA H1' 4.40
&rst
ixpk= 0, nxpk= 0, iat= 732, 175, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 24 RCYT H6 24 RCYT H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 756, 753, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 24 RCYT H6 24 RCYT H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 756, 769, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 RCYT H6 24 RCYT H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 756, 767, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 24 RCYT H6 24 RCYT H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 756, 750, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 RCYT H6 24 RCYT Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 756, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 747, 748,
&end
#
# 24 RCYT H6 23 RADE H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 756, 720, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 24 RCYT H6 23 RADE H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 756, 738, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 24 RCYT H6 23 RADE H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 756, 736, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 URA H6 25 URA H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 787, 784, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 25 URA H6 25 URA H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 787, 799, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 URA H6 25 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 787, 797, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 25 URA H6 25 URA H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 787, 781, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 URA H6 25 URA Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 787, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 778, 779,
&end
#
# 25 URA H6 24 RCYT H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 787, 753, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 25 URA H6 24 RCYT H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 787, 769, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 URA H6 24 RCYT H3' 3.50
&rst
ixpk= 0, nxpk= 0, iat= 787, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 RCYT H6 26 RCYT H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 817, 814, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 RCYT H6 26 RCYT H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 817, 830, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 RCYT H6 26 RCYT H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 817, 828, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 RCYT H6 26 RCYT H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 817, 811, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 RCYT H6 26 RCYT Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 808, 809,
&end
#
# 26 RCYT H6 25 URA H1' 4.90
&rst
ixpk= 0, nxpk= 0, iat= 817, 784, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 26 RCYT H6 25 URA H2' 3.00
&rst
ixpk= 0, nxpk= 0, iat= 817, 799, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 26 RCYT H6 25 URA H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 817, 797, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 27 RCYT H6 27 RCYT H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 848, 845, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 27 RCYT H6 27 RCYT H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 848, 861, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 RCYT H6 27 RCYT H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 848, 859, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 27 RCYT H6 27 RCYT H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 848, 842, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 27 RCYT H6 27 RCYT Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 839, 840,
&end
#
# 27 RCYT H6 26 RCYT H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 848, 814, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 RCYT H6 26 RCYT H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 848, 830, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 27 RCYT H6 26 RCYT H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 848, 828, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 27 RCYT H5 26 RCYT H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 27 RCYT H5 26 RCYT H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 850, 828, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 RCYT H6 28 RCYT H1' 3.60
&rst
ixpk= 0, nxpk= 0, iat= 879, 876, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 28 RCYT H6 28 RCYT H2' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 879, 892, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 RCYT H6 28 RCYT H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 879, 890, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 RCYT H6 28 RCYT H4' 4.30
&rst
ixpk= 0, nxpk= 0, iat= 879, 873, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 RCYT H6 28 RCYT Q5' 4.80
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 870, 871,
&end
#
# 28 RCYT H6 27 RCYT H1' 5.00
&rst
ixpk= 0, nxpk= 0, iat= 879, 845, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 28 RCYT H6 27 RCYT H2' 2.50
&rst
ixpk= 0, nxpk= 0, iat= 879, 861, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 28 RCYT H6 27 RCYT H3' 3.30
&rst
ixpk= 0, nxpk= 0, iat= 879, 859, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 28 RCYT H5 27 RCYT H2' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 881, 861, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 28 RCYT H5 27 RCYT H3' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 881, 859, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 31 PHE H 31 PHE QB 3.07
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 918, 919,
&end
#
# 31 PHE H 31 PHE QD 4.01
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 922, 930,
&end
#
# 31 PHE H 32 ASN H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 914, 934, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 31 PHE HA 31 PHE QB 2.64
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2= 918, 919,
&end
#
# 31 PHE HA 31 PHE QD 3.17
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 922, 930,
&end
#
# 31 PHE HA 32 ASN HD22 5.42
&rst
ixpk= 0, nxpk= 0, iat= 916, 943, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 31 PHE HA 32 ASN QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 938, 939,
&end
#
# 31 PHE HA 35 GLY QA 5.20
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 992, 993,
&end
#
# 31 PHE HA 36 GLY HA3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 916,1000, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 31 PHE HA 136 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 916,2519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PHE HB2 32 ASN H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 918, 934, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 31 PHE HB2 35 GLY QA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 992, 993,
&end
#
# 31 PHE HB2 36 GLY H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 918, 997, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 31 PHE HB3 32 ASN H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 31 PHE HB3 35 GLY QA 4.76
&rst
ixpk= 0, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 992, 993,
&end
#
# 31 PHE HB3 36 GLY H 3.90
&rst
ixpk= 0, nxpk= 0, iat= 919, 997, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 31 PHE QB 32 ASN HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 918, 919,
&end
#
# 31 PHE QB 32 ASN HD21 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 918, 919,
&end
#
# 31 PHE QB 32 ASN QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 918, 919,
igr2= 938, 939,
&end
#
# 31 PHE QB 34 PHE QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 918, 919,
igr2= 980, 984,
&end
#
# 31 PHE QB 35 GLY H 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 918, 919,
&end
#
# 31 PHE QB 35 GLY QA 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 918, 919,
igr2= 992, 993,
&end
#
# 31 PHE QB 36 GLY H 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1= 918, 919,
&end
#
# 31 PHE QB 36 GLY HA2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 918, 919,
&end
#
# 31 PHE QB 36 GLY HA3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 918, 919,
&end
#
# 31 PHE QB 37 PRO QD 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 918, 919,
igr2=1005,1006,
&end
#
# 31 PHE QB 136 SER HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 918, 919,
&end
#
# 31 PHE QD 32 ASN H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 922, 930,
&end
#
# 31 PHE QD 32 ASN HA 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 922, 930,
&end
#
# 31 PHE QD 32 ASN HD21 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 922, 930,
&end
#
# 31 PHE QD 35 GLY QA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 922, 930,
igr2= 992, 993,
&end
#
# 31 PHE QD 36 GLY HA2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 922, 930,
&end
#
# 32 ASN H 32 ASN HD21 4.38
&rst
ixpk= 0, nxpk= 0, iat= 934, 944, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 32 ASN H 32 ASN HD22 5.27
&rst
ixpk= 0, nxpk= 0, iat= 934, 943, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 32 ASN H 32 ASN QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 938, 939,
&end
#
# 32 ASN H 33 LYS H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 934, 948, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 32 ASN H 34 PHE H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 934, 970, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 32 ASN H 34 PHE QE 5.37
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 980, 984,
&end
#
# 32 ASN H 35 GLY H 4.47
&rst
ixpk= 0, nxpk= 0, iat= 934, 990, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 32 ASN HA 32 ASN HD21 4.72
&rst
ixpk= 0, nxpk= 0, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 32 ASN HA 32 ASN HD22 4.46
&rst
ixpk= 0, nxpk= 0, iat= 936, 943, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 32 ASN HA 32 ASN QB 2.51
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
igr2= 938, 939,
&end
#
# 32 ASN HA 33 LYS H 3.04
&rst
ixpk= 0, nxpk= 0, iat= 936, 948, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 32 ASN HA 33 LYS HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= 936, 950, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 32 ASN HA 33 LYS QD 4.41
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 958, 959,
&end
#
# 32 ASN HA 33 LYS QG 5.66
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 955, 956,
&end
#
# 32 ASN HA 34 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 980, 984,
&end
#
# 32 ASN HA 35 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 992, 993,
&end
#
# 32 ASN HD21 34 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 944, 970, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 ASN HD21 34 PHE QE 3.44
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 980, 984,
&end
#
# 32 ASN HD21 35 GLY QA 5.30
&rst
ixpk= 0, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 992, 993,
&end
#
# 32 ASN HD21 36 GLY H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 944, 997, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 32 ASN HD21 136 SER HB3 4.71
&rst
ixpk= 0, nxpk= 0, iat= 944,2519, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 32 ASN HD22 34 PHE QE 4.28
&rst
ixpk= 0, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 980, 984,
&end
#
# 32 ASN HD22 36 GLY H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 943, 997, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 32 ASN QB 32 ASN HD21 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1= 938, 939,
&end
#
# 32 ASN QB 32 ASN HD22 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 938, 939,
&end
#
# 32 ASN QB 33 LYS H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 938, 939,
&end
#
# 32 ASN QB 33 LYS HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 938, 939,
&end
#
# 32 ASN QB 33 LYS QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 938, 939,
igr2= 952, 953,
&end
#
# 32 ASN QB 33 LYS QD 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 938, 939,
igr2= 958, 959,
&end
#
# 32 ASN QB 33 LYS QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 938, 939,
igr2= 961, 962,
&end
#
# 32 ASN QB 33 LYS QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 938, 939,
igr2= 955, 956,
&end
#
# 32 ASN QB 34 PHE H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 938, 939,
&end
#
# 32 ASN QB 34 PHE QD 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 938, 939,
igr2= 978, 986,
&end
#
# 32 ASN QB 35 GLY QA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 938, 939,
igr2= 992, 993,
&end
#
# 32 ASN QB 36 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 938, 939,
&end
#
# 33 LYS H 33 LYS QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 952, 953,
&end
#
# 33 LYS H 33 LYS QD 3.08
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 958, 959,
&end
#
# 33 LYS H 33 LYS QG 3.45
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 955, 956,
&end
#
# 33 LYS H 34 PHE H 2.96
&rst
ixpk= 0, nxpk= 0, iat= 948, 970, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 33 LYS H 35 GLY H 4.08
&rst
ixpk= 0, nxpk= 0, iat= 948, 990, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 33 LYS H 35 GLY QA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 948, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 992, 993,
&end
#
# 33 LYS HA 33 LYS QB 2.63
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2= 952, 953,
&end
#
# 33 LYS HA 33 LYS QD 3.74
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 958, 959,
&end
#
# 33 LYS HA 33 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 961, 962,
&end
#
# 33 LYS HA 33 LYS QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 955, 956,
&end
#
# 33 LYS HA 34 PHE HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= 950, 975, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 33 LYS HA 34 PHE QD 5.40
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 978, 986,
&end
#
# 33 LYS HA 35 GLY H 4.38
&rst
ixpk= 0, nxpk= 0, iat= 950, 990, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 33 LYS QB 33 LYS QE 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 952, 953,
igr2= 961, 962,
&end
#
# 33 LYS QB 33 LYS QG 2.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr1= 952, 953,
igr2= 955, 956,
&end
#
# 33 LYS QB 34 PHE H 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 952, 953,
&end
#
# 33 LYS QB 34 PHE HA 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 952, 953,
&end
#
# 33 LYS QB 34 PHE HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 952, 953,
&end
#
# 33 LYS QB 34 PHE QD 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 952, 953,
igr2= 978, 986,
&end
#
# 33 LYS QB 35 GLY H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 952, 953,
&end
#
# 33 LYS QB 144 PHE HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 952, 953,
&end
#
# 33 LYS QD 33 LYS QE 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1= 958, 959,
igr2= 961, 962,
&end
#
# 33 LYS QD 34 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 958, 959,
&end
#
# 33 LYS QD 144 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 958, 959,
&end
#
# 33 LYS QD 144 PHE HB2 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 958, 959,
&end
#
# 33 LYS QD 144 PHE HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2644, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 958, 959,
&end
#
# 33 LYS QE 34 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 961, 962,
&end
#
# 33 LYS QE 144 PHE H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 961, 962,
&end
#
# 33 LYS QE 144 PHE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2641, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 961, 962,
&end
#
# 33 LYS QE 144 PHE HB2 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr1= 961, 962,
&end
#
# 33 LYS QE 145 ASN H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2659, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 961, 962,
&end
#
# 33 LYS QG 33 LYS QD 2.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr1= 955, 956,
igr2= 958, 959,
&end
#
# 33 LYS QG 33 LYS QE 2.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr1= 955, 956,
igr2= 961, 962,
&end
#
# 33 LYS QG 34 PHE H 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 955, 956,
&end
#
# 33 LYS QG 34 PHE HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 955, 956,
&end
#
# 33 LYS QG 34 PHE QD 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 955, 956,
igr2= 978, 986,
&end
#
# 33 LYS QG 144 PHE HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 955, 956,
&end
#
# 33 LYS QG 144 PHE HB3 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2644, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 955, 956,
&end
#
# 33 LYS QG 144 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2651, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 955, 956,
&end
#
# 33 LYS QG 144 PHE QD 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 955, 956,
igr2=2647,2655,
&end
#
# 34 PHE H 34 PHE HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat= 970, 975, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 34 PHE H 34 PHE QD 3.48
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 978, 986,
&end
#
# 34 PHE H 35 GLY H 2.95
&rst
ixpk= 0, nxpk= 0, iat= 970, 990, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 34 PHE H 36 GLY H 4.79
&rst
ixpk= 0, nxpk= 0, iat= 970, 997, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 34 PHE HA 34 PHE HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 972, 974, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 34 PHE HA 34 PHE HB3 2.80
&rst
ixpk= 0, nxpk= 0, iat= 972, 975, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 PHE HA 34 PHE QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 978, 986,
&end
#
# 34 PHE HA 35 GLY H 3.84
&rst
ixpk= 0, nxpk= 0, iat= 972, 990, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 34 PHE HA 35 GLY QA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 992, 993,
&end
#
# 34 PHE HA 36 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 972, 997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 PHE HB2 35 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 974, 990, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 PHE HB3 35 GLY H 4.56
&rst
ixpk= 0, nxpk= 0, iat= 975, 990, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 34 PHE HB3 144 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2647,2655,
&end
#
# 34 PHE QD 35 GLY H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 978, 986,
&end
#
# 34 PHE QD 35 GLY QA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 978, 986,
igr2= 992, 993,
&end
#
# 34 PHE QD 40 GLN HE21 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 978, 986,
&end
#
# 34 PHE QD 40 GLN HE22 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 978, 986,
&end
#
# 34 PHE QD 137 PHE HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2529, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 978, 986,
&end
#
# 34 PHE QD 137 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2530, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 978, 986,
&end
#
# 34 PHE QE 36 GLY HA3 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 980, 984,
&end
#
# 34 PHE QE 37 PRO HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 980, 984,
&end
#
# 34 PHE QE 40 GLN HE21 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 980, 984,
&end
#
# 34 PHE QE 40 GLN HE22 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 980, 984,
&end
#
# 34 PHE QE 136 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 980, 984,
&end
#
# 34 PHE QE 137 PHE HB2 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2529, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 980, 984,
&end
#
# 35 GLY H 35 GLY QA 2.84
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 992, 993,
&end
#
# 35 GLY H 36 GLY H 3.46
&rst
ixpk= 0, nxpk= 0, iat= 990, 997, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 36 GLY H 36 GLY HA2 2.84
&rst
ixpk= 0, nxpk= 0, iat= 997, 999, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 36 GLY H 36 GLY HA3 2.82
&rst
ixpk= 0, nxpk= 0, iat= 997,1000, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 36 GLY H 37 PRO QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1005,1006,
&end
#
# 36 GLY H 38 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1022,1023,
&end
#
# 36 GLY HA2 37 PRO HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 999,1014, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 36 GLY HA2 37 PRO QD 2.75
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2=1005,1006,
&end
#
# 36 GLY HA2 37 PRO QG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1008,1009,
&end
#
# 36 GLY HA2 120 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2266,2267,2268,
&end
#
# 36 GLY HA3 37 PRO HA 4.68
&rst
ixpk= 0, nxpk= 0, iat=1000,1014, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 36 GLY HA3 37 PRO QD 2.58
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=1005,1006,
&end
#
# 36 GLY HA3 37 PRO QG 4.58
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1008,1009,
&end
#
# 36 GLY HA3 38 ARG H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1000,1018, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 GLY HA3 40 GLN HE21 6.00
&rst
ixpk= 0, nxpk= 0, iat=1000,1067, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 37 PRO HA 38 ARG H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1014,1018, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 37 PRO HA 38 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1014,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO HA 38 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1014,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO HA 39 ASP H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1014,1042, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 37 PRO HA 40 GLN H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1014,1054, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 37 PRO HA 40 GLN HB2 4.53
&rst
ixpk= 0, nxpk= 0, iat=1014,1058, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 37 PRO HA 40 GLN HB3 5.45
&rst
ixpk= 0, nxpk= 0, iat=1014,1059, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 37 PRO HA 40 GLN QG 3.67
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1061,1062,
&end
#
# 37 PRO HA 41 GLY H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1014,1071, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 37 PRO HA 43 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1014,1094, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO HA 43 ARG QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1096,1097,
&end
#
# 37 PRO HA 117 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1014, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2231,2232,
&end
#
# 37 PRO HA 137 PHE HZ 5.80
&rst
ixpk= 0, nxpk= 0, iat=1014,2537, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 37 PRO QB 38 ARG H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1011,1012,
&end
#
# 37 PRO QB 38 ARG HA 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1011,1012,
&end
#
# 37 PRO QB 40 GLN H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1054, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1011,1012,
&end
#
# 37 PRO QB 40 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1011,1012,
&end
#
# 37 PRO QB 40 GLN HB2 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1=1011,1012,
&end
#
# 37 PRO QB 40 GLN HE21 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1011,1012,
&end
#
# 37 PRO QB 43 ARG HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1011,1012,
&end
#
# 37 PRO QB 43 ARG HB2 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1011,1012,
&end
#
# 37 PRO QB 43 ARG HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1011,1012,
&end
#
# 37 PRO QB 43 ARG QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1011,1012,
igr2=1099,1100,
&end
#
# 37 PRO QB 43 ARG QG 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1=1011,1012,
igr2=1096,1097,
&end
#
# 37 PRO QB 117 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1011,1012,
&end
#
# 37 PRO QB 117 LYS QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1011,1012,
igr2=2228,2229,
&end
#
# 37 PRO QB 137 PHE HZ 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1011,1012,
&end
#
# 37 PRO QD 38 ARG H 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1005,1006,
&end
#
# 37 PRO QD 38 ARG HA 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1005,1006,
&end
#
# 37 PRO QD 38 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1005,1006,
igr2=1022,1023,
&end
#
# 37 PRO QD 40 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1005,1006,
igr2=1061,1062,
&end
#
# 37 PRO QD 117 LYS HE2 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1005,1006,
&end
#
# 37 PRO QD 117 LYS HE3 5.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1005,1006,
&end
#
# 37 PRO QD 117 LYS QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1=1005,1006,
igr2=2228,2229,
&end
#
# 37 PRO QD 120 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1005,1006,
&end
#
# 37 PRO QG 38 ARG H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1018, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1008,1009,
&end
#
# 37 PRO QG 38 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1008,1009,
&end
#
# 37 PRO QG 40 GLN QG 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1008,1009,
igr2=1061,1062,
&end
#
# 37 PRO QG 43 ARG QG 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1008,1009,
igr2=1096,1097,
&end
#
# 37 PRO QG 117 LYS HE2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1008,1009,
&end
#
# 37 PRO QG 117 LYS HE3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1008,1009,
&end
#
# 37 PRO QG 117 LYS QD 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1008,1009,
igr2=2228,2229,
&end
#
# 37 PRO QG 117 LYS QE 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1008,1009,
igr2=2231,2232,
&end
#
# 37 PRO QG 120 ILE QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1008,1009,
igr2=2266,2267,2268,
&end
#
# 37 PRO QG 121 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1008,1009,
&end
#
# 37 PRO QG 137 PHE QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1008,1009,
igr2=2535,2539,
&end
#
# 38 ARG H 38 ARG HB2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1018,1022, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 38 ARG H 38 ARG HB3 3.27
&rst
ixpk= 0, nxpk= 0, iat=1018,1023, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 38 ARG H 38 ARG QB 2.80
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1022,1023,
&end
#
# 38 ARG H 38 ARG QD 4.82
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1028,1029,
&end
#
# 38 ARG H 38 ARG QG 4.11
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1025,1026,
&end
#
# 38 ARG H 39 ASP H 3.02
&rst
ixpk= 0, nxpk= 0, iat=1018,1042, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 38 ARG H 39 ASP QB 5.28
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1046,1047,
&end
#
# 38 ARG H 40 GLN H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1018,1054, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 38 ARG H 40 GLN HB2 4.27
&rst
ixpk= 0, nxpk= 0, iat=1018,1058, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 38 ARG H 40 GLN HE22 4.47
&rst
ixpk= 0, nxpk= 0, iat=1018,1066, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 38 ARG H 40 GLN QG 5.70
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1061,1062,
&end
#
# 38 ARG H 137 PHE QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2535,2539,
&end
#
# 38 ARG HA 38 ARG QD 3.90
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1028,1029,
&end
#
# 38 ARG HA 38 ARG QG 2.97
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1025,1026,
&end
#
# 38 ARG HA 39 ASP HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=1020,1044, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 38 ARG HB2 38 ARG QD 3.07
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1028,1029,
&end
#
# 38 ARG HB3 38 ARG QD 3.37
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1028,1029,
&end
#
# 38 ARG QB 39 ASP HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1022,1023,
&end
#
# 38 ARG QG 39 ASP HA 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1025,1026,
&end
#
# 38 ARG QG 39 ASP QB 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1025,1026,
igr2=1046,1047,
&end
#
# 39 ASP H 39 ASP QB 3.01
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2=1046,1047,
&end
#
# 39 ASP H 40 GLN H 2.74
&rst
ixpk= 0, nxpk= 0, iat=1042,1054, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 39 ASP HA 39 ASP QB 2.73
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2=1046,1047,
&end
#
# 39 ASP HA 40 GLN H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1044,1054, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 39 ASP QB 40 GLN HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1046,1047,
&end
#
# 40 GLN H 40 GLN HA 2.93
&rst
ixpk= 0, nxpk= 0, iat=1054,1056, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 40 GLN H 40 GLN HB2 3.39
&rst
ixpk= 0, nxpk= 0, iat=1054,1058, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 40 GLN H 40 GLN HB3 3.44
&rst
ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 40 GLN H 40 GLN HE21 4.94
&rst
ixpk= 0, nxpk= 0, iat=1054,1067, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 40 GLN H 40 GLN HE22 4.93
&rst
ixpk= 0, nxpk= 0, iat=1054,1066, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 40 GLN H 40 GLN QG 3.97
&rst
ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1061,1062,
&end
#
# 40 GLN H 41 GLY H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1054,1071, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 40 GLN HA 40 GLN HB2 2.88
&rst
ixpk= 0, nxpk= 0, iat=1056,1058, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 40 GLN HA 40 GLN HE21 4.74
&rst
ixpk= 0, nxpk= 0, iat=1056,1067, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 40 GLN HA 40 GLN HE22 5.17
&rst
ixpk= 0, nxpk= 0, iat=1056,1066, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 40 GLN HA 40 GLN QG 2.99
&rst
ixpk= 0, nxpk= 0, iat=1056, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1061,1062,
&end
#
# 40 GLN HB2 40 GLN HE21 4.41
&rst
ixpk= 0, nxpk= 0, iat=1058,1067, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 40 GLN HB2 40 GLN QG 2.40
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1061,1062,
&end
#
# 40 GLN HB2 41 GLY H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1058,1071, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 40 GLN HB2 41 GLY QA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1073,1074,
&end
#
# 40 GLN HB2 43 ARG HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1058,1093, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 40 GLN HB2 43 ARG QD 4.46
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1099,1100,
&end
#
# 40 GLN HB2 49 ASP HB2 5.90
&rst
ixpk= 0, nxpk= 0, iat=1058,1189, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 40 GLN HB2 49 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 GLN HB2 49 ASP QB 4.74
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1189,1190,
&end
#
# 40 GLN HB3 40 GLN QG 2.44
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr2=1061,1062,
&end
#
# 40 GLN HB3 41 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1059,1071, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 40 GLN HB3 43 ARG HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1059,1093, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 40 GLN HB3 43 ARG HB3 2.97
&rst
ixpk= 0, nxpk= 0, iat=1059,1094, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 40 GLN HB3 43 ARG QG 5.33
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1096,1097,
&end
#
# 40 GLN HB3 49 ASP HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1059,1187, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 40 GLN HB3 49 ASP HB2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1059,1189, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 40 GLN HB3 49 ASP HB3 4.60
&rst
ixpk= 0, nxpk= 0, iat=1059,1190, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 40 GLN HB3 49 ASP QB 4.01
&rst
ixpk= 0, nxpk= 0, iat=1059, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1189,1190,
&end
#
# 40 GLN HE21 43 ARG QG 5.29
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1096,1097,
&end
#
# 40 GLN HE21 49 ASP QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1189,1190,
&end
#
# 40 GLN HE21 137 PHE HZ 5.07
&rst
ixpk= 0, nxpk= 0, iat=1067,2537, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 40 GLN HE21 137 PHE QD 3.55
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2533,2541,
&end
#
# 40 GLN HE21 137 PHE QE 3.16
&rst
ixpk= 0, nxpk= 0, iat=1067, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2535,2539,
&end
#
# 40 GLN HE22 137 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1066,2537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 GLN HE22 137 PHE QD 3.78
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2533,2541,
&end
#
# 40 GLN HE22 137 PHE QE 4.20
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2535,2539,
&end
#
# 40 GLN QG 40 GLN HE21 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1061,1062,
&end
#
# 40 GLN QG 40 GLN HE22 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1061,1062,
&end
#
# 40 GLN QG 41 GLY H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1061,1062,
&end
#
# 40 GLN QG 41 GLY QA 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1061,1062,
igr2=1073,1074,
&end
#
# 40 GLN QG 43 ARG HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1061,1062,
&end
#
# 40 GLN QG 43 ARG QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1061,1062,
igr2=1099,1100,
&end
#
# 40 GLN QG 43 ARG QG 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1061,1062,
igr2=1096,1097,
&end
#
# 40 GLN QG 49 ASP HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1061,1062,
&end
#
# 40 GLN QG 49 ASP HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1061,1062,
&end
#
# 40 GLN QG 49 ASP HB3 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1061,1062,
&end
#
# 40 GLN QG 49 ASP QB 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1061,1062,
igr2=1189,1190,
&end
#
# 40 GLN QG 50 ASN H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1061,1062,
&end
#
# 41 GLY H 41 GLY QA 2.71
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1073,1074,
&end
#
# 41 GLY H 42 SER H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1071,1078, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 41 GLY H 43 ARG H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1071,1089, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 41 GLY H 49 ASP QB 4.91
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1189,1190,
&end
#
# 41 GLY QA 42 SER H 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr1=1073,1074,
&end
#
# 41 GLY QA 42 SER HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1073,1074,
&end
#
# 41 GLY QA 43 ARG H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1073,1074,
&end
#
# 41 GLY QA 43 ARG QD 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1073,1074,
igr2=1099,1100,
&end
#
# 41 GLY QA 49 ASP HA 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1073,1074,
&end
#
# 41 GLY QA 49 ASP HB2 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1073,1074,
&end
#
# 41 GLY QA 49 ASP HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1073,1074,
&end
#
# 42 SER H 42 SER QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1082,1083,
&end
#
# 42 SER H 42 SER QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1082,1083,
&end
#
# 42 SER H 43 ARG H 3.53
&rst
ixpk= 0, nxpk= 0, iat=1078,1089, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 42 SER H 43 ARG HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1078,1094, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 42 SER H 49 ASP HA 5.77
&rst
ixpk= 0, nxpk= 0, iat=1078,1187, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 42 SER H 49 ASP QB 5.05
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1189,1190,
&end
#
# 42 SER HA 42 SER QB 2.55
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2=1082,1083,
&end
#
# 42 SER HA 43 ARG H 3.10
&rst
ixpk= 0, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 42 SER HA 44 HIS HD2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1080,1126, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 42 SER HA 49 ASP QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1189,1190,
&end
#
# 42 SER HB2 43 ARG H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1082,1089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 42 SER HB2 44 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 SER HB2 49 ASP HA 5.90
&rst
ixpk= 0, nxpk= 0, iat=1082,1187, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 42 SER HB2 49 ASP HB2 5.70
&rst
ixpk= 0, nxpk= 0, iat=1082,1189, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 42 SER HB2 49 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1082,1190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 SER HB3 43 ARG H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1083,1089, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 42 SER HB3 44 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1083,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 SER HB3 49 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1083,1187, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 SER HB3 49 ASP HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1083,1189, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 42 SER HB3 49 ASP HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat=1083,1190, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 42 SER QB 43 ARG H 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1089, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1082,1083,
&end
#
# 42 SER QB 43 ARG HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1091, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1082,1083,
&end
#
# 42 SER QB 43 ARG HB3 5.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1082,1083,
&end
#
# 42 SER QB 43 ARG QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1082,1083,
igr2=1099,1100,
&end
#
# 42 SER QB 44 HIS HD2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1082,1083,
&end
#
# 42 SER QB 49 ASP HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1082,1083,
&end
#
# 42 SER QB 49 ASP QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1082,1083,
igr2=1189,1190,
&end
#
# 42 SER QB 49 ASP QB 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1082,1083,
igr2=1189,1190,
&end
#
# 43 ARG H 43 ARG HB2 3.93
&rst
ixpk= 0, nxpk= 0, iat=1089,1093, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 43 ARG H 43 ARG HB3 3.52
&rst
ixpk= 0, nxpk= 0, iat=1089,1094, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 43 ARG H 43 ARG QD 4.66
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1099,1100,
&end
#
# 43 ARG H 43 ARG QG 3.60
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1096,1097,
&end
#
# 43 ARG H 44 HIS HD2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1089,1126, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 43 ARG H 49 ASP QB 4.38
&rst
ixpk= 0, nxpk= 0, iat=1089, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1189,1190,
&end
#
# 43 ARG HA 43 ARG HB2 2.58
&rst
ixpk= 0, nxpk= 0, iat=1091,1093, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 43 ARG HA 44 HIS HD2 5.09
&rst
ixpk= 0, nxpk= 0, iat=1091,1126, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 43 ARG HA 44 HIS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1117,1118,
&end
#
# 43 ARG HA 46 SER QB 4.31
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1146,1147,
&end
#
# 43 ARG HA 49 ASP QB 2.92
&rst
ixpk= 0, nxpk= 0, iat=1091, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1189,1190,
&end
#
# 43 ARG HB2 43 ARG QG 2.62
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2=1096,1097,
&end
#
# 43 ARG HB2 49 ASP HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat=1093,1189, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 43 ARG HB2 49 ASP HB3 4.41
&rst
ixpk= 0, nxpk= 0, iat=1093,1190, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 43 ARG HB2 49 ASP QB 3.84
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1189,1190,
&end
#
# 43 ARG HB3 43 ARG QD 3.22
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1099,1100,
&end
#
# 43 ARG HB3 44 HIS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1094,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG HB3 49 ASP HA 5.60
&rst
ixpk= 0, nxpk= 0, iat=1094,1187, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 43 ARG HB3 49 ASP QB 4.79
&rst
ixpk= 0, nxpk= 0, iat=1094, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1189,1190,
&end
#
# 43 ARG HB3 137 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1094,2537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG QD 44 HIS HD2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1099,1100,
&end
#
# 43 ARG QD 49 ASP HB2 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1099,1100,
&end
#
# 43 ARG QD 49 ASP HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1099,1100,
&end
#
# 43 ARG QD 49 ASP QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1099,1100,
igr2=1189,1190,
&end
#
# 43 ARG QG 44 HIS HD2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1096,1097,
&end
#
# 43 ARG QG 44 HIS QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1096,1097,
igr2=1117,1118,
&end
#
# 43 ARG QG 49 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1097,
&end
#
# 43 ARG QG 49 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1096,1097,
&end
#
# 44 HIS HB2 45 ASP H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1117,1130, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 44 HIS HB3 45 ASP H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1118,1130, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 44 HIS QB 44 HIS HD2 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1117,1118,
&end
#
# 44 HIS QB 45 ASP H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1130, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1117,1118,
&end
#
# 45 ASP H 46 SER H 3.10
&rst
ixpk= 0, nxpk= 0, iat=1130,1142, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 45 ASP HA 46 SER H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1132,1142, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 45 ASP HA 46 SER HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=1132,1144, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 45 ASP HA 46 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1146,1147,
&end
#
# 45 ASP QB 46 SER QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1134,1135,
igr2=1146,1147,
&end
#
# 46 SER H 46 SER QB 3.50
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1146,1147,
&end
#
# 46 SER H 47 GLU H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1142,1153, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 46 SER H 47 GLU QB 5.64
&rst
ixpk= 0, nxpk= 0, iat=1142, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1157,1158,
&end
#
# 46 SER HA 46 SER HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat=1144,1146, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 46 SER HA 46 SER HB3 3.01
&rst
ixpk= 0, nxpk= 0, iat=1144,1147, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 46 SER HA 46 SER QB 2.41
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,
igr2=1146,1147,
&end
#
# 46 SER HA 47 GLU H 3.53
&rst
ixpk= 0, nxpk= 0, iat=1144,1153, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 46 SER HA 47 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1157,1158,
&end
#
# 46 SER HA 47 GLU QG 3.84
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1160,1161,
&end
#
# 46 SER HA 48 GLN H 4.92
&rst
ixpk= 0, nxpk= 0, iat=1144,1168, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 46 SER HB2 47 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1160,1161,
&end
#
# 46 SER HB2 48 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1146,1172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 SER HB2 48 GLN HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat=1146,1173, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 46 SER HB2 48 GLN QG 5.90
&rst
ixpk= 0, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1175,1176,
&end
#
# 46 SER HB3 47 GLU QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1160,1161,
&end
#
# 46 SER HB3 48 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1147,1172, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 SER HB3 48 GLN HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat=1147,1173, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 46 SER HB3 48 GLN QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1175,1176,
&end
#
# 46 SER QB 47 GLU H 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1146,1147,
&end
#
# 46 SER QB 48 GLN HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1146,1147,
&end
#
# 46 SER QB 48 GLN HB3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1146,1147,
&end
#
# 46 SER QB 49 ASP HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1146,1147,
&end
#
# 46 SER QB 49 ASP QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1146,1147,
igr2=1189,1190,
&end
#
# 47 GLU H 47 GLU HA 2.87
&rst
ixpk= 0, nxpk= 0, iat=1153,1155, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 47 GLU H 47 GLU HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1153,1157, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 47 GLU H 47 GLU HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat=1153,1158, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 47 GLU H 47 GLU QG 3.11
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1160,1161,
&end
#
# 47 GLU H 47 GLU QG 3.11
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1160,1161,
&end
#
# 47 GLU H 48 GLN H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1153,1168, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 47 GLU HA 47 GLU QB 2.53
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,
igr2=1157,1158,
&end
#
# 47 GLU HA 47 GLU QG 3.18
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1160,1161,
&end
#
# 47 GLU HA 48 GLN H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1155,1168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 GLU HB2 47 GLU QG 2.72
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2=1160,1161,
&end
#
# 47 GLU HB3 47 GLU QG 2.72
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr2=1160,1161,
&end
#
# 47 GLU QB 47 GLU QG 2.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
igr1=1157,1158,
igr2=1160,1161,
&end
#
# 47 GLU QG 48 GLN H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1160,1161,
&end
#
# 48 GLN H 48 GLN HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 48 GLN H 48 GLN HB3 2.94
&rst
ixpk= 0, nxpk= 0, iat=1168,1173, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 48 GLN H 49 ASP H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1168,1185, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 48 GLN HA 48 GLN HB2 2.72
&rst
ixpk= 0, nxpk= 0, iat=1170,1172, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 48 GLN HA 48 GLN HE21 4.08
&rst
ixpk= 0, nxpk= 0, iat=1170,1181, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 48 GLN HA 48 GLN QG 2.83
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1175,1176,
&end
#
# 48 GLN HA 50 ASN HD21 5.12
&rst
ixpk= 0, nxpk= 0, iat=1170,1207, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 48 GLN HA 114 PRO HB2 4.80
&rst
ixpk= 0, nxpk= 0, iat=1170,2190, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 48 GLN HA 117 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1170,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HB2 48 GLN HE21 4.72
&rst
ixpk= 0, nxpk= 0, iat=1172,1181, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 48 GLN HB2 48 GLN HE22 4.96
&rst
ixpk= 0, nxpk= 0, iat=1172,1180, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 48 GLN HB2 48 GLN QG 2.55
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2=1175,1176,
&end
#
# 48 GLN HB2 49 ASP H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1172,1185, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 48 GLN HB2 49 ASP HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1172,1187, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 48 GLN HB2 50 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1172,1206, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 GLN HB2 114 PRO HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1172,2193, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 48 GLN HB2 114 PRO HB3 3.29
&rst
ixpk= 0, nxpk= 0, iat=1172,2191, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 48 GLN HB3 48 GLN HE21 4.56
&rst
ixpk= 0, nxpk= 0, iat=1173,1181, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 48 GLN HB3 48 GLN QG 2.40
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr2=1175,1176,
&end
#
# 48 GLN HB3 49 ASP H 3.36
&rst
ixpk= 0, nxpk= 0, iat=1173,1185, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 48 GLN HB3 49 ASP HB2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1173,1189, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 48 GLN HB3 49 ASP HB3 5.90
&rst
ixpk= 0, nxpk= 0, iat=1173,1190, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 48 GLN HB3 49 ASP QB 4.73
&rst
ixpk= 0, nxpk= 0, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1189,1190,
&end
#
# 48 GLN HE21 50 ASN H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1181,1197, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 48 GLN HE21 50 ASN HD21 3.18
&rst
ixpk= 0, nxpk= 0, iat=1181,1207, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 48 GLN HE21 113 PRO QB 4.74
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2176,2177,
&end
#
# 48 GLN HE21 113 PRO QG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2173,2174,
&end
#
# 48 GLN HE22 50 ASN HD21 4.20
&rst
ixpk= 0, nxpk= 0, iat=1180,1207, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 48 GLN HE22 50 ASN HD22 3.63
&rst
ixpk= 0, nxpk= 0, iat=1180,1206, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 48 GLN HE22 113 PRO HD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1180,2170, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 48 GLN QG 48 GLN HE21 2.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr1=1175,1176,
&end
#
# 48 GLN QG 48 GLN HE22 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1175,1176,
&end
#
# 48 GLN QG 49 ASP H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1185, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1175,1176,
&end
#
# 48 GLN QG 49 ASP HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1175,1176,
&end
#
# 48 GLN QG 49 ASP HB2 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1175,1176,
&end
#
# 48 GLN QG 49 ASP HB3 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1190, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1175,1176,
&end
#
# 48 GLN QG 49 ASP QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1175,1176,
igr2=1189,1190,
&end
#
# 48 GLN QG 51 SER QB 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1175,1176,
igr2=1215,1216,
&end
#
# 48 GLN QG 114 PRO HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1175,1176,
&end
#
# 49 ASP H 49 ASP QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=1185, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1189,1190,
&end
#
# 49 ASP H 50 ASN H 3.04
&rst
ixpk= 0, nxpk= 0, iat=1185,1197, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 49 ASP H 50 ASN HD21 4.90
&rst
ixpk= 0, nxpk= 0, iat=1185,1207, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 49 ASP HA 50 ASN H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1187,1197, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 49 ASP HB2 50 ASN HB3 5.90
&rst
ixpk= 0, nxpk= 0, iat=1189,1202, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 49 ASP HB3 50 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1190,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 ASP QB 50 ASN H 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1189,1190,
&end
#
# 50 ASN H 50 ASN HD21 4.17
&rst
ixpk= 0, nxpk= 0, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 50 ASN H 50 ASN HD22 4.60
&rst
ixpk= 0, nxpk= 0, iat=1197,1206, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 50 ASN H 51 SER HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=1197,1213, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 50 ASN H 51 SER QB 4.84
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1215,1216,
&end
#
# 50 ASN H 137 PHE QE 5.80
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2535,2539,
&end
#
# 50 ASN HA 50 ASN HD21 4.73
&rst
ixpk= 0, nxpk= 0, iat=1199,1207, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 50 ASN HA 51 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1199,1211, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 50 ASN HA 51 SER HA 5.41
&rst
ixpk= 0, nxpk= 0, iat=1199,1213, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 50 ASN HA 51 SER QB 5.16
&rst
ixpk= 0, nxpk= 0, iat=1199, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1215,1216,
&end
#
# 50 ASN HA 52 ASP H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1199,1222, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 50 ASN HA 137 PHE HZ 5.70
&rst
ixpk= 0, nxpk= 0, iat=1199,2537, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 50 ASN HB2 51 SER H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1201,1211, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 ASN HB2 51 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ASN HB2 53 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201,1236, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ASN HB2 53 ASN HB2 5.38
&rst
ixpk= 0, nxpk= 0, iat=1201,1238, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 50 ASN HB2 53 ASN HB3 5.38
&rst
ixpk= 0, nxpk= 0, iat=1201,1239, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 50 ASN HB2 53 ASN QB 4.70
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1238,1239,
&end
#
# 50 ASN HB2 53 ASN QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1243,1244,
&end
#
# 50 ASN HB2 116 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2212,2213,2214,
&end
#
# 50 ASN HB2 137 PHE QD 4.74
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2533,2541,
&end
#
# 50 ASN HB2 137 PHE QE 4.43
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2535,2539,
&end
#
# 50 ASN HB3 50 ASN HD21 3.31
&rst
ixpk= 0, nxpk= 0, iat=1202,1207, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 50 ASN HB3 50 ASN HD22 3.91
&rst
ixpk= 0, nxpk= 0, iat=1202,1206, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 50 ASN HB3 51 SER H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1202,1211, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 50 ASN HB3 53 ASN QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1238,1239,
&end
#
# 50 ASN HB3 137 PHE HZ 3.74
&rst
ixpk= 0, nxpk= 0, iat=1202,2537, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 50 ASN HB3 137 PHE QD 5.19
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=2533,2541,
&end
#
# 50 ASN HB3 137 PHE QE 4.93
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2535,2539,
&end
#
# 50 ASN HD22 114 PRO HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat=1206,2191, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 50 ASN HD22 117 LYS H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1206,2218, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 50 ASN HD22 117 LYS HB2 3.49
&rst
ixpk= 0, nxpk= 0, iat=1206,2222, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 51 SER H 51 SER HA 2.94
&rst
ixpk= 0, nxpk= 0, iat=1211,1213, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 51 SER H 51 SER QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1215,1216,
&end
#
# 51 SER H 52 ASP H 2.99
&rst
ixpk= 0, nxpk= 0, iat=1211,1222, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 51 SER H 53 ASN H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1211,1234, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 51 SER HA 51 SER QB 2.60
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2=1215,1216,
&end
#
# 51 SER HA 52 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1226,1227,
&end
#
# 51 SER HA 53 ASN H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1213,1234, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 51 SER QB 52 ASP H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1222, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1215,1216,
&end
#
# 51 SER QB 52 ASP QB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1215,1216,
igr2=1226,1227,
&end
#
# 51 SER QB 53 ASN H 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1215,1216,
&end
#
# 52 ASP H 52 ASP QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1222, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1226,1227,
&end
#
# 52 ASP H 53 ASN H 2.84
&rst
ixpk= 0, nxpk= 0, iat=1222,1234, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 52 ASP HA 53 ASN HA 4.69
&rst
ixpk= 0, nxpk= 0, iat=1224,1236, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 52 ASP HA 113 PRO QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2176,2177,
&end
#
# 52 ASP HA 113 PRO QG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2173,2174,
&end
#
# 52 ASP QB 53 ASN H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1226,1227,
&end
#
# 52 ASP QB 53 ASN QB 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1226,1227,
igr2=1238,1239,
&end
#
# 52 ASP QB 139 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1226,1227,
igr2=2561,2562,2563,
&end
#
# 53 ASN H 53 ASN HB2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1234,1238, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 53 ASN H 53 ASN HB3 3.64
&rst
ixpk= 0, nxpk= 0, iat=1234,1239, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 53 ASN H 53 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1234,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN H 53 ASN HD22 6.00
&rst
ixpk= 0, nxpk= 0, iat=1234,1243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 53 ASN H 53 ASN QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1238,1239,
&end
#
# 53 ASN H 54 ASN H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1234,1248, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 53 ASN H 55 THR H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1234,1262, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 53 ASN HA 53 ASN HD21 4.71
&rst
ixpk= 0, nxpk= 0, iat=1236,1244, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 53 ASN HA 53 ASN HD22 4.71
&rst
ixpk= 0, nxpk= 0, iat=1236,1243, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 53 ASN HA 53 ASN QD2 4.09
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1243,1244,
&end
#
# 53 ASN HA 55 THR H 3.95
&rst
ixpk= 0, nxpk= 0, iat=1236,1262, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 53 ASN HA 55 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1236,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HA 116 ALA QB 5.80
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2212,2213,2214,
&end
#
# 53 ASN HA 137 PHE QD 5.54
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=2533,2541,
&end
#
# 53 ASN HA 139 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2561,2562,2563,
&end
#
# 53 ASN HB2 137 PHE QE 5.25
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=2535,2539,
&end
#
# 53 ASN HB3 137 PHE QE 5.25
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=2535,2539,
&end
#
# 53 ASN HD21 55 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1244,1262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HD21 137 PHE HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1244,2529, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 53 ASN HD21 137 PHE HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1244,2530, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 53 ASN HD21 138 ALA H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1244,2545, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 53 ASN HD21 138 ALA QB 5.19
&rst
ixpk= 0, nxpk= 0, iat=1244, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2549,2550,2551,
&end
#
# 53 ASN HD21 139 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1244,2555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HD21 139 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1244,2557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HD22 55 THR H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1243,1262, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 53 ASN HD22 137 PHE HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat=1243,2529, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 53 ASN HD22 137 PHE HB3 4.57
&rst
ixpk= 0, nxpk= 0, iat=1243,2530, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 53 ASN HD22 138 ALA H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1243,2545, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 53 ASN HD22 138 ALA QB 5.19
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=2549,2550,2551,
&end
#
# 53 ASN HD22 139 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1243,2555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN HD22 139 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1243,2557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ASN QB 137 PHE QD 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1238,1239,
igr2=2533,2541,
&end
#
# 53 ASN QB 137 PHE QE 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1238,1239,
igr2=2535,2539,
&end
#
# 53 ASN QD2 54 ASN H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1243,1244,
&end
#
# 53 ASN QD2 56 ILE QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1=1243,1244,
igr2=1282,1283,1284,
&end
#
# 53 ASN QD2 137 PHE H 5.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2525, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1243,1244,
&end
#
# 53 ASN QD2 137 PHE HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2529, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1243,1244,
&end
#
# 53 ASN QD2 137 PHE HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2530, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1243,1244,
&end
#
# 53 ASN QD2 137 PHE QD 2.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr1=1243,1244,
igr2=2533,2541,
&end
#
# 53 ASN QD2 138 ALA H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1243,1244,
&end
#
# 53 ASN QD2 138 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1243,1244,
igr2=2549,2550,2551,
&end
#
# 53 ASN QD2 139 THR H 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2555, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1243,1244,
&end
#
# 53 ASN QD2 139 THR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2557, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1243,1244,
&end
#
# 53 ASN QD2 139 THR QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1243,1244,
igr2=2561,2562,2563,
&end
#
# 54 ASN H 54 ASN QD2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1257,1258,
&end
#
# 54 ASN H 55 THR H 3.06
&rst
ixpk= 0, nxpk= 0, iat=1248,1262, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 54 ASN H 113 PRO HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=1248,2179, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 54 ASN H 116 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2212,2213,2214,
&end
#
# 54 ASN HA 54 ASN HD21 5.20
&rst
ixpk= 0, nxpk= 0, iat=1250,1258, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 54 ASN HA 54 ASN HD22 5.20
&rst
ixpk= 0, nxpk= 0, iat=1250,1257, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 54 ASN HA 54 ASN QD2 4.49
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1257,1258,
&end
#
# 54 ASN HA 56 ILE QG2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1282,1283,1284,
&end
#
# 54 ASN HA 113 PRO HA 3.73
&rst
ixpk= 0, nxpk= 0, iat=1250,2179, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 54 ASN HA 113 PRO HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1250,2171, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ASN HA 113 PRO QB 4.71
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2176,2177,
&end
#
# 54 ASN HA 116 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1250,2208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 54 ASN HA 116 ALA QB 3.31
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2212,2213,2214,
&end
#
# 54 ASN HA 117 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1250,2218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 54 ASN HB2 113 PRO HA 4.51
&rst
ixpk= 0, nxpk= 0, iat=1252,2179, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 54 ASN HB2 116 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2212,2213,2214,
&end
#
# 54 ASN HB3 113 PRO HA 4.51
&rst
ixpk= 0, nxpk= 0, iat=1253,2179, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 54 ASN HB3 116 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2212,2213,2214,
&end
#
# 54 ASN HD21 81 LYS QD 4.77
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1677,1678,
&end
#
# 54 ASN HD21 81 LYS QE 4.86
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1680,1681,
&end
#
# 54 ASN HD22 81 LYS QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1677,1678,
&end
#
# 54 ASN HD22 81 LYS QE 4.86
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1680,1681,
&end
#
# 54 ASN QB 81 LYS QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1252,1253,
igr2=1677,1678,
&end
#
# 54 ASN QB 81 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1252,1253,
igr2=1680,1681,
&end
#
# 54 ASN QB 110 PHE H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1252,1253,
&end
#
# 54 ASN QB 110 PHE HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1252,1253,
&end
#
# 54 ASN QB 113 PRO HA 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1252,1253,
&end
#
# 54 ASN QB 113 PRO QB 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1252,1253,
igr2=2176,2177,
&end
#
# 54 ASN QB 116 ALA H 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1252,1253,
&end
#
# 54 ASN QB 116 ALA QB 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1252,1253,
igr2=2212,2213,2214,
&end
#
# 54 ASN QD2 55 THR H 5.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1257,1258,
&end
#
# 54 ASN QD2 81 LYS QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1257,1258,
igr2=1677,1678,
&end
#
# 54 ASN QD2 81 LYS QE 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1257,1258,
igr2=1680,1681,
&end
#
# 54 ASN QD2 110 PHE H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2125, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1257,1258,
&end
#
# 54 ASN QD2 111 ASP H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1257,1258,
&end
#
# 54 ASN QD2 113 PRO HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2179, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1257,1258,
&end
#
# 55 THR H 55 THR HB 3.15
&rst
ixpk= 0, nxpk= 0, iat=1262,1266, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 55 THR H 55 THR QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1268,1269,1270,
&end
#
# 55 THR H 56 ILE H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1262,1276, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 55 THR H 56 ILE HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=1262,1278, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 THR H 109 SER HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=1262,2116, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 55 THR H 110 PHE H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1262,2125, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 55 THR H 116 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2212,2213,2214,
&end
#
# 55 THR H 138 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2549,2550,2551,
&end
#
# 55 THR HA 55 THR QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1268,1269,1270,
&end
#
# 55 THR HA 56 ILE H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1264,1276, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 55 THR HA 56 ILE QD1 5.35
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1289,1290,1291,
&end
#
# 55 THR HA 56 ILE QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1286,1287,
&end
#
# 55 THR HA 56 ILE QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1282,1283,1284,
&end
#
# 55 THR HA 107 THR QG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2090,2091,2092,
&end
#
# 55 THR HA 108 VAL H 5.21
&rst
ixpk= 0, nxpk= 0, iat=1264,2098, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 55 THR HA 108 VAL QG1 5.13
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=2104,2105,2106,
&end
#
# 55 THR HA 109 SER HA 3.22
&rst
ixpk= 0, nxpk= 0, iat=1264,2116, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 55 THR HA 109 SER QB 4.32
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2118,2119,
&end
#
# 55 THR HA 110 PHE H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1264,2125, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 55 THR HA 110 PHE QD 5.11
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2133,2141,
&end
#
# 55 THR HA 116 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=2212,2213,2214,
&end
#
# 55 THR HA 138 ALA QB 4.86
&rst
ixpk= 0, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2549,2550,2551,
&end
#
# 55 THR HB 56 ILE H 4.25
&rst
ixpk= 0, nxpk= 0, iat=1266,1276, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 55 THR HB 109 SER HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=1266,2116, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 55 THR HB 110 PHE H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1266,2125, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 55 THR HB 138 ALA H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1266,2545, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 55 THR HB 138 ALA QB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2549,2550,2551,
&end
#
# 55 THR HB 139 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1266,2555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 THR HB 139 THR HA 4.80
&rst
ixpk= 0, nxpk= 0, iat=1266,2557, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 55 THR QG2 56 ILE H 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1276, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 56 ILE HA 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 56 ILE QG1 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1268,1269,1270,
igr2=1286,1287,
&end
#
# 55 THR QG2 56 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=1268,1269,1270,
igr2=1282,1283,1284,
&end
#
# 55 THR QG2 57 PHE H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 57 PHE HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 90 MET QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1268,1269,1270,
igr2=1824,1825,1826,
&end
#
# 55 THR QG2 107 THR HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 107 THR QG2 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1268,1269,1270,
igr2=2090,2091,2092,
&end
#
# 55 THR QG2 108 VAL H 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 108 VAL QG2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
igr1=1268,1269,1270,
igr2=2108,2109,2110,
&end
#
# 55 THR QG2 109 SER H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 109 SER HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 109 SER QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1268,1269,1270,
igr2=2118,2119,
&end
#
# 55 THR QG2 110 PHE QD 5.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
igr1=1268,1269,1270,
igr2=2133,2141,
&end
#
# 55 THR QG2 138 ALA H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 138 ALA HA 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2547, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1268,1269,1270,
&end
#
# 55 THR QG2 138 ALA QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1268,1269,1270,
igr2=2549,2550,2551,
&end
#
# 56 ILE H 56 ILE QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1289,1290,1291,
&end
#
# 56 ILE H 56 ILE QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1286,1287,
&end
#
# 56 ILE H 56 ILE QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1282,1283,1284,
&end
#
# 56 ILE H 57 PHE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1276,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 56 ILE H 107 THR HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=1276,2086, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 56 ILE H 108 VAL H 3.99
&rst
ixpk= 0, nxpk= 0, iat=1276,2098, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 56 ILE H 108 VAL HB 4.70
&rst
ixpk= 0, nxpk= 0, iat=1276,2102, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 56 ILE H 108 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2104,2105,2106,
&end
#
# 56 ILE H 109 SER HA 4.14
&rst
ixpk= 0, nxpk= 0, iat=1276,2116, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 56 ILE H 116 ALA QB 4.94
&rst
ixpk= 0, nxpk= 0, iat=1276, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2212,2213,2214,
&end
#
# 56 ILE HA 56 ILE QD1 4.18
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1289,1290,1291,
&end
#
# 56 ILE HA 56 ILE QG2 3.21
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1282,1283,1284,
&end
#
# 56 ILE HA 57 PHE H 3.40
&rst
ixpk= 0, nxpk= 0, iat=1278,1295, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 ILE HA 108 VAL H 5.26
&rst
ixpk= 0, nxpk= 0, iat=1278,2098, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 56 ILE HA 110 PHE QD 6.00
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2133,2141,
&end
#
# 56 ILE HA 116 ALA QB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=2212,2213,2214,
&end
#
# 56 ILE HA 120 ILE QD1 4.34
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=2273,2274,2275,
&end
#
# 56 ILE HA 135 VAL QQG 4.03
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 56 ILE HA 136 SER H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1278,2514, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 56 ILE HA 137 PHE H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1278,2525, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 56 ILE HA 137 PHE HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1278,2527, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 56 ILE HA 137 PHE QD 5.01
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2533,2541,
&end
#
# 56 ILE HA 138 ALA H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1278,2545, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 56 ILE HA 138 ALA QB 3.76
&rst
ixpk= 0, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2549,2550,2551,
&end
#
# 56 ILE HB 56 ILE QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1289,1290,1291,
&end
#
# 56 ILE HB 57 PHE H 3.71
&rst
ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 56 ILE HB 57 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1280,1297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ILE HB 58 VAL QQG 3.66
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1321,1322,1323,1325,1326,1327,
&end
#
# 56 ILE HB 108 VAL HB 5.07
&rst
ixpk= 0, nxpk= 0, iat=1280,2102, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 56 ILE HB 116 ALA QB 4.90
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2212,2213,2214,
&end
#
# 56 ILE HB 135 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1280,2500, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ILE HB 135 VAL QG1 4.59
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2504,2505,2506,
&end
#
# 56 ILE HB 135 VAL QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2508,2509,2510,
&end
#
# 56 ILE HB 135 VAL QQG 3.18
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 56 ILE HB 136 SER H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1280,2514, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 56 ILE HB 138 ALA H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1280,2545, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 56 ILE HG12 108 VAL HB 4.37
&rst
ixpk= 0, nxpk= 0, iat=1286,2102, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 56 ILE HG12 108 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2104,2105,2106,
&end
#
# 56 ILE HG12 110 PHE QE 4.74
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2135,2139,
&end
#
# 56 ILE HG13 108 VAL HB 4.37
&rst
ixpk= 0, nxpk= 0, iat=1287,2102, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 56 ILE HG13 108 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2104,2105,2106,
&end
#
# 56 ILE HG13 110 PHE QE 4.74
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2135,2139,
&end
#
# 56 ILE QD1 57 PHE H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 57 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 58 VAL H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 58 VAL HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1317, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 58 VAL QQG 2.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1289,1290,1291,
igr2=1321,1322,1323,1325,1326,1327,
&end
#
# 56 ILE QD1 74 PHE HB3 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 74 PHE HZ 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 74 PHE QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1289,1290,1291,
igr2=1552,1560,
&end
#
# 56 ILE QD1 74 PHE QE 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1289,1290,1291,
igr2=1554,1558,
&end
#
# 56 ILE QD1 77 ILE HG13 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 108 VAL H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 108 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 108 VAL HB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 108 VAL QG1 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1289,1290,1291,
igr2=2104,2105,2106,
&end
#
# 56 ILE QD1 110 PHE HZ 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 110 PHE QD 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1289,1290,1291,
igr2=2133,2141,
&end
#
# 56 ILE QD1 110 PHE QE 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1289,1290,1291,
igr2=2135,2139,
&end
#
# 56 ILE QD1 116 ALA HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 116 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1=1289,1290,1291,
igr2=2212,2213,2214,
&end
#
# 56 ILE QD1 119 ALA H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 119 ALA HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 119 ALA QB 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1289,1290,1291,
igr2=2254,2255,2256,
&end
#
# 56 ILE QD1 120 ILE H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 120 ILE HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2262, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 120 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1289,1290,1291,
igr2=2273,2274,2275,
&end
#
# 56 ILE QD1 123 PHE QD 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1289,1290,1291,
igr2=2323,2331,
&end
#
# 56 ILE QD1 133 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=1289,1290,1291,
igr2=2470,2471,2472,
&end
#
# 56 ILE QD1 135 VAL HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1289,1290,1291,
&end
#
# 56 ILE QD1 135 VAL QG1 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1289,1290,1291,
igr2=2504,2505,2506,
&end
#
# 56 ILE QD1 135 VAL QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1289,1290,1291,
igr2=2508,2509,2510,
&end
#
# 56 ILE QD1 135 VAL QQG 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1289,1290,1291,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 56 ILE QD1 136 SER H 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1289,1290,1291,
&end
#
# 56 ILE QG1 58 VAL QQG 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1286,1287,
igr2=1321,1322,1323,1325,1326,1327,
&end
#
# 56 ILE QG1 74 PHE QE 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1286,1287,
igr2=1554,1558,
&end
#
# 56 ILE QG1 108 VAL H 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1286,1287,
&end
#
# 56 ILE QG1 108 VAL HB 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1286,1287,
&end
#
# 56 ILE QG1 108 VAL QG1 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1286,1287,
igr2=2104,2105,2106,
&end
#
# 56 ILE QG1 109 SER HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1286,1287,
&end
#
# 56 ILE QG1 110 PHE HZ 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1286,1287,
&end
#
# 56 ILE QG1 110 PHE QD 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1286,1287,
igr2=2133,2141,
&end
#
# 56 ILE QG1 110 PHE QE 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1286,1287,
igr2=2135,2139,
&end
#
# 56 ILE QG1 116 ALA QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1286,1287,
igr2=2212,2213,2214,
&end
#
# 56 ILE QG1 135 VAL QQG 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1286,1287,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 56 ILE QG2 56 ILE HG12 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1286, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 56 ILE HG13 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 56 ILE QD1 2.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1282,1283,1284,
igr2=1289,1290,1291,
&end
#
# 56 ILE QG2 57 PHE H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 74 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1282,1283,1284,
igr2=1552,1560,
&end
#
# 56 ILE QG2 74 PHE QE 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1=1282,1283,1284,
igr2=1554,1558,
&end
#
# 56 ILE QG2 108 VAL H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 108 VAL HB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 108 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1282,1283,1284,
igr2=2104,2105,2106,
&end
#
# 56 ILE QG2 110 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 110 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 110 PHE QD 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1282,1283,1284,
igr2=2133,2141,
&end
#
# 56 ILE QG2 110 PHE QE 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1282,1283,1284,
igr2=2135,2139,
&end
#
# 56 ILE QG2 116 ALA H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 116 ALA HA 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 116 ALA QB 2.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1282,1283,1284,
igr2=2212,2213,2214,
&end
#
# 56 ILE QG2 117 LYS H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 117 LYS HA 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 119 ALA QB 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1282,1283,1284,
igr2=2254,2255,2256,
&end
#
# 56 ILE QG2 120 ILE H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 120 ILE HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2262, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 120 ILE QD1 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1=1282,1283,1284,
igr2=2273,2274,2275,
&end
#
# 56 ILE QG2 123 PHE QD 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1282,1283,1284,
igr2=2323,2331,
&end
#
# 56 ILE QG2 135 VAL QQG 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1282,1283,1284,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 56 ILE QG2 137 PHE HA 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2527, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1282,1283,1284,
&end
#
# 56 ILE QG2 137 PHE QD 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1282,1283,1284,
igr2=2533,2541,
&end
#
# 56 ILE QG2 137 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1282,1283,1284,
igr2=2535,2539,
&end
#
# 56 ILE QG2 138 ALA H 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1282,1283,1284,
&end
#
# 57 PHE H 57 PHE HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 57 PHE H 57 PHE HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat=1295,1300, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 57 PHE H 57 PHE QD 4.29
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1303,1311,
&end
#
# 57 PHE H 58 VAL H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1295,1315, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 57 PHE H 58 VAL QQG 4.56
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=1321,1322,1323,1325,1326,1327,
&end
#
# 57 PHE H 107 THR QG2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=2090,2091,2092,
&end
#
# 57 PHE H 120 ILE HG12 5.20
&rst
ixpk= 0, nxpk= 0, iat=1295,2270, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 57 PHE H 120 ILE QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2273,2274,2275,
&end
#
# 57 PHE H 135 VAL HA 4.83
&rst
ixpk= 0, nxpk= 0, iat=1295,2500, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 57 PHE H 135 VAL QQG 3.83
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 57 PHE H 136 SER H 3.62
&rst
ixpk= 0, nxpk= 0, iat=1295,2514, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 57 PHE H 136 SER HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1295,2518, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 57 PHE H 136 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1295,2519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 PHE H 137 PHE H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1295,2525, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 57 PHE H 138 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1295,2545, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 57 PHE H 138 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat=1295,2547, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 57 PHE H 138 ALA QB 3.77
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=2549,2550,2551,
&end
#
# 57 PHE HA 57 PHE QD 3.41
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1303,1311,
&end
#
# 57 PHE HA 57 PHE QE 4.64
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1305,1309,
&end
#
# 57 PHE HA 58 VAL H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1297,1315, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 57 PHE HA 58 VAL QQG 3.81
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1321,1322,1323,1325,1326,1327,
&end
#
# 57 PHE HA 106 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2078,2079,2080,
&end
#
# 57 PHE HA 107 THR HA 3.85
&rst
ixpk= 0, nxpk= 0, iat=1297,2086, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 57 PHE HA 107 THR HB 5.30
&rst
ixpk= 0, nxpk= 0, iat=1297,2088, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 57 PHE HA 107 THR QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2090,2091,2092,
&end
#
# 57 PHE HA 108 VAL H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1297,2098, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 57 PHE HA 108 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2108,2109,2110,
&end
#
# 57 PHE HA 138 ALA HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1297,2547, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 57 PHE HA 138 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2549,2550,2551,
&end
#
# 57 PHE HB2 58 VAL H 4.78
&rst
ixpk= 0, nxpk= 0, iat=1299,1315, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 57 PHE HB2 107 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2090,2091,2092,
&end
#
# 57 PHE HB2 136 SER H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1299,2514, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 57 PHE HB2 138 ALA HA 3.93
&rst
ixpk= 0, nxpk= 0, iat=1299,2547, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 PHE HB2 138 ALA QB 3.50
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2549,2550,2551,
&end
#
# 57 PHE HB3 58 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1300,1315, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 57 PHE HB3 107 THR QG2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=2090,2091,2092,
&end
#
# 57 PHE HB3 136 SER H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1300,2514, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 57 PHE HB3 138 ALA HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1300,2547, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 57 PHE HB3 138 ALA QB 4.30
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2549,2550,2551,
&end
#
# 57 PHE QD 58 VAL H 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1303,1311,
&end
#
# 57 PHE QD 58 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1303,1311,
&end
#
# 57 PHE QD 59 GLN HG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1303,1311,
&end
#
# 57 PHE QD 59 GLN HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1303,1311,
&end
#
# 57 PHE QD 107 THR HA 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1303,1311,
&end
#
# 57 PHE QD 107 THR QG2 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1303,1311,
igr2=2090,2091,2092,
&end
#
# 57 PHE QD 136 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1303,1311,
&end
#
# 57 PHE QD 138 ALA HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2547, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1303,1311,
&end
#
# 57 PHE QD 138 ALA QB 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1303,1311,
igr2=2549,2550,2551,
&end
#
# 57 PHE QE 59 GLN HB2 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1305,1309,
&end
#
# 57 PHE QE 59 GLN HG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1305,1309,
&end
#
# 57 PHE QE 59 GLN HG3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1305,1309,
&end
#
# 57 PHE QE 94 TYR QD 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1305,1309,
igr2=1890,1899,
&end
#
# 57 PHE QE 94 TYR QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1305,1309,
igr2=1892,1897,
&end
#
# 57 PHE QE 105 GLU HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1305,1309,
&end
#
# 57 PHE QE 105 GLU HB2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1305,1309,
&end
#
# 57 PHE QE 105 GLU HB3 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2064, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1305,1309,
&end
#
# 57 PHE QE 105 GLU HG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1305,1309,
&end
#
# 57 PHE QE 105 GLU HG3 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1305,1309,
&end
#
# 57 PHE QE 106 ALA H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1305,1309,
&end
#
# 57 PHE QE 107 THR QG2 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1305,1309,
igr2=2090,2091,2092,
&end
#
# 58 VAL H 58 VAL HB 3.70
&rst
ixpk= 0, nxpk= 0, iat=1315,1319, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 58 VAL H 58 VAL QG1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1321,1322,1323,
&end
#
# 58 VAL H 58 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1325,1326,1327,
&end
#
# 58 VAL H 58 VAL QQG 2.90
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL H 59 GLN H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1315,1331, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 58 VAL H 59 GLN HG3 5.26
&rst
ixpk= 0, nxpk= 0, iat=1315,1339, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 58 VAL H 105 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1315,2061, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL H 106 ALA QB 4.44
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2078,2079,2080,
&end
#
# 58 VAL H 107 THR HA 4.13
&rst
ixpk= 0, nxpk= 0, iat=1315,2086, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 58 VAL H 107 THR QG2 4.39
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=2090,2091,2092,
&end
#
# 58 VAL H 108 VAL H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1315,2098, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 58 VAL H 108 VAL QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2108,2109,2110,
&end
#
# 58 VAL H 135 VAL HA 4.80
&rst
ixpk= 0, nxpk= 0, iat=1315,2500, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 58 VAL H 138 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2549,2550,2551,
&end
#
# 58 VAL HA 58 VAL QG1 3.15
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1321,1322,1323,
&end
#
# 58 VAL HA 58 VAL QG2 3.15
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1325,1326,1327,
&end
#
# 58 VAL HA 59 GLN H 3.01
&rst
ixpk= 0, nxpk= 0, iat=1317,1331, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 58 VAL HA 59 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1317,1335, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HA 59 GLN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1317,1336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HA 59 GLN HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat=1317,1339, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 58 VAL HA 61 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1364,1365,1366,
&end
#
# 58 VAL HA 61 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1368,1369,1370,
&end
#
# 58 VAL HA 74 PHE HZ 5.13
&rst
ixpk= 0, nxpk= 0, iat=1317,1556, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 58 VAL HA 74 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1554,1558,
&end
#
# 58 VAL HA 133 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1317,2461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HA 133 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2470,2471,2472,
&end
#
# 58 VAL HA 134 LYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1317,2476, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 58 VAL HA 134 LYS HA 5.30
&rst
ixpk= 0, nxpk= 0, iat=1317,2478, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 58 VAL HA 135 VAL QG1 4.29
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2504,2505,2506,
&end
#
# 58 VAL HA 135 VAL QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2508,2509,2510,
&end
#
# 58 VAL HA 135 VAL QQG 3.21
&rst
ixpk= 0, nxpk= 0, iat=1317, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 58 VAL HB 59 GLN H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1319,1331, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 58 VAL HB 59 GLN HA 5.45
&rst
ixpk= 0, nxpk= 0, iat=1319,1333, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 58 VAL HB 61 LEU QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1364,1365,1366,
&end
#
# 58 VAL HB 61 LEU QD2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1368,1369,1370,
&end
#
# 58 VAL HB 61 LEU QQD 3.38
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1364,1365,1366,1368,1369,1370,
&end
#
# 58 VAL HB 74 PHE HZ 4.77
&rst
ixpk= 0, nxpk= 0, iat=1319,1556, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 58 VAL HB 106 ALA H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1319,2074, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 58 VAL HB 106 ALA QB 3.28
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2078,2079,2080,
&end
#
# 58 VAL HB 108 VAL QG2 5.39
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=2108,2109,2110,
&end
#
# 58 VAL HB 128 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1319, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2401,2405,
&end
#
# 58 VAL QG1 59 GLN H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1321,1322,1323,
&end
#
# 58 VAL QG1 74 PHE HZ 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1321,1322,1323,
&end
#
# 58 VAL QG1 106 ALA H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1321,1322,1323,
&end
#
# 58 VAL QG1 123 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1321,1322,1323,
&end
#
# 58 VAL QG1 134 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2476, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1321,1322,1323,
&end
#
# 58 VAL QG1 135 VAL HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1321,1322,1323,
&end
#
# 58 VAL QG2 59 GLN H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1325,1326,1327,
&end
#
# 58 VAL QG2 74 PHE HZ 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1325,1326,1327,
&end
#
# 58 VAL QG2 106 ALA H 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1325,1326,1327,
&end
#
# 58 VAL QG2 123 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1325,1326,1327,
&end
#
# 58 VAL QG2 134 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2476, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1325,1326,1327,
&end
#
# 58 VAL QG2 135 VAL HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1325,1326,1327,
&end
#
# 58 VAL QQG 59 GLN H 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 59 GLN HA 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 59 GLN HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 60 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1348, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 61 LEU H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 61 LEU HG 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 61 LEU QQD 2.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1321,1322,1323,1325,1326,1327,
igr2=1364,1365,1366,1368,1369,1370,
&end
#
# 58 VAL QQG 73 TYR QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1321,1322,1323,1325,1326,1327,
igr2=1531,1540,
&end
#
# 58 VAL QQG 73 TYR QE 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
igr1=1321,1322,1323,1325,1326,1327,
igr2=1533,1538,
&end
#
# 58 VAL QQG 74 PHE HZ 2.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 74 PHE QD 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1321,1322,1323,1325,1326,1327,
igr2=1552,1560,
&end
#
# 58 VAL QQG 74 PHE QE 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1321,1322,1323,1325,1326,1327,
igr2=1554,1558,
&end
#
# 58 VAL QQG 105 GLU HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 106 ALA H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 106 ALA HA 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 106 ALA QB 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1321,1322,1323,1325,1326,1327,
igr2=2078,2079,2080,
&end
#
# 58 VAL QQG 107 THR H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 107 THR HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 107 THR QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr1=1321,1322,1323,1325,1326,1327,
igr2=2090,2091,2092,
&end
#
# 58 VAL QQG 108 VAL H 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 108 VAL HB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 108 VAL QG1 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
igr1=1321,1322,1323,1325,1326,1327,
igr2=2104,2105,2106,
&end
#
# 58 VAL QQG 108 VAL QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1321,1322,1323,1325,1326,1327,
igr2=2108,2109,2110,
&end
#
# 58 VAL QQG 120 ILE HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2262, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 123 PHE HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 124 ASP HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 128 PHE QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1=1321,1322,1323,1325,1326,1327,
igr2=2399,2407,
&end
#
# 58 VAL QQG 133 ILE HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2459, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 133 ILE HB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2461, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 134 LYS H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2476, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 135 VAL HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 135 VAL HB 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 58 VAL QQG 135 VAL QQG 2.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1321,1322,1323,1325,1326,1327,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 58 VAL QQG 136 SER H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1321,1322,1323,1325,1326,1327,
&end
#
# 59 GLN H 59 GLN HB2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1331,1335, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 59 GLN H 59 GLN HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1331,1336, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 59 GLN H 59 GLN HG2 4.61
&rst
ixpk= 0, nxpk= 0, iat=1331,1338, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 59 GLN H 59 GLN HG3 4.13
&rst
ixpk= 0, nxpk= 0, iat=1331,1339, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 59 GLN H 60 GLY H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1331,1348, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 59 GLN H 61 LEU H 5.05
&rst
ixpk= 0, nxpk= 0, iat=1331,1355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 59 GLN H 61 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1364,1365,1366,
&end
#
# 59 GLN H 61 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1368,1369,1370,
&end
#
# 59 GLN H 61 LEU QQD 4.61
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1364,1365,1366,1368,1369,1370,
&end
#
# 59 GLN H 105 GLU HA 4.80
&rst
ixpk= 0, nxpk= 0, iat=1331,2061, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 59 GLN H 133 ILE HA 4.70
&rst
ixpk= 0, nxpk= 0, iat=1331,2459, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 59 GLN H 133 ILE HB 4.54
&rst
ixpk= 0, nxpk= 0, iat=1331,2461, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 59 GLN H 133 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2470,2471,2472,
&end
#
# 59 GLN H 133 ILE QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2463,2464,2465,
&end
#
# 59 GLN H 134 LYS H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1331,2476, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 59 GLN H 134 LYS HB2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1331,2480, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 59 GLN H 134 LYS HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1331,2481, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLN H 134 LYS HG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=1331,2483, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 59 GLN H 134 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1331,2484, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLN H 134 LYS QE 5.24
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2489,2490,
&end
#
# 59 GLN H 135 VAL H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1331,2498, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 59 GLN H 135 VAL HA 4.24
&rst
ixpk= 0, nxpk= 0, iat=1331,2500, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 59 GLN H 135 VAL QQG 4.10
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 59 GLN HA 59 GLN HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1333,1338, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 59 GLN HA 59 GLN HG3 4.22
&rst
ixpk= 0, nxpk= 0, iat=1333,1339, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 59 GLN HA 61 LEU H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1333,1355, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 59 GLN HA 61 LEU QQD 5.16
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2=1364,1365,1366,1368,1369,1370,
&end
#
# 59 GLN HA 105 GLU HA 3.59
&rst
ixpk= 0, nxpk= 0, iat=1333,2061, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 59 GLN HA 105 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1333,2064, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLN HA 105 GLU HG3 4.55
&rst
ixpk= 0, nxpk= 0, iat=1333,2067, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 59 GLN HA 106 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat=1333,2074, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 59 GLN HA 106 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2078,2079,2080,
&end
#
# 59 GLN HB2 59 GLN HE21 3.80
&rst
ixpk= 0, nxpk= 0, iat=1335,1344, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 59 GLN HB2 59 GLN HE22 4.17
&rst
ixpk= 0, nxpk= 0, iat=1335,1343, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 59 GLN HB2 60 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1335,1348, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 59 GLN HB2 60 GLY HA3 5.24
&rst
ixpk= 0, nxpk= 0, iat=1335,1351, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 59 GLN HB2 105 GLU HA 5.45
&rst
ixpk= 0, nxpk= 0, iat=1335,2061, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 59 GLN HB2 134 LYS H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1335,2476, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 59 GLN HB2 134 LYS HB2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1335,2480, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 59 GLN HB2 134 LYS HB3 4.08
&rst
ixpk= 0, nxpk= 0, iat=1335,2481, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 59 GLN HB2 134 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1335,2483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLN HB2 134 LYS HG3 4.85
&rst
ixpk= 0, nxpk= 0, iat=1335,2484, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 59 GLN HB2 134 LYS QD 4.97
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2486,2487,
&end
#
# 59 GLN HB2 135 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1335,2500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLN HB3 59 GLN HE21 4.50
&rst
ixpk= 0, nxpk= 0, iat=1336,1344, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLN HB3 59 GLN HE22 4.38
&rst
ixpk= 0, nxpk= 0, iat=1336,1343, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 59 GLN HB3 60 GLY H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1336,1348, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 59 GLN HB3 134 LYS H 5.27
&rst
ixpk= 0, nxpk= 0, iat=1336,2476, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 59 GLN HB3 134 LYS HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1336,2480, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 59 GLN HE21 134 LYS HG3 5.15
&rst
ixpk= 0, nxpk= 0, iat=1344,2484, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 59 GLN HE21 134 LYS QD 4.86
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=2486,2487,
&end
#
# 59 GLN HE21 134 LYS QE 4.09
&rst
ixpk= 0, nxpk= 0, iat=1344, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2489,2490,
&end
#
# 59 GLN HE22 134 LYS HB2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1343,2480, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 59 GLN HE22 134 LYS QD 5.14
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=2486,2487,
&end
#
# 59 GLN HE22 134 LYS QE 3.98
&rst
ixpk= 0, nxpk= 0, iat=1343, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2489,2490,
&end
#
# 59 GLN HG2 60 GLY H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1338,1348, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 59 GLN HG2 105 GLU HA 5.12
&rst
ixpk= 0, nxpk= 0, iat=1338,2061, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 59 GLN HG2 105 GLU HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1338,2066, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 59 GLN HG2 134 LYS HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1338,2480, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 59 GLN HG2 134 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1338,2481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLN HG3 59 GLN HE21 3.40
&rst
ixpk= 0, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 59 GLN HG3 59 GLN HE22 3.88
&rst
ixpk= 0, nxpk= 0, iat=1339,1343, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 59 GLN HG3 60 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1339,1348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 GLN HG3 105 GLU HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=1339,2061, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 59 GLN HG3 105 GLU HG2 4.16
&rst
ixpk= 0, nxpk= 0, iat=1339,2066, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 59 GLN HG3 134 LYS HB2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1339,2480, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 59 GLN HG3 135 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1339,2500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLY H 61 LEU H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1348,1355, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 60 GLY H 61 LEU QD1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1364,1365,1366,
&end
#
# 60 GLY H 61 LEU QD2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1368,1369,1370,
&end
#
# 60 GLY H 61 LEU QQD 4.22
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1364,1365,1366,1368,1369,1370,
&end
#
# 60 GLY H 62 GLY H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1348,1374, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 60 GLY H 104 GLY HA2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1348,2054, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 60 GLY H 105 GLU H 5.26
&rst
ixpk= 0, nxpk= 0, iat=1348,2059, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 60 GLY H 105 GLU HA 4.19
&rst
ixpk= 0, nxpk= 0, iat=1348,2061, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 60 GLY H 105 GLU HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1348,2067, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 GLY H 106 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1348,2074, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLY H 133 ILE HA 4.77
&rst
ixpk= 0, nxpk= 0, iat=1348,2459, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 60 GLY H 133 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1348, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2463,2464,2465,
&end
#
# 60 GLY H 134 LYS H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1348,2476, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 60 GLY HA2 133 ILE HA 3.96
&rst
ixpk= 0, nxpk= 0, iat=1350,2459, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 60 GLY HA2 133 ILE QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat=1350, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2463,2464,2465,
&end
#
# 60 GLY HA2 134 LYS H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1350,2476, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 60 GLY HA3 61 LEU QB 5.38
&rst
ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1359,1360,
&end
#
# 60 GLY HA3 133 ILE HA 4.07
&rst
ixpk= 0, nxpk= 0, iat=1351,2459, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 60 GLY HA3 133 ILE HB 5.24
&rst
ixpk= 0, nxpk= 0, iat=1351,2461, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 60 GLY HA3 133 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1351,2468, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLY HA3 133 ILE QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=2470,2471,2472,
&end
#
# 60 GLY HA3 133 ILE QG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1351, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2463,2464,2465,
&end
#
# 60 GLY HA3 134 LYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1351,2476, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 61 LEU H 61 LEU HG 4.30
&rst
ixpk= 0, nxpk= 0, iat=1355,1362, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 61 LEU H 61 LEU QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1364,1365,1366,
&end
#
# 61 LEU H 61 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1368,1369,1370,
&end
#
# 61 LEU H 61 LEU QQD 3.17
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU H 62 GLY H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1355,1374, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 61 LEU H 65 VAL QG2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1420,1421,1422,
&end
#
# 61 LEU H 104 GLY HA2 4.11
&rst
ixpk= 0, nxpk= 0, iat=1355,2054, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 61 LEU H 105 GLU HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=1355,2061, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 61 LEU H 133 ILE HB 5.05
&rst
ixpk= 0, nxpk= 0, iat=1355,2461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 61 LEU H 133 ILE QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=2463,2464,2465,
&end
#
# 61 LEU HA 61 LEU HG 4.14
&rst
ixpk= 0, nxpk= 0, iat=1357,1362, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 61 LEU HA 61 LEU QD1 3.84
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1364,1365,1366,
&end
#
# 61 LEU HA 61 LEU QD2 3.84
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1368,1369,1370,
&end
#
# 61 LEU HA 61 LEU QQD 2.71
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU HA 64 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1357,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 LEU HA 65 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1420,1421,1422,
&end
#
# 61 LEU HA 106 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2078,2079,2080,
&end
#
# 61 LEU HA 128 PHE HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1357,2395, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 61 LEU HA 128 PHE HB3 5.29
&rst
ixpk= 0, nxpk= 0, iat=1357,2396, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 61 LEU HA 128 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2399,2407,
&end
#
# 61 LEU HA 128 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2401,2405,
&end
#
# 61 LEU HA 133 ILE HG12 5.80
&rst
ixpk= 0, nxpk= 0, iat=1357,2467, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 61 LEU HA 133 ILE QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2470,2471,2472,
&end
#
# 61 LEU HA 133 ILE QG2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1357, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2463,2464,2465,
&end
#
# 61 LEU HG 65 VAL QG1 2.90
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1416,1417,1418,
&end
#
# 61 LEU HG 70 VAL QG1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1491,1492,1493,
&end
#
# 61 LEU HG 104 GLY HA2 5.70
&rst
ixpk= 0, nxpk= 0, iat=1362,2054, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 61 LEU HG 128 PHE QD 4.84
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2399,2407,
&end
#
# 61 LEU HG 133 ILE HB 6.00
&rst
ixpk= 0, nxpk= 0, iat=1362,2461, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 61 LEU QB 61 LEU QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1359,1360,
igr2=1364,1365,1366,
&end
#
# 61 LEU QB 61 LEU QD2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1359,1360,
igr2=1368,1369,1370,
&end
#
# 61 LEU QB 62 GLY H 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1359,1360,
&end
#
# 61 LEU QB 65 VAL HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1359,1360,
&end
#
# 61 LEU QB 65 VAL HB 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1359,1360,
&end
#
# 61 LEU QB 65 VAL QG1 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1359,1360,
igr2=1416,1417,1418,
&end
#
# 61 LEU QB 65 VAL QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1359,1360,
igr2=1420,1421,1422,
&end
#
# 61 LEU QB 70 VAL QG1 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1=1359,1360,
igr2=1491,1492,1493,
&end
#
# 61 LEU QB 93 LEU QQD 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1359,1360,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 61 LEU QB 102 LEU QQD 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1359,1360,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 61 LEU QB 104 GLY HA2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1359,1360,
&end
#
# 61 LEU QB 104 GLY HA3 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1359,1360,
&end
#
# 61 LEU QD1 62 GLY H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1364,1365,1366,
&end
#
# 61 LEU QD1 65 VAL HA 6.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1364,1365,1366,
&end
#
# 61 LEU QD1 65 VAL QG1 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1364,1365,1366,
igr2=1416,1417,1418,
&end
#
# 61 LEU QD1 65 VAL QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1364,1365,1366,
igr2=1420,1421,1422,
&end
#
# 61 LEU QD1 70 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1364,1365,1366,
igr2=1491,1492,1493,
&end
#
# 61 LEU QD1 74 PHE HZ 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1364,1365,1366,
&end
#
# 61 LEU QD1 74 PHE QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1364,1365,1366,
igr2=1554,1558,
&end
#
# 61 LEU QD1 104 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1364,1365,1366,
&end
#
# 61 LEU QD1 106 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1364,1365,1366,
igr2=2078,2079,2080,
&end
#
# 61 LEU QD1 128 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1364,1365,1366,
&end
#
# 61 LEU QD1 128 PHE QE 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1364,1365,1366,
igr2=2401,2405,
&end
#
# 61 LEU QD2 62 GLY H 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1368,1369,1370,
&end
#
# 61 LEU QD2 65 VAL HA 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1368,1369,1370,
&end
#
# 61 LEU QD2 65 VAL HB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1414, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1368,1369,1370,
&end
#
# 61 LEU QD2 65 VAL QG1 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1368,1369,1370,
igr2=1416,1417,1418,
&end
#
# 61 LEU QD2 65 VAL QG2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1368,1369,1370,
igr2=1420,1421,1422,
&end
#
# 61 LEU QD2 70 VAL QG1 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1368,1369,1370,
igr2=1491,1492,1493,
&end
#
# 61 LEU QD2 74 PHE HZ 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1368,1369,1370,
&end
#
# 61 LEU QD2 74 PHE QE 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1368,1369,1370,
igr2=1554,1558,
&end
#
# 61 LEU QD2 104 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1368,1369,1370,
&end
#
# 61 LEU QD2 106 ALA QB 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1368,1369,1370,
igr2=2078,2079,2080,
&end
#
# 61 LEU QD2 128 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1368,1369,1370,
&end
#
# 61 LEU QD2 128 PHE QE 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1368,1369,1370,
igr2=2401,2405,
&end
#
# 61 LEU QQD 62 GLY H 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 65 VAL QG1 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1364,1365,1366,1368,1369,1370,
igr2=1416,1417,1418,
&end
#
# 61 LEU QQD 65 VAL QG2 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1364,1365,1366,1368,1369,1370,
igr2=1420,1421,1422,
&end
#
# 61 LEU QQD 69 SER HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 70 VAL H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 70 VAL HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 70 VAL HB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1489, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 73 TYR QD 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1=1364,1365,1366,1368,1369,1370,
igr2=1531,1540,
&end
#
# 61 LEU QQD 74 PHE HZ 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 74 PHE QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1364,1365,1366,1368,1369,1370,
igr2=1552,1560,
&end
#
# 61 LEU QQD 74 PHE QE 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1364,1365,1366,1368,1369,1370,
igr2=1554,1558,
&end
#
# 61 LEU QQD 93 LEU HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1865, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 93 LEU QQD 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1364,1365,1366,1368,1369,1370,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 61 LEU QQD 94 TYR QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1364,1365,1366,1368,1369,1370,
igr2=1890,1899,
&end
#
# 61 LEU QQD 102 LEU QQD 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1=1364,1365,1366,1368,1369,1370,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 61 LEU QQD 104 GLY H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 104 GLY HA2 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 105 GLU HA 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 105 GLU HG2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 106 ALA H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 106 ALA HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 106 ALA QB 2.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1364,1365,1366,1368,1369,1370,
igr2=2078,2079,2080,
&end
#
# 61 LEU QQD 107 THR H 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 128 PHE HA 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 128 PHE HB2 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2395, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 128 PHE HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2396, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 128 PHE HZ 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 128 PHE QD 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1364,1365,1366,1368,1369,1370,
igr2=2399,2407,
&end
#
# 61 LEU QQD 128 PHE QE 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1364,1365,1366,1368,1369,1370,
igr2=2401,2405,
&end
#
# 61 LEU QQD 133 ILE HB 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2461, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 61 LEU QQD 133 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1364,1365,1366,1368,1369,1370,
igr2=2470,2471,2472,
&end
#
# 61 LEU QQD 133 ILE QG2 2.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1364,1365,1366,1368,1369,1370,
igr2=2463,2464,2465,
&end
#
# 61 LEU QQD 134 LYS H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2476, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1364,1365,1366,1368,1369,1370,
&end
#
# 62 GLY H 64 ASN H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1374,1396, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 62 GLY H 65 VAL H 5.43
&rst
ixpk= 0, nxpk= 0, iat=1374,1410, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 62 GLY H 65 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1374,1414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLY H 65 VAL QG2 3.80
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1420,1421,1422,
&end
#
# 62 GLY H 102 LEU QQD 4.77
&rst
ixpk= 0, nxpk= 0, iat=1374, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 62 GLY H 104 GLY H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1374,2052, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 62 GLY H 104 GLY HA2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1374,2054, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 62 GLY H 105 GLU H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1374,2059, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 62 GLY QA 63 GLU H 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr1=1376,1377,
&end
#
# 62 GLY QA 63 GLU HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1383, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1376,1377,
&end
#
# 62 GLY QA 63 GLU HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1376,1377,
&end
#
# 62 GLY QA 63 GLU HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1376,1377,
&end
#
# 62 GLY QA 63 GLU HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1376,1377,
&end
#
# 62 GLY QA 63 GLU HG3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1376,1377,
&end
#
# 62 GLY QA 64 ASN H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1396, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1376,1377,
&end
#
# 62 GLY QA 65 VAL QG2 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1376,1377,
igr2=1420,1421,1422,
&end
#
# 62 GLY QA 104 GLY HA2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1376,1377,
&end
#
# 63 GLU H 63 GLU HA 2.79
&rst
ixpk= 0, nxpk= 0, iat=1381,1383, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 63 GLU H 63 GLU HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 63 GLU H 63 GLU HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 63 GLU H 63 GLU HG2 3.28
&rst
ixpk= 0, nxpk= 0, iat=1381,1388, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 63 GLU H 63 GLU HG3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1381,1389, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 63 GLU H 64 ASN H 2.99
&rst
ixpk= 0, nxpk= 0, iat=1381,1396, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 63 GLU H 64 ASN HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=1381,1398, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 63 GLU H 64 ASN HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat=1381,1401, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 63 GLU H 64 ASN HD21 4.69
&rst
ixpk= 0, nxpk= 0, iat=1381,1406, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 63 GLU H 64 ASN HD22 4.94
&rst
ixpk= 0, nxpk= 0, iat=1381,1405, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 63 GLU H 65 VAL H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1381,1410, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 63 GLU H 65 VAL QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1420,1421,1422,
&end
#
# 63 GLU H 102 LEU HB2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1381,2015, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 63 GLU H 102 LEU HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat=1381,2016, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 63 GLU H 102 LEU HG 5.02
&rst
ixpk= 0, nxpk= 0, iat=1381,2018, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 63 GLU H 102 LEU QQD 4.20
&rst
ixpk= 0, nxpk= 0, iat=1381, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 63 GLU HA 63 GLU HG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 63 GLU HA 63 GLU HG3 3.98
&rst
ixpk= 0, nxpk= 0, iat=1383,1389, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 63 GLU HA 64 ASN HA 5.09
&rst
ixpk= 0, nxpk= 0, iat=1383,1398, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 63 GLU HA 65 VAL H 3.94
&rst
ixpk= 0, nxpk= 0, iat=1383,1410, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 63 GLU HA 65 VAL QG2 4.35
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1420,1421,1422,
&end
#
# 63 GLU HA 102 LEU H 4.17
&rst
ixpk= 0, nxpk= 0, iat=1383,2011, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 GLU HA 102 LEU HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=1383,2013, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 63 GLU HA 102 LEU HB2 2.80
&rst
ixpk= 0, nxpk= 0, iat=1383,2015, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 GLU HA 102 LEU HB3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1383,2016, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 63 GLU HA 102 LEU HG 3.83
&rst
ixpk= 0, nxpk= 0, iat=1383,2018, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 63 GLU HA 102 LEU QD1 3.70
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2020,2021,2022,
&end
#
# 63 GLU HA 102 LEU QD2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2024,2025,2026,
&end
#
# 63 GLU HA 102 LEU QQD 2.99
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 63 GLU HB2 64 ASN H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1385,1396, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 63 GLU HB2 64 ASN HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat=1385,1401, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 63 GLU HB2 102 LEU H 5.14
&rst
ixpk= 0, nxpk= 0, iat=1385,2011, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 63 GLU HB2 102 LEU HG 4.95
&rst
ixpk= 0, nxpk= 0, iat=1385,2018, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 63 GLU HB2 102 LEU QQD 5.35
&rst
ixpk= 0, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 63 GLU HB3 64 ASN H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1386,1396, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 63 GLU HB3 102 LEU H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1386,2011, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 63 GLU HB3 102 LEU HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat=1386,2016, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 63 GLU HB3 102 LEU HG 4.78
&rst
ixpk= 0, nxpk= 0, iat=1386,2018, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 63 GLU HB3 102 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2020,2021,2022,
&end
#
# 63 GLU HB3 102 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2024,2025,2026,
&end
#
# 63 GLU HB3 102 LEU QQD 4.66
&rst
ixpk= 0, nxpk= 0, iat=1386, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 63 GLU HG2 64 ASN H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1388,1396, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 63 GLU HG2 64 ASN HA 5.70
&rst
ixpk= 0, nxpk= 0, iat=1388,1398, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 63 GLU HG2 64 ASN HD21 4.80
&rst
ixpk= 0, nxpk= 0, iat=1388,1406, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 63 GLU HG2 64 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1388,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLU HG2 65 VAL QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1420,1421,1422,
&end
#
# 63 GLU HG2 102 LEU HG 5.90
&rst
ixpk= 0, nxpk= 0, iat=1388,2018, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 63 GLU HG2 102 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 63 GLU HG3 64 ASN H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1389,1396, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 63 GLU HG3 64 ASN HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1389,1398, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 63 GLU HG3 64 ASN HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1389,1401, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 63 GLU HG3 64 ASN HD21 4.66
&rst
ixpk= 0, nxpk= 0, iat=1389,1406, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 63 GLU HG3 64 ASN HD22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1389,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 GLU HG3 102 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 64 ASN H 64 ASN HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat=1396,1400, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 64 ASN H 64 ASN HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat=1396,1401, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 64 ASN H 64 ASN HD21 3.90
&rst
ixpk= 0, nxpk= 0, iat=1396,1406, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 64 ASN H 64 ASN HD22 4.47
&rst
ixpk= 0, nxpk= 0, iat=1396,1405, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 ASN H 65 VAL H 2.81
&rst
ixpk= 0, nxpk= 0, iat=1396,1410, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 64 ASN H 65 VAL HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1396,1412, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 64 ASN H 65 VAL QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1420,1421,1422,
&end
#
# 64 ASN H 102 LEU QQD 4.73
&rst
ixpk= 0, nxpk= 0, iat=1396, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 64 ASN HA 64 ASN HB2 2.82
&rst
ixpk= 0, nxpk= 0, iat=1398,1400, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 64 ASN HA 64 ASN HB3 2.95
&rst
ixpk= 0, nxpk= 0, iat=1398,1401, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 64 ASN HA 64 ASN HD21 4.01
&rst
ixpk= 0, nxpk= 0, iat=1398,1406, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 64 ASN HA 64 ASN HD22 5.11
&rst
ixpk= 0, nxpk= 0, iat=1398,1405, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 64 ASN HA 65 VAL H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1398,1410, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 64 ASN HA 65 VAL HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1398,1412, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 64 ASN HA 65 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1420,1421,1422,
&end
#
# 64 ASN HB2 64 ASN HD21 3.54
&rst
ixpk= 0, nxpk= 0, iat=1400,1406, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 64 ASN HB2 65 VAL H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1400,1410, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 64 ASN HB2 65 VAL HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1400,1412, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 64 ASN HB2 65 VAL QG2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1420,1421,1422,
&end
#
# 64 ASN HB2 129 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1400,2415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 ASN HB2 129 SER HB3 5.47
&rst
ixpk= 0, nxpk= 0, iat=1400,2416, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 64 ASN HB3 64 ASN HD21 3.05
&rst
ixpk= 0, nxpk= 0, iat=1401,1406, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 64 ASN HB3 64 ASN HD22 3.54
&rst
ixpk= 0, nxpk= 0, iat=1401,1405, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 64 ASN HB3 65 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1401,1410, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 64 ASN HB3 65 VAL QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1420,1421,1422,
&end
#
# 64 ASN HD22 65 VAL QG2 3.55
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1420,1421,1422,
&end
#
# 64 ASN HD22 128 PHE HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat=1405,2396, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 64 ASN HD22 129 SER HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1405,2415, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 64 ASN HD22 129 SER HB3 3.93
&rst
ixpk= 0, nxpk= 0, iat=1405,2416, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 65 VAL H 65 VAL HB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1410,1414, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 65 VAL H 65 VAL QG2 2.55
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
igr2=1420,1421,1422,
&end
#
# 65 VAL H 66 THR H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1410,1426, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 65 VAL H 66 THR QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1432,1433,1434,
&end
#
# 65 VAL H 93 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 65 VAL H 102 LEU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1410,2016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL H 102 LEU HG 4.83
&rst
ixpk= 0, nxpk= 0, iat=1410,2018, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 65 VAL H 102 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 65 VAL HA 65 VAL HB 3.01
&rst
ixpk= 0, nxpk= 0, iat=1412,1414, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 65 VAL HA 65 VAL QG1 2.71
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
igr2=1416,1417,1418,
&end
#
# 65 VAL HA 65 VAL QG2 2.92
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1420,1421,1422,
&end
#
# 65 VAL HA 66 THR H 2.66
&rst
ixpk= 0, nxpk= 0, iat=1412,1426, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 65 VAL HA 66 THR HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=1412,1428, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 65 VAL HA 66 THR QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1432,1433,1434,
&end
#
# 65 VAL HA 69 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1412,1476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HA 69 SER HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=1412,1479, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 65 VAL HA 70 VAL H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1412,1485, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 65 VAL HA 102 LEU QQD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 65 VAL HA 128 PHE HZ 5.41
&rst
ixpk= 0, nxpk= 0, iat=1412,2403, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 65 VAL HA 128 PHE QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2401,2405,
&end
#
# 65 VAL HA 129 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1412,2415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HB 66 THR HA 4.55
&rst
ixpk= 0, nxpk= 0, iat=1414,1428, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 65 VAL HB 66 THR HB 5.80
&rst
ixpk= 0, nxpk= 0, iat=1414,1430, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 65 VAL HB 66 THR QG2 5.34
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1432,1433,1434,
&end
#
# 65 VAL HB 69 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1414,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HB 69 SER HB3 4.79
&rst
ixpk= 0, nxpk= 0, iat=1414,1479, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 65 VAL HB 70 VAL H 5.40
&rst
ixpk= 0, nxpk= 0, iat=1414,1485, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 65 VAL HB 70 VAL QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1491,1492,1493,
&end
#
# 65 VAL HB 93 LEU QD1 5.01
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1872,1873,1874,
&end
#
# 65 VAL HB 93 LEU QD2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1876,1877,1878,
&end
#
# 65 VAL HB 93 LEU QQD 3.89
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 65 VAL HB 102 LEU HG 5.40
&rst
ixpk= 0, nxpk= 0, iat=1414,2018, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 65 VAL HB 102 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 65 VAL HB 128 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1414,2403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 65 VAL HB 128 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2401,2405,
&end
#
# 65 VAL QG1 66 THR H 2.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 66 THR HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1428, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 66 THR QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1416,1417,1418,
igr2=1432,1433,1434,
&end
#
# 65 VAL QG1 69 SER HA 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 69 SER HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 69 SER HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 70 VAL HA 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 73 TYR HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 73 TYR QD 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1416,1417,1418,
igr2=1531,1540,
&end
#
# 65 VAL QG1 93 LEU HB3 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 93 LEU QQD 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1416,1417,1418,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 65 VAL QG1 128 PHE HZ 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1416,1417,1418,
&end
#
# 65 VAL QG1 128 PHE QD 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1416,1417,1418,
igr2=2399,2407,
&end
#
# 65 VAL QG1 128 PHE QE 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1416,1417,1418,
igr2=2401,2405,
&end
#
# 65 VAL QG2 66 THR H 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1426, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1420,1421,1422,
&end
#
# 65 VAL QG2 69 SER HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1420,1421,1422,
&end
#
# 65 VAL QG2 102 LEU HG 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1420,1421,1422,
&end
#
# 65 VAL QG2 102 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1420,1421,1422,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 65 VAL QG2 104 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1420,1421,1422,
&end
#
# 65 VAL QG2 128 PHE HB3 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2396, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1420,1421,1422,
&end
#
# 65 VAL QG2 128 PHE QD 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1420,1421,1422,
igr2=2399,2407,
&end
#
# 65 VAL QG2 128 PHE QE 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1420,1421,1422,
igr2=2401,2405,
&end
#
# 65 VAL QG2 129 SER HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1420,1421,1422,
&end
#
# 65 VAL QG2 129 SER HB3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2416, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1420,1421,1422,
&end
#
# 66 THR H 66 THR HG1 5.15
&rst
ixpk= 0, nxpk= 0, iat=1426,1436, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 66 THR H 67 ILE H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1426,1440, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 66 THR H 68 GLU H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1426,1459, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 66 THR H 69 SER H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1426,1474, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 67 ILE H 67 ILE HB 3.16
&rst
ixpk= 0, nxpk= 0, iat=1440,1444, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 67 ILE H 67 ILE HG12 3.49
&rst
ixpk= 0, nxpk= 0, iat=1440,1450, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 67 ILE H 67 ILE HG13 3.55
&rst
ixpk= 0, nxpk= 0, iat=1440,1451, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 67 ILE H 67 ILE QD1 3.25
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1453,1454,1455,
&end
#
# 67 ILE H 67 ILE QG2 3.95
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1446,1447,1448,
&end
#
# 67 ILE H 68 GLU H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1440,1459, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 67 ILE H 68 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1440,1461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE H 68 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1440,1464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE H 69 SER H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1440,1474, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 67 ILE H 70 VAL QG2 3.86
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1495,1496,1497,
&end
#
# 67 ILE H 91 ILE HB 5.46
&rst
ixpk= 0, nxpk= 0, iat=1440,1834, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 67 ILE H 91 ILE QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1836,1837,1838,
&end
#
# 67 ILE H 93 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1440,1870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE H 93 LEU QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1872,1873,1874,
&end
#
# 67 ILE H 93 LEU QD2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1876,1877,1878,
&end
#
# 67 ILE H 93 LEU QQD 3.28
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 67 ILE HA 67 ILE HG12 3.27
&rst
ixpk= 0, nxpk= 0, iat=1442,1450, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 67 ILE HA 67 ILE HG13 3.81
&rst
ixpk= 0, nxpk= 0, iat=1442,1451, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 67 ILE HA 67 ILE QD1 2.81
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1453,1454,1455,
&end
#
# 67 ILE HA 67 ILE QG2 2.65
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1446,1447,1448,
&end
#
# 67 ILE HA 68 GLU HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=1442,1461, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 67 ILE HA 69 SER H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1442,1474, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 67 ILE HA 70 VAL H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1442,1485, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 67 ILE HA 70 VAL HB 4.78
&rst
ixpk= 0, nxpk= 0, iat=1442,1489, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 67 ILE HA 70 VAL QG1 4.33
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1491,1492,1493,
&end
#
# 67 ILE HA 70 VAL QG2 2.94
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1495,1496,1497,
&end
#
# 67 ILE HA 71 ALA H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1442,1501, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 67 ILE HA 71 ALA QB 4.64
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1505,1506,1507,
&end
#
# 67 ILE HA 89 PRO HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=1442,1803, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 67 ILE HA 91 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1843,1844,1845,
&end
#
# 67 ILE HA 91 ILE QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1836,1837,1838,
&end
#
# 67 ILE HA 93 LEU HG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1442,1870, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 67 ILE HA 93 LEU QD1 3.73
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1872,1873,1874,
&end
#
# 67 ILE HA 93 LEU QD2 3.73
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1876,1877,1878,
&end
#
# 67 ILE HA 93 LEU QQD 3.20
&rst
ixpk= 0, nxpk= 0, iat=1442, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 67 ILE HB 67 ILE QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1453,1454,1455,
&end
#
# 67 ILE HB 68 GLU H 3.07
&rst
ixpk= 0, nxpk= 0, iat=1444,1459, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 67 ILE HB 68 GLU HA 4.38
&rst
ixpk= 0, nxpk= 0, iat=1444,1461, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 67 ILE HB 68 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1444,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HB 69 SER H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1444,1474, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 67 ILE HB 70 VAL QG2 4.44
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1495,1496,1497,
&end
#
# 67 ILE HB 71 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1505,1506,1507,
&end
#
# 67 ILE HB 91 ILE HB 5.01
&rst
ixpk= 0, nxpk= 0, iat=1444,1834, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 67 ILE HB 93 LEU QQD 4.45
&rst
ixpk= 0, nxpk= 0, iat=1444, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 67 ILE HG12 68 GLU H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1450,1459, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 67 ILE HG12 91 ILE HB 4.47
&rst
ixpk= 0, nxpk= 0, iat=1450,1834, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 67 ILE HG12 93 LEU HG 5.41
&rst
ixpk= 0, nxpk= 0, iat=1450,1870, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 67 ILE HG12 93 LEU QD1 4.65
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1872,1873,1874,
&end
#
# 67 ILE HG12 93 LEU QD2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1876,1877,1878,
&end
#
# 67 ILE HG12 93 LEU QQD 3.14
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 67 ILE HG13 68 GLU H 4.95
&rst
ixpk= 0, nxpk= 0, iat=1451,1459, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 67 ILE HG13 89 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1451,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HG13 92 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1451,1851, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 ILE HG13 93 LEU QQD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1451, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 67 ILE QD1 70 VAL QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1453,1454,1455,
igr2=1495,1496,1497,
&end
#
# 67 ILE QD1 88 GLN HE22 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 89 PRO HD2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 90 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 91 ILE H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 91 ILE HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1832, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 91 ILE HB 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 91 ILE QG2 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1453,1454,1455,
igr2=1836,1837,1838,
&end
#
# 67 ILE QD1 92 ASN HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 92 ASN QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1453,1454,1455,
igr2=1853,1854,
&end
#
# 67 ILE QD1 93 LEU H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1863, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 93 LEU HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1867, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 93 LEU HG 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 93 LEU QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1453,1454,1455,
igr2=1872,1873,1874,
&end
#
# 67 ILE QD1 93 LEU QD2 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1453,1454,1455,
igr2=1876,1877,1878,
&end
#
# 67 ILE QD1 93 LEU QQD 2.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1453,1454,1455,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 67 ILE QD1 108 VAL HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1453,1454,1455,
&end
#
# 67 ILE QD1 108 VAL QG2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
igr1=1453,1454,1455,
igr2=2108,2109,2110,
&end
#
# 67 ILE QG2 67 ILE HG12 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 67 ILE HG13 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1451, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 68 GLU H 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1459, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 68 GLU HA 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 68 GLU HB2 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1463, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 68 GLU HB3 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 68 GLU HG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1466, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 88 GLN HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 88 GLN HB2 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 88 GLN HE21 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1795, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 88 GLN HE22 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1794, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 88 GLN HG2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 88 GLN HG3 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 89 PRO HB2 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 89 PRO HD2 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 89 PRO HD3 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 89 PRO HG2 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 89 PRO HG3 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 90 MET HA 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 91 ILE H 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 91 ILE HB 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 91 ILE HG12 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 91 ILE HG13 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1446,1447,1448,
&end
#
# 67 ILE QG2 108 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1446,1447,1448,
igr2=2108,2109,2110,
&end
#
# 68 GLU H 68 GLU HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1459,1463, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 68 GLU H 68 GLU HB3 3.04
&rst
ixpk= 0, nxpk= 0, iat=1459,1464, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 68 GLU H 68 GLU HG2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1459,1466, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 68 GLU H 68 GLU HG3 3.41
&rst
ixpk= 0, nxpk= 0, iat=1459,1467, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 68 GLU H 69 SER H 3.15
&rst
ixpk= 0, nxpk= 0, iat=1459,1474, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 68 GLU H 69 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1459,1476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 GLU H 69 SER HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1459,1478, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 68 GLU H 69 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1459,1479, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 GLU H 70 VAL H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1459,1485, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 68 GLU H 70 VAL QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1495,1496,1497,
&end
#
# 68 GLU H 71 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1505,1506,1507,
&end
#
# 68 GLU H 93 LEU QQD 4.88
&rst
ixpk= 0, nxpk= 0, iat=1459, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 68 GLU HA 68 GLU HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1461,1466, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 68 GLU HA 68 GLU HG3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1461,1467, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 68 GLU HA 69 SER HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=1461,1476, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 68 GLU HA 70 VAL H 5.39
&rst
ixpk= 0, nxpk= 0, iat=1461,1485, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 68 GLU HA 70 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1495,1496,1497,
&end
#
# 68 GLU HA 71 ALA H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1461,1501, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 68 GLU HA 71 ALA QB 3.13
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1505,1506,1507,
&end
#
# 68 GLU HA 72 ASP H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1461,1511, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 68 GLU HB2 68 GLU HG3 2.75
&rst
ixpk= 0, nxpk= 0, iat=1463,1467, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 68 GLU HB2 69 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1463,1474, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 68 GLU HB2 69 SER HA 4.43
&rst
ixpk= 0, nxpk= 0, iat=1463,1476, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 68 GLU HB2 69 SER HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat=1463,1478, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 68 GLU HB2 71 ALA QB 5.13
&rst
ixpk= 0, nxpk= 0, iat=1463, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1505,1506,1507,
&end
#
# 68 GLU HB2 72 ASP H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1463,1511, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 68 GLU HB3 68 GLU HG2 2.85
&rst
ixpk= 0, nxpk= 0, iat=1464,1466, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 68 GLU HB3 69 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1464,1474, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 GLU HB3 71 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1505,1506,1507,
&end
#
# 68 GLU HG2 69 SER H 3.30
&rst
ixpk= 0, nxpk= 0, iat=1466,1474, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 68 GLU HG2 69 SER HA 5.39
&rst
ixpk= 0, nxpk= 0, iat=1466,1476, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 68 GLU HG2 69 SER HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1466,1478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 68 GLU HG2 70 VAL H 5.46
&rst
ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 68 GLU HG2 70 VAL QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1495,1496,1497,
&end
#
# 68 GLU HG3 69 SER H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1467,1474, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 68 GLU HG3 69 SER HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=1467,1476, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 68 GLU HG3 69 SER HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1467,1478, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 68 GLU HG3 70 VAL H 5.03
&rst
ixpk= 0, nxpk= 0, iat=1467,1485, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 68 GLU HG3 70 VAL QG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1495,1496,1497,
&end
#
# 68 GLU HG3 72 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1467,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER H 69 SER HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1474,1478, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 69 SER H 69 SER HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat=1474,1479, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 69 SER H 70 VAL H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1474,1485, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 69 SER H 70 VAL QG1 4.88
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1491,1492,1493,
&end
#
# 69 SER H 70 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1495,1496,1497,
&end
#
# 69 SER H 71 ALA H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1474,1501, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 69 SER H 71 ALA QB 5.07
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1505,1506,1507,
&end
#
# 69 SER H 72 ASP H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1474,1511, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 69 SER H 128 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1474,2403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HA 69 SER HB2 3.00
&rst
ixpk= 0, nxpk= 0, iat=1476,1478, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 69 SER HA 69 SER HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat=1476,1479, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 69 SER HA 70 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1495,1496,1497,
&end
#
# 69 SER HA 72 ASP H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1476,1511, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 69 SER HA 72 ASP HB2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1476,1515, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 69 SER HA 72 ASP HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat=1476,1516, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 69 SER HA 73 TYR HB2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1476,1527, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 69 SER HA 128 PHE HZ 5.21
&rst
ixpk= 0, nxpk= 0, iat=1476,2403, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 69 SER HA 128 PHE QE 4.92
&rst
ixpk= 0, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2401,2405,
&end
#
# 69 SER HB2 70 VAL H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1478,1485, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 69 SER HB2 72 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1478,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HB2 128 PHE HZ 4.93
&rst
ixpk= 0, nxpk= 0, iat=1478,2403, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 69 SER HB2 128 PHE QE 5.32
&rst
ixpk= 0, nxpk= 0, iat=1478, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2401,2405,
&end
#
# 69 SER HB3 70 VAL H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1479,1485, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 69 SER HB3 72 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1479,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HB3 73 TYR HB2 5.27
&rst
ixpk= 0, nxpk= 0, iat=1479,1527, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 69 SER HB3 128 PHE HZ 4.22
&rst
ixpk= 0, nxpk= 0, iat=1479,2403, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 VAL H 70 VAL HB 3.62
&rst
ixpk= 0, nxpk= 0, iat=1485,1489, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 70 VAL H 70 VAL QG1 2.68
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2=1491,1492,1493,
&end
#
# 70 VAL H 70 VAL QG2 2.79
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=1495,1496,1497,
&end
#
# 70 VAL H 71 ALA H 3.10
&rst
ixpk= 0, nxpk= 0, iat=1485,1501, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 70 VAL H 71 ALA QB 4.73
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1505,1506,1507,
&end
#
# 70 VAL H 72 ASP H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1485,1511, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 70 VAL H 73 TYR H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1485,1523, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 70 VAL H 91 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1485,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 VAL H 91 ILE QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1836,1837,1838,
&end
#
# 70 VAL H 93 LEU QD1 5.05
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1872,1873,1874,
&end
#
# 70 VAL H 93 LEU QD2 5.05
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1876,1877,1878,
&end
#
# 70 VAL H 93 LEU QQD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 70 VAL H 108 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2108,2109,2110,
&end
#
# 70 VAL H 128 PHE HZ 4.10
&rst
ixpk= 0, nxpk= 0, iat=1485,2403, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 70 VAL H 128 PHE QE 4.71
&rst
ixpk= 0, nxpk= 0, iat=1485, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2401,2405,
&end
#
# 70 VAL HA 70 VAL QG1 2.59
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=1491,1492,1493,
&end
#
# 70 VAL HA 70 VAL QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1495,1496,1497,
&end
#
# 70 VAL HA 71 ALA HA 4.84
&rst
ixpk= 0, nxpk= 0, iat=1487,1503, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 70 VAL HA 71 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1505,1506,1507,
&end
#
# 70 VAL HA 72 ASP H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1487,1511, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 70 VAL HA 73 TYR H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1487,1523, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 70 VAL HA 73 TYR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1487,1525, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 VAL HA 73 TYR HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat=1487,1527, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 70 VAL HA 73 TYR HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat=1487,1528, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 70 VAL HA 73 TYR QD 4.16
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1531,1540,
&end
#
# 70 VAL HA 73 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1533,1538,
&end
#
# 70 VAL HA 74 PHE H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1487,1544, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 70 VAL HA 74 PHE QD 3.76
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1552,1560,
&end
#
# 70 VAL HA 74 PHE QE 4.11
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1554,1558,
&end
#
# 70 VAL HA 91 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1836,1837,1838,
&end
#
# 70 VAL HA 93 LEU QQD 4.76
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 70 VAL HA 106 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2078,2079,2080,
&end
#
# 70 VAL HA 108 VAL QG2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2108,2109,2110,
&end
#
# 70 VAL HA 128 PHE HZ 3.32
&rst
ixpk= 0, nxpk= 0, iat=1487,2403, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 70 VAL HA 128 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2399,2407,
&end
#
# 70 VAL HA 128 PHE QE 3.12
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=2401,2405,
&end
#
# 70 VAL HB 71 ALA H 3.32
&rst
ixpk= 0, nxpk= 0, iat=1489,1501, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 70 VAL HB 71 ALA HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=1489,1503, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 70 VAL HB 71 ALA QB 4.38
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1505,1506,1507,
&end
#
# 70 VAL HB 73 TYR QD 5.03
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1531,1540,
&end
#
# 70 VAL HB 74 PHE H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1489,1544, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 70 VAL HB 74 PHE QD 4.72
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1552,1560,
&end
#
# 70 VAL HB 91 ILE HB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1489,1834, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 70 VAL HB 91 ILE HG13 4.81
&rst
ixpk= 0, nxpk= 0, iat=1489,1841, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 70 VAL HB 91 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1843,1844,1845,
&end
#
# 70 VAL HB 91 ILE QG2 3.27
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1836,1837,1838,
&end
#
# 70 VAL HB 93 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1872,1873,1874,
&end
#
# 70 VAL HB 93 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1876,1877,1878,
&end
#
# 70 VAL HB 93 LEU QQD 3.98
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 70 VAL HB 108 VAL QG1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2104,2105,2106,
&end
#
# 70 VAL HB 108 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2108,2109,2110,
&end
#
# 70 VAL HB 128 PHE HZ 5.46
&rst
ixpk= 0, nxpk= 0, iat=1489,2403, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 70 VAL HB 128 PHE QE 4.74
&rst
ixpk= 0, nxpk= 0, iat=1489, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2401,2405,
&end
#
# 70 VAL QG1 71 ALA H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1491,1492,1493,
&end
#
# 70 VAL QG1 73 TYR H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1491,1492,1493,
&end
#
# 70 VAL QG1 73 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1527, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1491,1492,1493,
&end
#
# 70 VAL QG1 73 TYR HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1528, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1491,1492,1493,
&end
#
# 70 VAL QG1 74 PHE QD 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1491,1492,1493,
igr2=1552,1560,
&end
#
# 70 VAL QG1 74 PHE QE 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1491,1492,1493,
igr2=1554,1558,
&end
#
# 70 VAL QG1 93 LEU QQD 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1491,1492,1493,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 70 VAL QG1 106 ALA H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1491,1492,1493,
&end
#
# 70 VAL QG1 106 ALA HA 5.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1491,1492,1493,
&end
#
# 70 VAL QG1 106 ALA QB 2.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1491,1492,1493,
igr2=2078,2079,2080,
&end
#
# 70 VAL QG1 107 THR H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1491,1492,1493,
&end
#
# 70 VAL QG1 108 VAL QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1491,1492,1493,
igr2=2108,2109,2110,
&end
#
# 70 VAL QG1 128 PHE QD 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1491,1492,1493,
igr2=2399,2407,
&end
#
# 70 VAL QG1 128 PHE QE 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1491,1492,1493,
igr2=2401,2405,
&end
#
# 70 VAL QG2 71 ALA H 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1501, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 71 ALA HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1503, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 71 ALA QB 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1495,1496,1497,
igr2=1505,1506,1507,
&end
#
# 70 VAL QG2 72 ASP H 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 73 TYR H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 74 PHE HB2 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 91 ILE HB 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1834, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 91 ILE HG13 2.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 91 ILE QG2 2.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1=1495,1496,1497,
igr2=1836,1837,1838,
&end
#
# 70 VAL QG2 92 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 93 LEU HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1868, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 93 LEU QQD 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1495,1496,1497,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 70 VAL QG2 108 VAL HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1495,1496,1497,
&end
#
# 70 VAL QG2 108 VAL QG1 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1495,1496,1497,
igr2=2104,2105,2106,
&end
#
# 70 VAL QG2 108 VAL QG2 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1495,1496,1497,
igr2=2108,2109,2110,
&end
#
# 71 ALA H 71 ALA QB 2.50
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=1505,1506,1507,
&end
#
# 71 ALA H 72 ASP H 3.18
&rst
ixpk= 0, nxpk= 0, iat=1501,1511, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 71 ALA H 72 ASP HA 5.49
&rst
ixpk= 0, nxpk= 0, iat=1501,1513, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 71 ALA H 72 ASP HB2 5.24
&rst
ixpk= 0, nxpk= 0, iat=1501,1515, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 71 ALA H 72 ASP HB3 5.37
&rst
ixpk= 0, nxpk= 0, iat=1501,1516, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 71 ALA H 73 TYR H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1501,1523, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 71 ALA H 74 PHE HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1501,1548, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 71 ALA H 80 ILE HG13 5.26
&rst
ixpk= 0, nxpk= 0, iat=1501,1659, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 71 ALA H 80 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1661,1662,1663,
&end
#
# 71 ALA H 89 PRO HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1501,1806, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 71 ALA H 89 PRO HG2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1501,1803, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 71 ALA H 89 PRO HG3 5.09
&rst
ixpk= 0, nxpk= 0, iat=1501,1804, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 71 ALA H 91 ILE QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1843,1844,1845,
&end
#
# 71 ALA H 91 ILE QG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1836,1837,1838,
&end
#
# 71 ALA H 108 VAL QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat=1501, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2108,2109,2110,
&end
#
# 71 ALA H 128 PHE HZ 5.46
&rst
ixpk= 0, nxpk= 0, iat=1501,2403, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 71 ALA HA 73 TYR H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1503,1523, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 71 ALA HA 74 PHE H 4.06
&rst
ixpk= 0, nxpk= 0, iat=1503,1544, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 71 ALA HA 74 PHE HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat=1503,1548, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 71 ALA HA 74 PHE HB3 4.88
&rst
ixpk= 0, nxpk= 0, iat=1503,1549, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 71 ALA HA 74 PHE QD 4.48
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1552,1560,
&end
#
# 71 ALA HA 75 LYS H 4.39
&rst
ixpk= 0, nxpk= 0, iat=1503,1564, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 71 ALA HA 75 LYS HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1503,1569, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 71 ALA HA 75 LYS HG2 5.16
&rst
ixpk= 0, nxpk= 0, iat=1503,1571, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 71 ALA HA 80 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1503,1648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ALA HA 80 ILE HB 4.51
&rst
ixpk= 0, nxpk= 0, iat=1503,1652, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 71 ALA HA 80 ILE HG12 5.04
&rst
ixpk= 0, nxpk= 0, iat=1503,1658, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 71 ALA HA 80 ILE HG13 3.02
&rst
ixpk= 0, nxpk= 0, iat=1503,1659, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 71 ALA HA 80 ILE QD1 2.80
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1661,1662,1663,
&end
#
# 71 ALA HA 80 ILE QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1654,1655,1656,
&end
#
# 71 ALA HA 89 PRO HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1503,1806, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 71 ALA HA 89 PRO HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat=1503,1807, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 71 ALA HA 91 ILE QD1 3.20
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1843,1844,1845,
&end
#
# 71 ALA HA 91 ILE QG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1836,1837,1838,
&end
#
# 71 ALA HA 108 VAL QG1 4.41
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2104,2105,2106,
&end
#
# 71 ALA HA 108 VAL QG2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1503, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=2108,2109,2110,
&end
#
# 71 ALA QB 72 ASP H 2.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1511, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 72 ASP HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1513, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 72 ASP HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1515, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 72 ASP HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 73 TYR H 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1523, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 74 PHE H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 74 PHE HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 74 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1505,1506,1507,
igr2=1552,1560,
&end
#
# 71 ALA QB 80 ILE HB 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1652, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 80 ILE HG12 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 80 ILE HG13 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 80 ILE QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1505,1506,1507,
igr2=1661,1662,1663,
&end
#
# 71 ALA QB 80 ILE QG2 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1505,1506,1507,
igr2=1654,1655,1656,
&end
#
# 71 ALA QB 89 PRO HB2 2.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 89 PRO HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 89 PRO HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 89 PRO HD3 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 89 PRO HG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 89 PRO HG3 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1505,1506,1507,
&end
#
# 71 ALA QB 91 ILE QD1 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1505,1506,1507,
igr2=1843,1844,1845,
&end
#
# 71 ALA QB 108 VAL QG1 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1505,1506,1507,
igr2=2104,2105,2106,
&end
#
# 71 ALA QB 108 VAL QG2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
igr1=1505,1506,1507,
igr2=2108,2109,2110,
&end
#
# 72 ASP H 72 ASP HB2 2.78
&rst
ixpk= 0, nxpk= 0, iat=1511,1515, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 72 ASP H 72 ASP HB3 2.81
&rst
ixpk= 0, nxpk= 0, iat=1511,1516, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 72 ASP H 73 TYR H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1511,1523, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 72 ASP H 73 TYR HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1511,1525, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 72 ASP H 73 TYR HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat=1511,1528, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 72 ASP H 74 PHE H 5.08
&rst
ixpk= 0, nxpk= 0, iat=1511,1544, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 72 ASP H 74 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1511, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1552,1560,
&end
#
# 72 ASP H 75 LYS HG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1511,1571, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 72 ASP H 80 ILE HG13 4.83
&rst
ixpk= 0, nxpk= 0, iat=1511,1659, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 72 ASP HA 72 ASP HB2 2.90
&rst
ixpk= 0, nxpk= 0, iat=1513,1515, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 72 ASP HA 74 PHE H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1513,1544, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 72 ASP HA 75 LYS H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1513,1564, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 72 ASP HA 75 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1513,1566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ASP HA 75 LYS HB2 4.72
&rst
ixpk= 0, nxpk= 0, iat=1513,1568, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 72 ASP HA 75 LYS HB3 4.33
&rst
ixpk= 0, nxpk= 0, iat=1513,1569, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 72 ASP HA 75 LYS HD2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1513,1574, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 72 ASP HA 75 LYS HD3 3.01
&rst
ixpk= 0, nxpk= 0, iat=1513,1575, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 72 ASP HA 75 LYS HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1513,1571, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 72 ASP HA 75 LYS HG3 3.94
&rst
ixpk= 0, nxpk= 0, iat=1513,1572, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 72 ASP HA 75 LYS QE 3.39
&rst
ixpk= 0, nxpk= 0, iat=1513, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1577,1578,
&end
#
# 72 ASP HB2 73 TYR H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1515,1523, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 72 ASP HB2 75 LYS HD3 4.36
&rst
ixpk= 0, nxpk= 0, iat=1515,1575, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 72 ASP HB3 73 TYR H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1516,1523, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 72 ASP HB3 73 TYR HA 4.56
&rst
ixpk= 0, nxpk= 0, iat=1516,1525, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 72 ASP HB3 73 TYR HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat=1516,1527, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 72 ASP HB3 75 LYS HD3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1516,1575, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 73 TYR H 73 TYR HB2 3.28
&rst
ixpk= 0, nxpk= 0, iat=1523,1527, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 73 TYR H 73 TYR HB3 3.07
&rst
ixpk= 0, nxpk= 0, iat=1523,1528, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 73 TYR H 73 TYR QD 4.12
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1531,1540,
&end
#
# 73 TYR H 74 PHE H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1523,1544, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 73 TYR H 74 PHE HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=1523,1546, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 73 TYR H 80 ILE QD1 4.80
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1661,1662,1663,
&end
#
# 73 TYR H 108 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1523, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2104,2105,2106,
&end
#
# 73 TYR H 128 PHE HZ 4.51
&rst
ixpk= 0, nxpk= 0, iat=1523,2403, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 73 TYR HA 73 TYR QD 3.19
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1531,1540,
&end
#
# 73 TYR HA 73 TYR QE 4.98
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1533,1538,
&end
#
# 73 TYR HA 75 LYS H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1525,1564, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 73 TYR HA 76 GLN H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1525,1586, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 73 TYR HA 76 GLN HE21 3.50
&rst
ixpk= 0, nxpk= 0, iat=1525,1599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 TYR HA 76 GLN HE22 4.25
&rst
ixpk= 0, nxpk= 0, iat=1525,1598, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 73 TYR HA 76 GLN HG2 4.01
&rst
ixpk= 0, nxpk= 0, iat=1525,1593, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 73 TYR HA 76 GLN HG3 5.20
&rst
ixpk= 0, nxpk= 0, iat=1525,1594, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 73 TYR HA 123 PHE HZ 5.09
&rst
ixpk= 0, nxpk= 0, iat=1525,2327, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 73 TYR HA 128 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1525, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2401,2405,
&end
#
# 73 TYR HB2 74 PHE H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1527,1544, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 73 TYR HB2 128 PHE HZ 4.86
&rst
ixpk= 0, nxpk= 0, iat=1527,2403, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 73 TYR HB2 128 PHE QD 5.03
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=2399,2407,
&end
#
# 73 TYR HB2 128 PHE QE 3.50
&rst
ixpk= 0, nxpk= 0, iat=1527, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2401,2405,
&end
#
# 73 TYR HB3 74 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1528,1546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 TYR HB3 74 PHE QE 4.59
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1554,1558,
&end
#
# 73 TYR HB3 128 PHE HZ 4.66
&rst
ixpk= 0, nxpk= 0, iat=1528,2403, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 73 TYR HB3 128 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2399,2407,
&end
#
# 73 TYR HB3 128 PHE QE 3.42
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=2401,2405,
&end
#
# 73 TYR QD 74 PHE H 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1531,1540,
&end
#
# 73 TYR QD 74 PHE HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1531,1540,
&end
#
# 73 TYR QD 74 PHE HB3 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1549, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1531,1540,
&end
#
# 73 TYR QD 74 PHE HZ 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1531,1540,
&end
#
# 73 TYR QD 74 PHE QD 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1531,1540,
igr2=1552,1560,
&end
#
# 73 TYR QD 74 PHE QE 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1531,1540,
igr2=1554,1558,
&end
#
# 73 TYR QD 76 GLN HE21 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1531,1540,
&end
#
# 73 TYR QD 76 GLN HE22 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1531,1540,
&end
#
# 73 TYR QD 123 PHE HZ 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1531,1540,
&end
#
# 73 TYR QD 123 PHE QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1531,1540,
igr2=2323,2331,
&end
#
# 73 TYR QD 128 PHE HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1531,1540,
&end
#
# 73 TYR QD 128 PHE QD 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=1531,1540,
igr2=2399,2407,
&end
#
# 73 TYR QD 128 PHE QE 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1531,1540,
igr2=2401,2405,
&end
#
# 73 TYR QD 133 ILE QD1 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1531,1540,
igr2=2470,2471,2472,
&end
#
# 73 TYR QE 74 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1538,
&end
#
# 73 TYR QE 74 PHE HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1533,1538,
&end
#
# 73 TYR QE 74 PHE HZ 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1533,1538,
&end
#
# 73 TYR QE 74 PHE QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1533,1538,
igr2=1552,1560,
&end
#
# 73 TYR QE 74 PHE QE 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1533,1538,
igr2=1554,1558,
&end
#
# 73 TYR QE 76 GLN HE21 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1599, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1533,1538,
&end
#
# 73 TYR QE 76 GLN HE22 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1598, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1533,1538,
&end
#
# 73 TYR QE 123 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1538,
&end
#
# 73 TYR QE 123 PHE QD 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1533,1538,
igr2=2323,2331,
&end
#
# 73 TYR QE 123 PHE QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1533,1538,
igr2=2325,2329,
&end
#
# 73 TYR QE 127 GLU HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1538,
&end
#
# 73 TYR QE 127 GLU HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2384, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1538,
&end
#
# 73 TYR QE 127 GLU QG 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1533,1538,
igr2=2383,2384,
&end
#
# 73 TYR QE 128 PHE HA 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1533,1538,
&end
#
# 73 TYR QE 128 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1538,
&end
#
# 73 TYR QE 128 PHE QE 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1533,1538,
igr2=2401,2405,
&end
#
# 73 TYR QE 133 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2461, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1533,1538,
&end
#
# 73 TYR QE 133 ILE QD1 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1533,1538,
igr2=2470,2471,2472,
&end
#
# 73 TYR QE 135 VAL QQG 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1=1533,1538,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 74 PHE H 74 PHE HB2 3.21
&rst
ixpk= 0, nxpk= 0, iat=1544,1548, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 74 PHE H 74 PHE HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat=1544,1549, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 74 PHE H 74 PHE QD 3.23
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=1552,1560,
&end
#
# 74 PHE H 74 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1554,1558,
&end
#
# 74 PHE H 75 LYS H 3.26
&rst
ixpk= 0, nxpk= 0, iat=1544,1564, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 74 PHE H 75 LYS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1544,1566, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 74 PHE H 75 LYS HB3 4.74
&rst
ixpk= 0, nxpk= 0, iat=1544,1569, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 74 PHE H 75 LYS HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1544,1572, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 74 PHE H 76 GLN H 4.88
&rst
ixpk= 0, nxpk= 0, iat=1544,1586, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 74 PHE H 76 GLN HE21 5.05
&rst
ixpk= 0, nxpk= 0, iat=1544,1599, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 74 PHE H 80 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1661,1662,1663,
&end
#
# 74 PHE H 108 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat=1544, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2104,2105,2106,
&end
#
# 74 PHE H 110 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1544,2137, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 PHE HA 74 PHE QD 3.11
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1552,1560,
&end
#
# 74 PHE HA 74 PHE QE 4.84
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1554,1558,
&end
#
# 74 PHE HA 75 LYS HA 4.85
&rst
ixpk= 0, nxpk= 0, iat=1546,1566, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 74 PHE HA 76 GLN H 4.01
&rst
ixpk= 0, nxpk= 0, iat=1546,1586, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 74 PHE HA 76 GLN HE21 4.49
&rst
ixpk= 0, nxpk= 0, iat=1546,1599, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 74 PHE HA 76 GLN HG3 4.51
&rst
ixpk= 0, nxpk= 0, iat=1546,1594, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 74 PHE HA 77 ILE H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1546,1603, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 74 PHE HA 77 ILE HB 4.91
&rst
ixpk= 0, nxpk= 0, iat=1546,1607, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 74 PHE HA 77 ILE HG13 4.97
&rst
ixpk= 0, nxpk= 0, iat=1546,1614, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 74 PHE HA 80 ILE QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1661,1662,1663,
&end
#
# 74 PHE HA 108 VAL QG1 5.12
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2=2104,2105,2106,
&end
#
# 74 PHE HA 110 PHE HZ 3.77
&rst
ixpk= 0, nxpk= 0, iat=1546,2137, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 74 PHE HA 119 ALA QB 4.07
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=2254,2255,2256,
&end
#
# 74 PHE HA 123 PHE HZ 3.82
&rst
ixpk= 0, nxpk= 0, iat=1546,2327, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 74 PHE HA 123 PHE QD 4.91
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2323,2331,
&end
#
# 74 PHE HA 123 PHE QE 3.66
&rst
ixpk= 0, nxpk= 0, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=2325,2329,
&end
#
# 74 PHE HB2 75 LYS H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1548,1564, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 74 PHE HB2 80 ILE QD1 3.10
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1661,1662,1663,
&end
#
# 74 PHE HB2 80 ILE QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2=1654,1655,1656,
&end
#
# 74 PHE HB2 91 ILE QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1843,1844,1845,
&end
#
# 74 PHE HB2 108 VAL QG1 3.88
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2104,2105,2106,
&end
#
# 74 PHE HB2 108 VAL QG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2108,2109,2110,
&end
#
# 74 PHE HB2 110 PHE HZ 4.29
&rst
ixpk= 0, nxpk= 0, iat=1548,2137, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 74 PHE HB2 110 PHE QE 4.75
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2135,2139,
&end
#
# 74 PHE HB2 123 PHE QE 5.30
&rst
ixpk= 0, nxpk= 0, iat=1548, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2325,2329,
&end
#
# 74 PHE HB3 75 LYS H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1549,1564, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 74 PHE HB3 75 LYS HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1549,1566, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 74 PHE HB3 76 GLN H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1549,1586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 PHE HB3 80 ILE QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1661,1662,1663,
&end
#
# 74 PHE HB3 80 ILE QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1654,1655,1656,
&end
#
# 74 PHE HB3 91 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1843,1844,1845,
&end
#
# 74 PHE HB3 108 VAL QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2104,2105,2106,
&end
#
# 74 PHE HB3 108 VAL QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2108,2109,2110,
&end
#
# 74 PHE HB3 110 PHE HZ 3.75
&rst
ixpk= 0, nxpk= 0, iat=1549,2137, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 74 PHE HB3 110 PHE QE 4.07
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=2135,2139,
&end
#
# 74 PHE HB3 119 ALA QB 4.11
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2254,2255,2256,
&end
#
# 74 PHE HB3 123 PHE QE 4.68
&rst
ixpk= 0, nxpk= 0, iat=1549, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2325,2329,
&end
#
# 74 PHE HZ 123 PHE HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1556,2319, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 74 PHE HZ 123 PHE HB3 4.95
&rst
ixpk= 0, nxpk= 0, iat=1556,2320, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 74 PHE HZ 123 PHE QD 4.77
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2323,2331,
&end
#
# 74 PHE HZ 133 ILE QD1 3.04
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2470,2471,2472,
&end
#
# 74 PHE HZ 135 VAL QG1 4.05
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2504,2505,2506,
&end
#
# 74 PHE HZ 135 VAL QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2508,2509,2510,
&end
#
# 74 PHE HZ 135 VAL QQG 3.32
&rst
ixpk= 0, nxpk= 0, iat=1556, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 74 PHE QD 74 PHE HZ 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1556, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1552,1560,
&end
#
# 74 PHE QD 75 LYS H 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1564, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1552,1560,
&end
#
# 74 PHE QD 77 ILE HB 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1607, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1552,1560,
&end
#
# 74 PHE QD 77 ILE HG12 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1552,1560,
&end
#
# 74 PHE QD 77 ILE HG13 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1552,1560,
&end
#
# 74 PHE QD 80 ILE QD1 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1552,1560,
igr2=1661,1662,1663,
&end
#
# 74 PHE QD 106 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1552,1560,
igr2=2078,2079,2080,
&end
#
# 74 PHE QD 108 VAL QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1552,1560,
igr2=2104,2105,2106,
&end
#
# 74 PHE QD 108 VAL QG2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1552,1560,
igr2=2108,2109,2110,
&end
#
# 74 PHE QD 110 PHE HZ 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=1552,1560,
&end
#
# 74 PHE QD 119 ALA HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1552,1560,
&end
#
# 74 PHE QD 119 ALA QB 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1552,1560,
igr2=2254,2255,2256,
&end
#
# 74 PHE QD 122 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1552,1560,
&end
#
# 74 PHE QD 123 PHE QE 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1552,1560,
igr2=2325,2329,
&end
#
# 74 PHE QD 128 PHE HZ 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1552,1560,
&end
#
# 74 PHE QD 133 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1552,1560,
igr2=2470,2471,2472,
&end
#
# 74 PHE QD 135 VAL QG1 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1552,1560,
igr2=2504,2505,2506,
&end
#
# 74 PHE QD 135 VAL QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1552,1560,
igr2=2508,2509,2510,
&end
#
# 74 PHE QD 135 VAL QQG 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1552,1560,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 74 PHE QE 106 ALA QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1554,1558,
igr2=2078,2079,2080,
&end
#
# 74 PHE QE 108 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1554,1558,
&end
#
# 74 PHE QE 108 VAL QG1 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1554,1558,
igr2=2104,2105,2106,
&end
#
# 74 PHE QE 108 VAL QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1554,1558,
igr2=2108,2109,2110,
&end
#
# 74 PHE QE 119 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1554,1558,
&end
#
# 74 PHE QE 119 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1554,1558,
igr2=2254,2255,2256,
&end
#
# 74 PHE QE 123 PHE H 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1554,1558,
&end
#
# 74 PHE QE 123 PHE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1554,1558,
&end
#
# 74 PHE QE 123 PHE HB2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1554,1558,
&end
#
# 74 PHE QE 123 PHE HB3 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1554,1558,
&end
#
# 74 PHE QE 123 PHE QD 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1554,1558,
igr2=2323,2331,
&end
#
# 74 PHE QE 124 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1554,1558,
&end
#
# 74 PHE QE 135 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1554,1558,
&end
#
# 74 PHE QE 135 VAL QG1 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1554,1558,
igr2=2504,2505,2506,
&end
#
# 74 PHE QE 135 VAL QG2 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1554,1558,
igr2=2508,2509,2510,
&end
#
# 74 PHE QE 135 VAL QQG 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1554,1558,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 75 LYS H 75 LYS HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1564,1568, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 75 LYS H 75 LYS HB3 3.30
&rst
ixpk= 0, nxpk= 0, iat=1564,1569, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 75 LYS H 75 LYS HD2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1564,1574, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 75 LYS H 75 LYS HD3 4.50
&rst
ixpk= 0, nxpk= 0, iat=1564,1575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LYS H 75 LYS HG2 3.57
&rst
ixpk= 0, nxpk= 0, iat=1564,1571, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 75 LYS H 75 LYS HG3 3.47
&rst
ixpk= 0, nxpk= 0, iat=1564,1572, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 75 LYS H 76 GLN H 3.18
&rst
ixpk= 0, nxpk= 0, iat=1564,1586, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 75 LYS H 76 GLN HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1564,1588, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 75 LYS H 76 GLN HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1564,1593, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 75 LYS H 76 GLN HG3 4.53
&rst
ixpk= 0, nxpk= 0, iat=1564,1594, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 75 LYS H 77 ILE H 4.49
&rst
ixpk= 0, nxpk= 0, iat=1564,1603, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 75 LYS H 78 GLY H 5.86
&rst
ixpk= 0, nxpk= 0, iat=1564,1622, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, &end
#
# 75 LYS H 80 ILE QD1 3.05
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1661,1662,1663,
&end
#
# 75 LYS H 80 ILE QG2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1654,1655,1656,
&end
#
# 75 LYS H 108 VAL QG1 5.07
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2104,2105,2106,
&end
#
# 75 LYS H 110 PHE HZ 5.15
&rst
ixpk= 0, nxpk= 0, iat=1564,2137, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 75 LYS H 110 PHE QE 5.33
&rst
ixpk= 0, nxpk= 0, iat=1564, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2135,2139,
&end
#
# 75 LYS H 123 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1564,2327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS HA 75 LYS HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat=1566,1568, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 75 LYS HA 75 LYS HD2 4.70
&rst
ixpk= 0, nxpk= 0, iat=1566,1574, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 75 LYS HA 75 LYS HD3 5.28
&rst
ixpk= 0, nxpk= 0, iat=1566,1575, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 75 LYS HA 75 LYS HG2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1566,1571, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 75 LYS HA 75 LYS QE 5.39
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1577,1578,
&end
#
# 75 LYS HA 76 GLN H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1566,1586, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 75 LYS HA 76 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1566,1588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS HA 77 ILE H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1566,1603, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 75 LYS HA 78 GLY H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1566,1622, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 75 LYS HA 79 ILE HA 4.97
&rst
ixpk= 0, nxpk= 0, iat=1566,1631, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 75 LYS HA 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1642,1643,1644,
&end
#
# 75 LYS HA 80 ILE H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1566,1648, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 75 LYS HA 80 ILE HG12 5.16
&rst
ixpk= 0, nxpk= 0, iat=1566,1658, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 75 LYS HA 80 ILE QD1 3.29
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1661,1662,1663,
&end
#
# 75 LYS HA 80 ILE QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1654,1655,1656,
&end
#
# 75 LYS HA 108 VAL QG1 5.41
&rst
ixpk= 0, nxpk= 0, iat=1566, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2104,2105,2106,
&end
#
# 75 LYS HB2 75 LYS HD2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1568,1574, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 75 LYS HB2 75 LYS HD3 3.38
&rst
ixpk= 0, nxpk= 0, iat=1568,1575, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 75 LYS HB2 75 LYS QE 3.87
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1577,1578,
&end
#
# 75 LYS HB2 76 GLN H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1568,1586, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 75 LYS HB2 79 ILE HA 4.94
&rst
ixpk= 0, nxpk= 0, iat=1568,1631, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 75 LYS HB2 79 ILE QD1 3.72
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1642,1643,1644,
&end
#
# 75 LYS HB2 79 ILE QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1635,1636,1637,
&end
#
# 75 LYS HB2 80 ILE QD1 3.79
&rst
ixpk= 0, nxpk= 0, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1661,1662,1663,
&end
#
# 75 LYS HB3 75 LYS HD2 3.26
&rst
ixpk= 0, nxpk= 0, iat=1569,1574, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 75 LYS HB3 75 LYS HD3 3.27
&rst
ixpk= 0, nxpk= 0, iat=1569,1575, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 75 LYS HB3 75 LYS QE 4.23
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1577,1578,
&end
#
# 75 LYS HB3 76 GLN H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1569,1586, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 75 LYS HB3 78 GLY H 5.84
&rst
ixpk= 0, nxpk= 0, iat=1569,1622, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, &end
#
# 75 LYS HB3 79 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1642,1643,1644,
&end
#
# 75 LYS HB3 80 ILE HG12 4.94
&rst
ixpk= 0, nxpk= 0, iat=1569,1658, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 75 LYS HB3 80 ILE HG13 4.14
&rst
ixpk= 0, nxpk= 0, iat=1569,1659, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 75 LYS HB3 80 ILE QD1 3.20
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1661,1662,1663,
&end
#
# 75 LYS HD2 75 LYS QE 2.83
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1577,1578,
&end
#
# 75 LYS HD2 76 GLN H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1574,1586, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 75 LYS HD2 76 GLN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1574,1588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS HD2 79 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1574,1631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS HD2 80 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1574,1659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS HD2 80 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1574, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1661,1662,1663,
&end
#
# 75 LYS HD3 75 LYS QE 2.88
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1577,1578,
&end
#
# 75 LYS HD3 76 GLN H 5.16
&rst
ixpk= 0, nxpk= 0, iat=1575,1586, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 75 LYS HD3 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1642,1643,1644,
&end
#
# 75 LYS HD3 80 ILE HG13 5.36
&rst
ixpk= 0, nxpk= 0, iat=1575,1659, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 75 LYS HD3 80 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1575, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1661,1662,1663,
&end
#
# 75 LYS HG2 75 LYS QE 3.20
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1577,1578,
&end
#
# 75 LYS HG2 76 GLN H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1571,1586, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 75 LYS HG2 76 GLN HA 4.78
&rst
ixpk= 0, nxpk= 0, iat=1571,1588, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 75 LYS HG2 76 GLN HG2 4.36
&rst
ixpk= 0, nxpk= 0, iat=1571,1593, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 75 LYS HG2 76 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1571,1594, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LYS HG2 80 ILE HG13 5.46
&rst
ixpk= 0, nxpk= 0, iat=1571,1659, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 75 LYS HG2 80 ILE QD1 4.27
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1661,1662,1663,
&end
#
# 75 LYS HG3 75 LYS QE 3.30
&rst
ixpk= 0, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1577,1578,
&end
#
# 75 LYS HG3 76 GLN H 3.99
&rst
ixpk= 0, nxpk= 0, iat=1572,1586, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 75 LYS HG3 76 GLN HA 4.39
&rst
ixpk= 0, nxpk= 0, iat=1572,1588, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 75 LYS HG3 76 GLN HG2 4.71
&rst
ixpk= 0, nxpk= 0, iat=1572,1593, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 75 LYS HG3 77 ILE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=1572,1603, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 75 LYS HG3 80 ILE QD1 4.69
&rst
ixpk= 0, nxpk= 0, iat=1572, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1661,1662,1663,
&end
#
# 75 LYS QE 76 GLN H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1586, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1577,1578,
&end
#
# 75 LYS QE 76 GLN HA 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1577,1578,
&end
#
# 75 LYS QE 76 GLN HG2 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1593, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1577,1578,
&end
#
# 75 LYS QE 79 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1577,1578,
igr2=1642,1643,1644,
&end
#
# 76 GLN H 76 GLN HA 2.89
&rst
ixpk= 0, nxpk= 0, iat=1586,1588, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 76 GLN H 76 GLN HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1586,1590, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 76 GLN H 76 GLN HB3 3.02
&rst
ixpk= 0, nxpk= 0, iat=1586,1591, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 76 GLN H 76 GLN HE21 4.20
&rst
ixpk= 0, nxpk= 0, iat=1586,1599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 GLN H 76 GLN HG2 3.05
&rst
ixpk= 0, nxpk= 0, iat=1586,1593, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 76 GLN H 76 GLN HG3 2.99
&rst
ixpk= 0, nxpk= 0, iat=1586,1594, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 76 GLN H 77 ILE H 3.05
&rst
ixpk= 0, nxpk= 0, iat=1586,1603, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 76 GLN H 77 ILE HG12 5.04
&rst
ixpk= 0, nxpk= 0, iat=1586,1613, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 76 GLN H 77 ILE QD1 5.06
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1616,1617,1618,
&end
#
# 76 GLN H 80 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat=1586, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1661,1662,1663,
&end
#
# 76 GLN H 123 PHE HZ 4.18
&rst
ixpk= 0, nxpk= 0, iat=1586,2327, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 76 GLN HA 76 GLN HB2 2.83
&rst
ixpk= 0, nxpk= 0, iat=1588,1590, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 76 GLN HA 76 GLN HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat=1588,1591, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 76 GLN HA 76 GLN HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1588,1593, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 76 GLN HA 76 GLN HG3 3.72
&rst
ixpk= 0, nxpk= 0, iat=1588,1594, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 76 GLN HA 77 ILE HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=1588,1605, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 76 GLN HA 77 ILE QD1 5.00
&rst
ixpk= 0, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1616,1617,1618,
&end
#
# 76 GLN HA 78 GLY H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1588,1622, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 76 GLN HB2 76 GLN HE21 4.16
&rst
ixpk= 0, nxpk= 0, iat=1590,1599, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 76 GLN HB2 76 GLN HE22 4.93
&rst
ixpk= 0, nxpk= 0, iat=1590,1598, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 76 GLN HB2 76 GLN HG3 2.78
&rst
ixpk= 0, nxpk= 0, iat=1590,1594, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 76 GLN HB2 77 ILE H 3.71
&rst
ixpk= 0, nxpk= 0, iat=1590,1603, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 76 GLN HB2 77 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1616,1617,1618,
&end
#
# 76 GLN HB2 77 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1609,1610,1611,
&end
#
# 76 GLN HB2 122 TRP HE1 5.44
&rst
ixpk= 0, nxpk= 0, iat=1590,2301, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 76 GLN HB2 123 PHE HZ 4.31
&rst
ixpk= 0, nxpk= 0, iat=1590,2327, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 76 GLN HB3 76 GLN HE21 3.87
&rst
ixpk= 0, nxpk= 0, iat=1591,1599, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 76 GLN HB3 76 GLN HE22 4.45
&rst
ixpk= 0, nxpk= 0, iat=1591,1598, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 76 GLN HB3 76 GLN HG2 2.86
&rst
ixpk= 0, nxpk= 0, iat=1591,1593, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 76 GLN HB3 77 ILE H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1591,1603, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 76 GLN HB3 77 ILE HG12 5.45
&rst
ixpk= 0, nxpk= 0, iat=1591,1613, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 76 GLN HB3 77 ILE QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat=1591, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1616,1617,1618,
&end
#
# 76 GLN HB3 123 PHE HZ 4.72
&rst
ixpk= 0, nxpk= 0, iat=1591,2327, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 76 GLN HE21 122 TRP HE1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1599,2301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HE21 123 PHE QE 3.49
&rst
ixpk= 0, nxpk= 0, iat=1599, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=2325,2329,
&end
#
# 76 GLN HG2 76 GLN HE22 4.00
&rst
ixpk= 0, nxpk= 0, iat=1593,1598, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 76 GLN HG2 77 ILE H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1593,1603, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 76 GLN HG2 77 ILE QD1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1616,1617,1618,
&end
#
# 76 GLN HG2 123 PHE HZ 4.30
&rst
ixpk= 0, nxpk= 0, iat=1593,2327, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 76 GLN HG3 76 GLN HE21 3.45
&rst
ixpk= 0, nxpk= 0, iat=1594,1599, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 76 GLN HG3 76 GLN HE22 4.07
&rst
ixpk= 0, nxpk= 0, iat=1594,1598, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 76 GLN HG3 77 ILE H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1594,1603, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 76 GLN HG3 77 ILE HA 4.32
&rst
ixpk= 0, nxpk= 0, iat=1594,1605, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 76 GLN HG3 77 ILE HB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1594,1607, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 76 GLN HG3 77 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=1594,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 GLN HG3 77 ILE QD1 4.58
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1616,1617,1618,
&end
#
# 76 GLN HG3 77 ILE QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1609,1610,1611,
&end
#
# 76 GLN HG3 123 PHE HZ 4.21
&rst
ixpk= 0, nxpk= 0, iat=1594,2327, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 77 ILE H 77 ILE HB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1603,1607, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 77 ILE H 77 ILE HG12 3.55
&rst
ixpk= 0, nxpk= 0, iat=1603,1613, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 77 ILE H 77 ILE HG13 3.58
&rst
ixpk= 0, nxpk= 0, iat=1603,1614, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 77 ILE H 77 ILE QD1 3.20
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1616,1617,1618,
&end
#
# 77 ILE H 77 ILE QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1609,1610,1611,
&end
#
# 77 ILE H 78 GLY H 2.70
&rst
ixpk= 0, nxpk= 0, iat=1603,1622, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 77 ILE H 78 GLY HA2 5.15
&rst
ixpk= 0, nxpk= 0, iat=1603,1624, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 77 ILE H 78 GLY HA3 5.20
&rst
ixpk= 0, nxpk= 0, iat=1603,1625, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 77 ILE H 80 ILE QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1661,1662,1663,
&end
#
# 77 ILE H 110 PHE QE 4.33
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2135,2139,
&end
#
# 77 ILE H 119 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2254,2255,2256,
&end
#
# 77 ILE H 123 PHE HZ 4.76
&rst
ixpk= 0, nxpk= 0, iat=1603,2327, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 77 ILE H 123 PHE QE 4.75
&rst
ixpk= 0, nxpk= 0, iat=1603, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=2325,2329,
&end
#
# 77 ILE HA 77 ILE HG12 3.39
&rst
ixpk= 0, nxpk= 0, iat=1605,1613, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 77 ILE HA 77 ILE HG13 3.86
&rst
ixpk= 0, nxpk= 0, iat=1605,1614, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 77 ILE HA 77 ILE QD1 2.40
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=1616,1617,1618,
&end
#
# 77 ILE HA 77 ILE QG2 2.73
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1609,1610,1611,
&end
#
# 77 ILE HA 78 GLY HA3 5.02
&rst
ixpk= 0, nxpk= 0, iat=1605,1625, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 77 ILE HA 110 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2135,2139,
&end
#
# 77 ILE HA 123 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1605,2327, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE HA 123 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1605, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2325,2329,
&end
#
# 77 ILE HB 77 ILE QD1 3.28
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1616,1617,1618,
&end
#
# 77 ILE HB 78 GLY H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1607,1622, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 77 ILE HB 78 GLY HA2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1607,1624, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 77 ILE HB 110 PHE QE 3.12
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2=2135,2139,
&end
#
# 77 ILE HB 115 SER HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1607,2199, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 77 ILE HB 115 SER QB 4.78
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2201,2202,
&end
#
# 77 ILE HB 118 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2244,2245,2246,
&end
#
# 77 ILE HB 119 ALA H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1607,2250, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 77 ILE HB 119 ALA QB 3.45
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=2254,2255,2256,
&end
#
# 77 ILE HB 122 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1607,2299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE HB 123 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1607, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2323,2331,
&end
#
# 77 ILE HG12 78 GLY H 4.40
&rst
ixpk= 0, nxpk= 0, iat=1613,1622, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 77 ILE HG12 80 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1661,1662,1663,
&end
#
# 77 ILE HG12 119 ALA HA 4.42
&rst
ixpk= 0, nxpk= 0, iat=1613,2252, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 77 ILE HG12 119 ALA QB 3.61
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2254,2255,2256,
&end
#
# 77 ILE HG12 122 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1613,2296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE HG12 123 PHE HZ 4.58
&rst
ixpk= 0, nxpk= 0, iat=1613,2327, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 77 ILE HG12 123 PHE QD 4.69
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2323,2331,
&end
#
# 77 ILE HG12 123 PHE QE 4.22
&rst
ixpk= 0, nxpk= 0, iat=1613, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2325,2329,
&end
#
# 77 ILE HG13 78 GLY H 5.60
&rst
ixpk= 0, nxpk= 0, iat=1614,1622, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 77 ILE HG13 115 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2201,2202,
&end
#
# 77 ILE HG13 119 ALA H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1614,2250, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 77 ILE HG13 119 ALA HA 3.22
&rst
ixpk= 0, nxpk= 0, iat=1614,2252, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 77 ILE HG13 119 ALA QB 4.14
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2254,2255,2256,
&end
#
# 77 ILE HG13 122 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1614,2295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 ILE HG13 122 TRP HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat=1614,2296, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 77 ILE HG13 122 TRP HD1 4.73
&rst
ixpk= 0, nxpk= 0, iat=1614,2299, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 77 ILE HG13 123 PHE H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1614,2315, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 77 ILE HG13 123 PHE QD 4.63
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2323,2331,
&end
#
# 77 ILE HG13 123 PHE QE 3.65
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2325,2329,
&end
#
# 77 ILE QD1 78 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 118 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 119 ALA H 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 119 ALA HA 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 119 ALA QB 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1616,1617,1618,
igr2=2254,2255,2256,
&end
#
# 77 ILE QD1 122 TRP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2293, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 122 TRP HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 122 TRP HB3 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 122 TRP HD1 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 122 TRP HE1 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 122 TRP HZ2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2304, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 123 PHE H 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 123 PHE HZ 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1616,1617,1618,
&end
#
# 77 ILE QD1 123 PHE QD 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1616,1617,1618,
igr2=2323,2331,
&end
#
# 77 ILE QD1 123 PHE QE 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1616,1617,1618,
igr2=2325,2329,
&end
#
# 77 ILE QG2 77 ILE HG12 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1613, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 77 ILE HG13 2.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 77 ILE QD1 2.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr1=1609,1610,1611,
igr2=1616,1617,1618,
&end
#
# 77 ILE QG2 78 GLY H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1622, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 78 GLY HA2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1624, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 78 GLY HA3 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1625, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 110 PHE HZ 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 115 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2197, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 115 SER QB 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1609,1610,1611,
igr2=2201,2202,
&end
#
# 77 ILE QG2 118 ALA H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 118 ALA HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 118 ALA QB 2.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1=1609,1610,1611,
igr2=2244,2245,2246,
&end
#
# 77 ILE QG2 119 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 119 ALA HA 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2252, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 119 ALA QB 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr1=1609,1610,1611,
igr2=2254,2255,2256,
&end
#
# 77 ILE QG2 122 TRP HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 122 TRP HB3 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 122 TRP HD1 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 122 TRP HE1 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2301, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 123 PHE HZ 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1609,1610,1611,
&end
#
# 77 ILE QG2 123 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1609,1610,1611,
igr2=2323,2331,
&end
#
# 78 GLY H 79 ILE H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1622,1629, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 78 GLY H 79 ILE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1622,1631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 78 GLY H 79 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1642,1643,1644,
&end
#
# 78 GLY H 80 ILE QD1 4.55
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1661,1662,1663,
&end
#
# 78 GLY H 110 PHE QE 3.70
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2135,2139,
&end
#
# 78 GLY H 115 SER QB 4.98
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=2201,2202,
&end
#
# 78 GLY H 119 ALA QB 5.73
&rst
ixpk= 0, nxpk= 0, iat=1622, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2=2254,2255,2256,
&end
#
# 78 GLY HA2 79 ILE H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1629, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 GLY HA2 79 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1624,1633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 GLY HA2 79 ILE HG12 3.91
&rst
ixpk= 0, nxpk= 0, iat=1624,1639, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 78 GLY HA2 79 ILE HG13 5.46
&rst
ixpk= 0, nxpk= 0, iat=1624,1640, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 78 GLY HA2 79 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1642,1643,1644,
&end
#
# 78 GLY HA2 110 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2135,2139,
&end
#
# 78 GLY HA2 115 SER QB 4.63
&rst
ixpk= 0, nxpk= 0, iat=1624, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2201,2202,
&end
#
# 78 GLY HA3 79 ILE H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1625,1629, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 78 GLY HA3 79 ILE HG12 4.82
&rst
ixpk= 0, nxpk= 0, iat=1625,1639, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 78 GLY HA3 79 ILE HG13 5.85
&rst
ixpk= 0, nxpk= 0, iat=1625,1640, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, &end
#
# 78 GLY HA3 79 ILE QD1 4.77
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1642,1643,1644,
&end
#
# 78 GLY HA3 79 ILE QG2 5.70
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1635,1636,1637,
&end
#
# 78 GLY HA3 110 PHE QD 5.21
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2133,2141,
&end
#
# 78 GLY HA3 110 PHE QE 5.23
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2135,2139,
&end
#
# 78 GLY HA3 115 SER QB 4.67
&rst
ixpk= 0, nxpk= 0, iat=1625, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=2201,2202,
&end
#
# 79 ILE H 79 ILE HB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1629,1633, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 79 ILE H 79 ILE HG12 3.25
&rst
ixpk= 0, nxpk= 0, iat=1629,1639, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 79 ILE H 80 ILE H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1629,1648, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 79 ILE H 110 PHE QD 4.66
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2133,2141,
&end
#
# 79 ILE H 110 PHE QE 4.82
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=2135,2139,
&end
#
# 79 ILE H 111 ASP H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1629,2145, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 79 ILE H 111 ASP HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat=1629,2150, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 79 ILE HA 79 ILE HG12 3.24
&rst
ixpk= 0, nxpk= 0, iat=1631,1639, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 79 ILE HA 79 ILE HG13 3.80
&rst
ixpk= 0, nxpk= 0, iat=1631,1640, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 ILE HA 79 ILE QD1 2.73
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1642,1643,1644,
&end
#
# 79 ILE HA 79 ILE QG2 2.56
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr2=1635,1636,1637,
&end
#
# 79 ILE HA 80 ILE H 2.83
&rst
ixpk= 0, nxpk= 0, iat=1631,1648, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 79 ILE HA 80 ILE HA 4.41
&rst
ixpk= 0, nxpk= 0, iat=1631,1650, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 79 ILE HA 80 ILE HG12 4.74
&rst
ixpk= 0, nxpk= 0, iat=1631,1658, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 79 ILE HA 80 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1661,1662,1663,
&end
#
# 79 ILE HA 110 PHE QD 4.95
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2133,2141,
&end
#
# 79 ILE HA 110 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2135,2139,
&end
#
# 79 ILE HA 111 ASP H 5.19
&rst
ixpk= 0, nxpk= 0, iat=1631,2145, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 79 ILE HA 111 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1631,2149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HA 111 ASP HB3 5.39
&rst
ixpk= 0, nxpk= 0, iat=1631,2150, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 79 ILE HB 79 ILE QD1 3.30
&rst
ixpk= 0, nxpk= 0, iat=1633, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1642,1643,1644,
&end
#
# 79 ILE HB 80 ILE H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1633,1648, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 79 ILE HB 111 ASP H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1633,2145, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 79 ILE HB 111 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1633,2147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HB 111 ASP HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat=1633,2149, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 79 ILE HB 111 ASP HB3 3.51
&rst
ixpk= 0, nxpk= 0, iat=1633,2150, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 79 ILE HB 112 ASP H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1633,2157, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 79 ILE HB 112 ASP HB2 4.76
&rst
ixpk= 0, nxpk= 0, iat=1633,2161, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 79 ILE HG12 80 ILE H 5.10
&rst
ixpk= 0, nxpk= 0, iat=1639,1648, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 79 ILE HG12 111 ASP HB3 5.44
&rst
ixpk= 0, nxpk= 0, iat=1639,2150, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 79 ILE HG13 111 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1640,2149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 ILE HG13 111 ASP HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat=1640,2150, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 79 ILE QD1 80 ILE H 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1642,1643,1644,
&end
#
# 79 ILE QG2 79 ILE HG12 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1639, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 79 ILE HG13 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1640, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 80 ILE H 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 80 ILE HA 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1650, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 80 ILE HG12 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 81 LYS HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 81 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1635,1636,1637,
igr2=1674,1675,
&end
#
# 79 ILE QG2 82 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1689, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 110 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1635,1636,1637,
igr2=2133,2141,
&end
#
# 79 ILE QG2 111 ASP H 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 111 ASP HA 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,2147, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 111 ASP HB2 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2149, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 111 ASP HB3 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1635,1636,1637,
&end
#
# 79 ILE QG2 112 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1635,1636,1637,
&end
#
# 80 ILE H 80 ILE HB 3.04
&rst
ixpk= 0, nxpk= 0, iat=1648,1652, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 80 ILE H 80 ILE HG12 3.87
&rst
ixpk= 0, nxpk= 0, iat=1648,1658, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 80 ILE H 80 ILE HG13 4.65
&rst
ixpk= 0, nxpk= 0, iat=1648,1659, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 80 ILE H 80 ILE QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat=1648, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1661,1662,1663,
&end
#
# 80 ILE H 111 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1648,2150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HA 80 ILE HG12 4.19
&rst
ixpk= 0, nxpk= 0, iat=1650,1658, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 80 ILE HA 80 ILE QD1 3.27
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1661,1662,1663,
&end
#
# 80 ILE HA 80 ILE QG2 3.22
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1654,1655,1656,
&end
#
# 80 ILE HA 81 LYS H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1650,1667, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 80 ILE HA 81 LYS HA 5.27
&rst
ixpk= 0, nxpk= 0, iat=1650,1669, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 80 ILE HA 81 LYS HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1650,1671, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 80 ILE HA 81 LYS HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat=1650,1672, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 80 ILE HA 108 VAL QG1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=2104,2105,2106,
&end
#
# 80 ILE HA 110 PHE H 5.06
&rst
ixpk= 0, nxpk= 0, iat=1650,2125, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 80 ILE HA 110 PHE HA 3.36
&rst
ixpk= 0, nxpk= 0, iat=1650,2127, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 80 ILE HA 110 PHE HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat=1650,2130, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 80 ILE HA 110 PHE QD 4.21
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2133,2141,
&end
#
# 80 ILE HA 110 PHE QE 4.74
&rst
ixpk= 0, nxpk= 0, iat=1650, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2135,2139,
&end
#
# 80 ILE HA 111 ASP H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1650,2145, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 80 ILE HB 80 ILE QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1661,1662,1663,
&end
#
# 80 ILE HB 89 PRO HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat=1652,1807, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 80 ILE HB 89 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1652,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HB 89 PRO HG3 4.47
&rst
ixpk= 0, nxpk= 0, iat=1652,1804, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 80 ILE HB 91 ILE QD1 3.86
&rst
ixpk= 0, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1843,1844,1845,
&end
#
# 80 ILE HB 108 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1652, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2104,2105,2106,
&end
#
# 80 ILE HB 110 PHE HA 5.36
&rst
ixpk= 0, nxpk= 0, iat=1652,2127, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 80 ILE HB 111 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1652,2145, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HG12 81 LYS H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1658,1667, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 80 ILE HG12 108 VAL QG1 4.70
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=2104,2105,2106,
&end
#
# 80 ILE HG12 110 PHE HA 5.45
&rst
ixpk= 0, nxpk= 0, iat=1658,2127, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 80 ILE HG12 110 PHE QE 5.08
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2135,2139,
&end
#
# 80 ILE HG12 111 ASP H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1658,2145, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 80 ILE HG13 89 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1659,1803, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ILE HG13 89 PRO HG3 4.56
&rst
ixpk= 0, nxpk= 0, iat=1659,1804, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 80 ILE HG13 108 VAL QG1 5.33
&rst
ixpk= 0, nxpk= 0, iat=1659, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=2104,2105,2106,
&end
#
# 80 ILE QD1 81 LYS H 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1661,1662,1663,
&end
#
# 80 ILE QD1 108 VAL QG1 2.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1=1661,1662,1663,
igr2=2104,2105,2106,
&end
#
# 80 ILE QD1 108 VAL QG2 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1661,1662,1663,
igr2=2108,2109,2110,
&end
#
# 80 ILE QD1 109 SER H 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1661,1662,1663,
&end
#
# 80 ILE QD1 110 PHE HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1661,1662,1663,
&end
#
# 80 ILE QD1 110 PHE HZ 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1661,1662,1663,
&end
#
# 80 ILE QD1 110 PHE QE 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1661,1662,1663,
igr2=2135,2139,
&end
#
# 80 ILE QG2 80 ILE HG12 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 80 ILE HG13 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1659, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 80 ILE QD1 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=1654,1655,1656,
igr2=1661,1662,1663,
&end
#
# 80 ILE QG2 81 LYS H 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 81 LYS HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1669, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 81 LYS HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1671, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 81 LYS HB3 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1672, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 82 THR HA 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1691, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 89 PRO HA 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 89 PRO HB2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1806, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 89 PRO HB3 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 89 PRO HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1803, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 89 PRO HG3 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1804, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 90 MET H 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1813, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 90 MET HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1815, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 90 MET HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 90 MET HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1818, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 91 ILE HG13 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 108 VAL HB 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2102, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 108 VAL QG1 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1654,1655,1656,
igr2=2104,2105,2106,
&end
#
# 80 ILE QG2 108 VAL QG2 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1654,1655,1656,
igr2=2108,2109,2110,
&end
#
# 80 ILE QG2 109 SER H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 109 SER HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 109 SER HB3 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2119, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 109 SER QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1654,1655,1656,
igr2=2118,2119,
&end
#
# 80 ILE QG2 110 PHE HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 110 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1654,1655,1656,
&end
#
# 80 ILE QG2 110 PHE QD 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1=1654,1655,1656,
igr2=2133,2141,
&end
#
# 81 LYS H 90 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1824,1825,1826,
&end
#
# 81 LYS H 108 VAL QQG 4.82
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 81 LYS H 110 PHE H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1667,2125, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 81 LYS H 110 PHE HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat=1667,2130, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 81 LYS H 111 ASP QB 4.66
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=2149,2150,
&end
#
# 81 LYS HA 111 ASP H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1669,2145, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 81 LYS HA 111 ASP HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1669,2149, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 81 LYS HA 111 ASP QB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1669, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2149,2150,
&end
#
# 81 LYS HB2 111 ASP H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1671,2145, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 81 LYS HB3 81 LYS QD 3.71
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1677,1678,
&end
#
# 81 LYS HB3 81 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1680,1681,
&end
#
# 81 LYS HB3 90 MET QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=1672, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1824,1825,1826,
&end
#
# 81 LYS HB3 111 ASP H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1672,2145, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 81 LYS HB3 111 ASP HA 4.29
&rst
ixpk= 0, nxpk= 0, iat=1672,2147, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 81 LYS HG3 90 MET QE 4.23
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1824,1825,1826,
&end
#
# 81 LYS HG3 111 ASP HA 4.11
&rst
ixpk= 0, nxpk= 0, iat=1675,2147, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 81 LYS QD 111 ASP HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1677,1678,
&end
#
# 81 LYS QE 90 MET QE 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1680,1681,
igr2=1824,1825,1826,
&end
#
# 81 LYS QE 111 ASP QB 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1680,1681,
igr2=2149,2150,
&end
#
# 82 THR H 83 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1689,1703, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 82 THR HA 82 THR QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1691, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1695,1696,1697,
&end
#
# 82 THR HB 83 ASN H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1693,1703, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 82 THR QG2 84 LYS HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1719, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1695,1696,1697,
&end
#
# 82 THR QG2 88 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1789, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1695,1696,1697,
&end
#
# 83 ASN H 83 ASN HD22 5.37
&rst
ixpk= 0, nxpk= 0, iat=1703,1712, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 83 ASN H 88 GLN H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1703,1782, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 83 ASN H 88 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1703,1795, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ASN HA 83 ASN HD21 4.59
&rst
ixpk= 0, nxpk= 0, iat=1705,1713, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 83 ASN HB2 83 ASN HD22 3.91
&rst
ixpk= 0, nxpk= 0, iat=1707,1712, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 83 ASN HB2 84 LYS H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1707,1717, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 83 ASN HB2 85 LYS H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1707,1739, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 83 ASN HB2 86 THR H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1707,1761, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 83 ASN HB2 90 MET HG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1707,1820, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 83 ASN HB2 90 MET HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat=1707,1821, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 83 ASN HB2 90 MET QE 4.47
&rst
ixpk= 0, nxpk= 0, iat=1707, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1824,1825,1826,
&end
#
# 83 ASN HB3 84 LYS H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1708,1717, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 83 ASN HB3 85 LYS H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1708,1739, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 83 ASN HB3 86 THR H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1708,1761, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 83 ASN HB3 87 GLY H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1708,1775, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 83 ASN HD21 84 LYS H 5.24
&rst
ixpk= 0, nxpk= 0, iat=1713,1717, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 83 ASN HD21 85 LYS H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1713,1739, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 83 ASN HD21 86 THR QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1767,1768,1769,
&end
#
# 83 ASN HD21 90 MET QE 4.41
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1824,1825,1826,
&end
#
# 83 ASN HD22 85 LYS H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1712,1739, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 83 ASN HD22 86 THR H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1712,1761, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 84 LYS H 84 LYS QD 4.57
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1727,1728,
&end
#
# 84 LYS H 84 LYS QG 4.12
&rst
ixpk= 0, nxpk= 0, iat=1717, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1724,1725,
&end
#
# 84 LYS H 86 THR H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1717,1761, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 84 LYS HA 84 LYS QB 2.91
&rst
ixpk= 0, nxpk= 0, iat=1719, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1721,1722,
&end
#
# 84 LYS HA 86 THR H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1719,1761, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 85 LYS H 85 LYS HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1739,1747, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 85 LYS H 85 LYS QE 5.25
&rst
ixpk= 0, nxpk= 0, iat=1739, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1752,1753,
&end
#
# 85 LYS H 85 LYS QG 3.31
&rst
ixpk= 0, nxpk= 0, iat=1739, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1746,1747,
&end
#
# 85 LYS H 86 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1739,1771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 LYS H 86 THR QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat=1739, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1767,1768,1769,
&end
#
# 85 LYS H 87 GLY H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1739,1775, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 85 LYS HG2 86 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1746,1761, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 85 LYS HG3 86 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1747,1761, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 85 LYS QD 86 THR H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1749,1750,
&end
#
# 85 LYS QG 86 THR H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1761, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1746,1747,
&end
#
# 85 LYS QG 86 THR QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1746,1747,
igr2=1767,1768,1769,
&end
#
# 86 THR HB 88 GLN HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat=1765,1787, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 86 THR HB 88 GLN HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1765,1789, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 86 THR QG2 87 GLY H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1775, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1767,1768,1769,
&end
#
# 87 GLY H 88 GLN H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1775,1782, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 87 GLY H 88 GLN HG3 4.61
&rst
ixpk= 0, nxpk= 0, iat=1775,1790, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 88 GLN H 88 GLN HG3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1782,1790, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 88 GLN H 89 PRO HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1782,1800, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 88 GLN HA 88 GLN HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1784,1789, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 88 GLN HA 89 PRO HD2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1784,1800, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 88 GLN HA 89 PRO HD3 3.45
&rst
ixpk= 0, nxpk= 0, iat=1784,1801, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 88 GLN HA 89 PRO QG 4.69
&rst
ixpk= 0, nxpk= 0, iat=1784, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1803,1804,
&end
#
# 88 GLN HB2 88 GLN HE22 4.77
&rst
ixpk= 0, nxpk= 0, iat=1786,1794, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 88 GLN HB2 89 PRO HD3 4.20
&rst
ixpk= 0, nxpk= 0, iat=1786,1801, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 88 GLN HB3 89 PRO HD3 4.33
&rst
ixpk= 0, nxpk= 0, iat=1787,1801, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 88 GLN HE21 90 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1795,1813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 GLN HG2 89 PRO HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1789,1800, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 88 GLN HG3 89 PRO HD3 5.29
&rst
ixpk= 0, nxpk= 0, iat=1790,1801, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 89 PRO HB3 108 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 89 PRO QG 91 ILE QD1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1803,1804,
igr2=1843,1844,1845,
&end
#
# 90 MET H 91 ILE H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1813,1830, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 90 MET H 108 VAL QQG 4.97
&rst
ixpk= 0, nxpk= 0, iat=1813, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 90 MET H 109 SER H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1813,2114, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 90 MET HA 90 MET HG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1815,1820, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 90 MET HA 90 MET QE 4.55
&rst
ixpk= 0, nxpk= 0, iat=1815, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1824,1825,1826,
&end
#
# 90 MET HA 109 SER H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1815,2114, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 90 MET HB2 108 VAL QQG 5.17
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 90 MET HG3 91 ILE H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1821,1830, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 90 MET HG3 109 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1821,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 MET QE 109 SER QB 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1824,1825,1826,
igr2=2118,2119,
&end
#
# 91 ILE HA 91 ILE QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1840,1841,
&end
#
# 91 ILE HA 91 ILE QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1836,1837,1838,
&end
#
# 91 ILE HA 108 VAL HA 3.70
&rst
ixpk= 0, nxpk= 0, iat=1832,2100, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 91 ILE HA 108 VAL QQG 3.77
&rst
ixpk= 0, nxpk= 0, iat=1832, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 91 ILE HG13 108 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1841, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2104,2105,2106,
&end
#
# 91 ILE QD1 108 VAL QQG 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1843,1844,1845,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 91 ILE QG1 92 ASN H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1840,1841,
&end
#
# 91 ILE QG1 108 VAL HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1840,1841,
&end
#
# 91 ILE QG2 91 ILE HG12 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1840, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1836,1837,1838,
&end
#
# 91 ILE QG2 108 VAL HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1836,1837,1838,
&end
#
# 91 ILE QG2 108 VAL QG1 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1836,1837,1838,
igr2=2104,2105,2106,
&end
#
# 91 ILE QG2 108 VAL QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1836,1837,1838,
igr2=2108,2109,2110,
&end
#
# 91 ILE QG2 108 VAL QQG 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1836,1837,1838,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 92 ASN H 92 ASN HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1849,1854, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 92 ASN H 92 ASN HD21 4.42
&rst
ixpk= 0, nxpk= 0, iat=1849,1859, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 92 ASN H 93 LEU H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1849,1863, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 92 ASN H 93 LEU QQD 5.11
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 92 ASN H 108 VAL QG1 6.00
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2104,2105,2106,
&end
#
# 92 ASN H 108 VAL QQG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=2104,2105,2106,2108,2109,2110,
&end
#
# 92 ASN HA 93 LEU QQD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 92 ASN HA 107 THR H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1851,2084, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 92 ASN HB2 93 LEU H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1853,1863, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 93 LEU H 93 LEU HB2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1863,1867, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 93 LEU H 93 LEU HB3 3.86
&rst
ixpk= 0, nxpk= 0, iat=1863,1868, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 93 LEU H 93 LEU HG 4.32
&rst
ixpk= 0, nxpk= 0, iat=1863,1870, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 93 LEU H 93 LEU QD1 3.56
&rst
ixpk= 0, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1872,1873,1874,
&end
#
# 93 LEU H 93 LEU QD2 3.56
&rst
ixpk= 0, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1876,1877,1878,
&end
#
# 93 LEU H 94 TYR H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1863,1882, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 93 LEU H 102 LEU QQD 4.60
&rst
ixpk= 0, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 93 LEU H 106 ALA HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1863,2076, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 93 LEU HA 93 LEU QD1 4.11
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1872,1873,1874,
&end
#
# 93 LEU HA 93 LEU QD2 4.11
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1876,1877,1878,
&end
#
# 93 LEU HA 93 LEU QQD 2.84
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 93 LEU HA 95 THR QG2 5.62
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2=1909,1910,1911,
&end
#
# 93 LEU HA 102 LEU QQD 3.75
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 93 LEU HA 106 ALA HA 3.80
&rst
ixpk= 0, nxpk= 0, iat=1865,2076, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 93 LEU HA 106 ALA QB 3.47
&rst
ixpk= 0, nxpk= 0, iat=1865, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=2078,2079,2080,
&end
#
# 93 LEU HA 107 THR H 4.50
&rst
ixpk= 0, nxpk= 0, iat=1865,2084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 LEU HB2 93 LEU QD1 3.23
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1872,1873,1874,
&end
#
# 93 LEU HB2 93 LEU QD2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1876,1877,1878,
&end
#
# 93 LEU HB2 93 LEU QQD 2.68
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1872,1873,1874,1876,1877,1878,
&end
#
# 93 LEU HB2 94 TYR H 4.84
&rst
ixpk= 0, nxpk= 0, iat=1867,1882, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 93 LEU HB2 95 THR QG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1909,1910,1911,
&end
#
# 93 LEU HB2 102 LEU HG 5.10
&rst
ixpk= 0, nxpk= 0, iat=1867,2018, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 93 LEU HB2 102 LEU QD1 3.34
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2020,2021,2022,
&end
#
# 93 LEU HB2 102 LEU QD2 3.34
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2024,2025,2026,
&end
#
# 93 LEU HB2 102 LEU QQD 2.76
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 93 LEU HB2 106 ALA HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=1867,2076, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 93 LEU HB2 106 ALA QB 4.59
&rst
ixpk= 0, nxpk= 0, iat=1867, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2078,2079,2080,
&end
#
# 93 LEU HB3 93 LEU QD1 3.24
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1872,1873,1874,
&end
#
# 93 LEU HB3 93 LEU QD2 3.24
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1876,1877,1878,
&end
#
# 93 LEU HB3 94 TYR H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1868,1882, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 93 LEU HB3 95 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1909,1910,1911,
&end
#
# 93 LEU HB3 102 LEU HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat=1868,2016, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 93 LEU HB3 102 LEU HG 4.41
&rst
ixpk= 0, nxpk= 0, iat=1868,2018, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 93 LEU HB3 102 LEU QD1 3.21
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2020,2021,2022,
&end
#
# 93 LEU HB3 102 LEU QD2 3.21
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=2024,2025,2026,
&end
#
# 93 LEU HB3 102 LEU QQD 2.72
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 93 LEU HB3 106 ALA QB 4.66
&rst
ixpk= 0, nxpk= 0, iat=1868, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2078,2079,2080,
&end
#
# 93 LEU HG 94 TYR H 5.80
&rst
ixpk= 0, nxpk= 0, iat=1870,1882, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 93 LEU HG 102 LEU QQD 4.92
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 93 LEU HG 106 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=1870,2076, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 93 LEU HG 106 ALA QB 4.05
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=2078,2079,2080,
&end
#
# 93 LEU QQD 94 TYR H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1882, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1872,1873,1874,1876,1877,1878,
&end
#
# 93 LEU QQD 94 TYR QD 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1872,1873,1874,1876,1877,1878,
igr2=1890,1899,
&end
#
# 93 LEU QQD 102 LEU QQD 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1872,1873,1874,1876,1877,1878,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 93 LEU QQD 106 ALA HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1872,1873,1874,1876,1877,1878,
&end
#
# 93 LEU QQD 106 ALA QB 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1872,1873,1874,1876,1877,1878,
igr2=2078,2079,2080,
&end
#
# 93 LEU QQD 107 THR H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1872,1873,1874,1876,1877,1878,
&end
#
# 93 LEU QQD 128 PHE HZ 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1872,1873,1874,1876,1877,1878,
&end
#
# 93 LEU QQD 128 PHE QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=1872,1873,1874,1876,1877,1878,
igr2=2401,2405,
&end
#
# 94 TYR H 94 TYR QD 3.58
&rst
ixpk= 0, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1890,1899,
&end
#
# 94 TYR H 94 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1892,1897,
&end
#
# 94 TYR H 95 THR H 4.70
&rst
ixpk= 0, nxpk= 0, iat=1882,1903, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 94 TYR H 106 ALA HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1882,2076, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 94 TYR H 106 ALA QB 4.20
&rst
ixpk= 0, nxpk= 0, iat=1882, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=2078,2079,2080,
&end
#
# 94 TYR H 107 THR H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1882,2084, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 94 TYR HA 94 TYR QD 2.97
&rst
ixpk= 0, nxpk= 0, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2=1890,1899,
&end
#
# 94 TYR HA 94 TYR QE 4.88
&rst
ixpk= 0, nxpk= 0, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1892,1897,
&end
#
# 94 TYR HA 95 THR H 3.29
&rst
ixpk= 0, nxpk= 0, iat=1884,1903, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 94 TYR HA 95 THR HA 4.41
&rst
ixpk= 0, nxpk= 0, iat=1884,1905, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 94 TYR HA 95 THR QG2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1884, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1909,1910,1911,
&end
#
# 94 TYR HB2 95 THR H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1886,1903, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 94 TYR HB3 95 THR H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1887,1903, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 94 TYR QB 95 THR H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1886,1887,
&end
#
# 94 TYR QB 103 LYS QB 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1886,1887,
igr2=2034,2035,
&end
#
# 94 TYR QB 103 LYS QE 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1886,1887,
igr2=2043,2044,
&end
#
# 94 TYR QB 103 LYS QG 5.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
igr1=1886,1887,
igr2=2037,2038,
&end
#
# 94 TYR QB 105 GLU HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1886,1887,
&end
#
# 94 TYR QD 95 THR H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1890,1899,
&end
#
# 94 TYR QD 95 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1890,1899,
igr2=1909,1910,1911,
&end
#
# 94 TYR QD 103 LYS QE 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1890,1899,
igr2=2043,2044,
&end
#
# 94 TYR QD 105 GLU HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2061, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1890,1899,
&end
#
# 94 TYR QD 105 GLU HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1890,1899,
&end
#
# 94 TYR QD 105 GLU HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2064, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1890,1899,
&end
#
# 94 TYR QD 105 GLU HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1890,1899,
&end
#
# 94 TYR QD 106 ALA H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1890,1899,
&end
#
# 94 TYR QD 106 ALA HA 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr1=1890,1899,
&end
#
# 94 TYR QD 106 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1890,1899,
igr2=2078,2079,2080,
&end
#
# 94 TYR QD 107 THR H 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1890,1899,
&end
#
# 94 TYR QE 105 GLU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2064, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1892,1897,
&end
#
# 94 TYR QE 106 ALA H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2074, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1892,1897,
&end
#
# 94 TYR QE 106 ALA HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2076, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1892,1897,
&end
#
# 94 TYR QE 106 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1892,1897,
igr2=2078,2079,2080,
&end
#
# 94 TYR QE 107 THR H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1892,1897,
&end
#
# 94 TYR QE 107 THR HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1892,1897,
&end
#
# 94 TYR QE 107 THR HB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1892,1897,
&end
#
# 94 TYR QE 107 THR QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1892,1897,
igr2=2090,2091,2092,
&end
#
# 95 THR H 95 THR HB 3.87
&rst
ixpk= 0, nxpk= 0, iat=1903,1907, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 95 THR H 95 THR QG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1909,1910,1911,
&end
#
# 95 THR H 96 ASP H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1903,1917, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 95 THR H 102 LEU QQD 4.65
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 95 THR H 103 LYS H 5.04
&rst
ixpk= 0, nxpk= 0, iat=1903,2030, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 95 THR HA 95 THR HB 2.85
&rst
ixpk= 0, nxpk= 0, iat=1905,1907, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 95 THR HA 95 THR QG2 2.79
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr2=1909,1910,1911,
&end
#
# 95 THR HA 96 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1905,1917, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 95 THR HA 102 LEU HA 3.20
&rst
ixpk= 0, nxpk= 0, iat=1905,2013, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 95 THR HA 102 LEU HB2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1905,2015, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 95 THR HA 102 LEU QQD 3.37
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 95 THR HA 103 LYS H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1905,2030, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 95 THR HA 103 LYS HA 4.50
&rst
ixpk= 0, nxpk= 0, iat=1905,2032, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 THR HA 103 LYS HB2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1905,2034, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 95 THR HA 103 LYS HB3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1905,2035, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 95 THR HA 103 LYS QG 5.29
&rst
ixpk= 0, nxpk= 0, iat=1905, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=2037,2038,
&end
#
# 95 THR HB 96 ASP H 3.10
&rst
ixpk= 0, nxpk= 0, iat=1907,1917, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 95 THR HB 96 ASP HB2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1907,1921, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 95 THR HB 96 ASP HB3 5.27
&rst
ixpk= 0, nxpk= 0, iat=1907,1922, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 95 THR HB 99 THR QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1974,1975,1976,
&end
#
# 95 THR HB 100 GLY H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1907,1982, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 95 THR HB 100 GLY HA2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1907,1984, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 95 THR HB 101 LYS H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1907,1989, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 95 THR HB 101 LYS HA 4.00
&rst
ixpk= 0, nxpk= 0, iat=1907,1991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 95 THR HB 101 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1907,1994, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 THR HB 102 LEU H 4.67
&rst
ixpk= 0, nxpk= 0, iat=1907,2011, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 95 THR HB 102 LEU HA 3.80
&rst
ixpk= 0, nxpk= 0, iat=1907,2013, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 95 THR HB 102 LEU QQD 4.03
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 95 THR HB 103 LYS H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1907,2030, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 95 THR HB 103 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1907, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2034,2035,
&end
#
# 95 THR QG2 96 ASP H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1917, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 100 GLY HA2 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 101 LYS H 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 101 LYS HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 102 LEU H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2011, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 102 LEU HA 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2013, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 102 LEU HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2015, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 102 LEU HG 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2018, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 102 LEU QQD 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1909,1910,1911,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 95 THR QG2 103 LYS H 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2030, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 103 LYS HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2032, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1=1909,1910,1911,
&end
#
# 95 THR QG2 103 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1909,1910,1911,
igr2=2034,2035,
&end
#
# 96 ASP H 96 ASP HB2 3.20
&rst
ixpk= 0, nxpk= 0, iat=1917,1921, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 96 ASP H 96 ASP HB3 3.38
&rst
ixpk= 0, nxpk= 0, iat=1917,1922, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 96 ASP H 99 THR H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1917,1968, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 96 ASP H 100 GLY H 4.33
&rst
ixpk= 0, nxpk= 0, iat=1917,1982, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 96 ASP H 100 GLY HA3 6.00
&rst
ixpk= 0, nxpk= 0, iat=1917,1985, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 96 ASP H 101 LYS H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1917,1989, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 96 ASP H 101 LYS HA 4.79
&rst
ixpk= 0, nxpk= 0, iat=1917,1991, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 96 ASP H 102 LEU H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1917,2011, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 96 ASP H 102 LEU HA 4.34
&rst
ixpk= 0, nxpk= 0, iat=1917,2013, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 96 ASP H 102 LEU QQD 4.87
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 96 ASP H 103 LYS H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1917,2030, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 96 ASP H 103 LYS HA 4.58
&rst
ixpk= 0, nxpk= 0, iat=1917,2032, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 96 ASP H 103 LYS QB 4.52
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2034,2035,
&end
#
# 96 ASP H 103 LYS QG 5.33
&rst
ixpk= 0, nxpk= 0, iat=1917, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=2037,2038,
&end
#
# 96 ASP HA 97 ARG H 3.38
&rst
ixpk= 0, nxpk= 0, iat=1919,1929, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 96 ASP HA 97 ARG HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=1919,1931, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 96 ASP HA 97 ARG QB 4.65
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1933,1934,
&end
#
# 96 ASP HA 97 ARG QD 4.82
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1939,1940,
&end
#
# 96 ASP HA 97 ARG QG 6.00
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1936,1937,
&end
#
# 96 ASP HA 98 GLU H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1919,1953, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 96 ASP HA 103 LYS HA 4.68
&rst
ixpk= 0, nxpk= 0, iat=1919,2032, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 96 ASP HA 103 LYS HE2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1919,2043, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 96 ASP HA 103 LYS HE3 3.64
&rst
ixpk= 0, nxpk= 0, iat=1919,2044, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 96 ASP HA 103 LYS QB 3.37
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2034,2035,
&end
#
# 96 ASP HA 103 LYS QD 4.45
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2040,2041,
&end
#
# 96 ASP HA 103 LYS QE 3.16
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=2043,2044,
&end
#
# 96 ASP HA 103 LYS QG 4.06
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=2037,2038,
&end
#
# 96 ASP HB2 97 ARG H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1921,1929, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 96 ASP HB2 98 GLU H 5.40
&rst
ixpk= 0, nxpk= 0, iat=1921,1953, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 96 ASP HB2 99 THR H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1921,1968, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 96 ASP HB2 99 THR QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1974,1975,1976,
&end
#
# 96 ASP HB2 100 GLY H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1921,1982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 96 ASP HB2 100 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1921,1984, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ASP HB2 101 LYS H 3.73
&rst
ixpk= 0, nxpk= 0, iat=1921,1989, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 96 ASP HB2 103 LYS HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=1921,2032, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 96 ASP HB2 103 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1921,2034, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ASP HB2 103 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1921,2035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 ASP HB2 103 LYS QB 4.81
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2034,2035,
&end
#
# 96 ASP HB2 103 LYS QE 5.09
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=2043,2044,
&end
#
# 96 ASP HB2 103 LYS QG 4.88
&rst
ixpk= 0, nxpk= 0, iat=1921, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2037,2038,
&end
#
# 96 ASP HB3 98 GLU HG3 5.18
&rst
ixpk= 0, nxpk= 0, iat=1922,1961, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 96 ASP HB3 99 THR H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1922,1968, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 96 ASP HB3 99 THR QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=1922, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1974,1975,1976,
&end
#
# 96 ASP HB3 100 GLY H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1922,1982, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 96 ASP HB3 101 LYS H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1922,1989, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 97 ARG H 97 ARG QB 3.27
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1933,1934,
&end
#
# 97 ARG H 97 ARG QD 4.70
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1939,1940,
&end
#
# 97 ARG H 97 ARG QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=1929, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1936,1937,
&end
#
# 97 ARG H 98 GLU H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1929,1953, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 97 ARG H 99 THR H 4.94
&rst
ixpk= 0, nxpk= 0, iat=1929,1968, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 97 ARG HA 97 ARG QB 2.70
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,
igr2=1933,1934,
&end
#
# 97 ARG HA 97 ARG QD 4.10
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1939,1940,
&end
#
# 97 ARG HA 97 ARG QG 3.53
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1936,1937,
&end
#
# 97 ARG HA 98 GLU H 3.34
&rst
ixpk= 0, nxpk= 0, iat=1931,1953, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 97 ARG HA 98 GLU HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1931,1955, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 97 ARG HA 98 GLU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1931, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1957,1958,
&end
#
# 97 ARG HA 99 THR H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1931,1968, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 97 ARG HA 100 GLY HA2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1931,1984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 97 ARG QB 97 ARG QD 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=1933,1934,
igr2=1939,1940,
&end
#
# 97 ARG QB 97 ARG QG 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr1=1933,1934,
igr2=1936,1937,
&end
#
# 97 ARG QB 98 GLU H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1933,1934,
&end
#
# 97 ARG QB 98 GLU HG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1933,1934,
&end
#
# 97 ARG QB 98 GLU HG3 5.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1933,1934,
&end
#
# 97 ARG QB 99 THR H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1933,1934,
&end
#
# 97 ARG QD 98 GLU H 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1939,1940,
&end
#
# 97 ARG QD 103 LYS QE 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1939,1940,
igr2=2043,2044,
&end
#
# 97 ARG QG 98 GLU HG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1936,1937,
&end
#
# 98 GLU H 98 GLU HG2 3.13
&rst
ixpk= 0, nxpk= 0, iat=1953,1960, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 98 GLU H 98 GLU HG3 3.12
&rst
ixpk= 0, nxpk= 0, iat=1953,1961, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 98 GLU H 98 GLU QB 3.50
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1957,1958,
&end
#
# 98 GLU H 99 THR H 2.69
&rst
ixpk= 0, nxpk= 0, iat=1953,1968, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 98 GLU H 99 THR HA 5.14
&rst
ixpk= 0, nxpk= 0, iat=1953,1970, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 98 GLU H 99 THR QG2 3.57
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1974,1975,1976,
&end
#
# 98 GLU H 101 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1953,1989, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLU HA 98 GLU HB3 2.93
&rst
ixpk= 0, nxpk= 0, iat=1955,1958, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 98 GLU HA 98 GLU HG2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1955,1960, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 98 GLU HA 98 GLU HG3 3.73
&rst
ixpk= 0, nxpk= 0, iat=1955,1961, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 98 GLU HA 98 GLU QB 2.41
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,
igr2=1957,1958,
&end
#
# 98 GLU HA 99 THR H 3.54
&rst
ixpk= 0, nxpk= 0, iat=1955,1968, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 98 GLU HB2 99 THR H 4.15
&rst
ixpk= 0, nxpk= 0, iat=1957,1968, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 98 GLU HB2 99 THR HA 4.57
&rst
ixpk= 0, nxpk= 0, iat=1957,1970, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 98 GLU HB2 99 THR HB 4.84
&rst
ixpk= 0, nxpk= 0, iat=1957,1972, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 98 GLU HB2 99 THR QG2 3.98
&rst
ixpk= 0, nxpk= 0, iat=1957, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1974,1975,1976,
&end
#
# 98 GLU HB3 98 GLU HG2 2.98
&rst
ixpk= 0, nxpk= 0, iat=1958,1960, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 98 GLU HG2 99 THR H 3.85
&rst
ixpk= 0, nxpk= 0, iat=1960,1968, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 98 GLU HG2 99 THR QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1974,1975,1976,
&end
#
# 98 GLU HG2 103 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2043,2044,
&end
#
# 98 GLU HG3 99 THR H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1961,1968, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 98 GLU HG3 99 THR HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1961,1970, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 98 GLU HG3 99 THR HB 4.91
&rst
ixpk= 0, nxpk= 0, iat=1961,1972, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 98 GLU HG3 99 THR QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1974,1975,1976,
&end
#
# 98 GLU HG3 100 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat=1961,1982, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 98 GLU QB 98 GLU HG2 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1960, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19,
igr1=1957,1958,
&end
#
# 98 GLU QB 99 THR H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1968, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1957,1958,
&end
#
# 98 GLU QB 99 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1970, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1957,1958,
&end
#
# 98 GLU QB 99 THR QG2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1957,1958,
igr2=1974,1975,1976,
&end
#
# 98 GLU QB 100 GLY H 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1957,1958,
&end
#
# 99 THR H 99 THR HB 3.78
&rst
ixpk= 0, nxpk= 0, iat=1968,1972, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 99 THR H 99 THR QG2 2.69
&rst
ixpk= 0, nxpk= 0, iat=1968, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=1974,1975,1976,
&end
#
# 99 THR H 100 GLY H 2.82
&rst
ixpk= 0, nxpk= 0, iat=1968,1982, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 99 THR H 100 GLY HA2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1968,1984, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 99 THR H 100 GLY HA3 4.68
&rst
ixpk= 0, nxpk= 0, iat=1968,1985, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 99 THR H 101 LYS H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1968,1989, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 99 THR HA 99 THR HB 2.61
&rst
ixpk= 0, nxpk= 0, iat=1970,1972, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 99 THR HA 99 THR QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat=1970, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1974,1975,1976,
&end
#
# 99 THR HB 100 GLY H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1972,1982, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 99 THR QG2 100 GLY H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1982, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1974,1975,1976,
&end
#
# 99 THR QG2 100 GLY HA2 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1984, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1974,1975,1976,
&end
#
# 99 THR QG2 101 LYS H 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1989, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1974,1975,1976,
&end
#
# 99 THR QG2 101 LYS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1991, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1974,1975,1976,
&end
#
# 99 THR QG2 101 LYS HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1974,1975,1976,
&end
#
# 100 GLY H 101 LYS H 2.97
&rst
ixpk= 0, nxpk= 0, iat=1982,1989, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 100 GLY H 101 LYS HB3 5.19
&rst
ixpk= 0, nxpk= 0, iat=1982,1994, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 100 GLY HA2 101 LYS HA 4.52
&rst
ixpk= 0, nxpk= 0, iat=1984,1991, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 101 LYS H 101 LYS HB2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1989,1993, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 101 LYS H 101 LYS HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1989,1994, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 101 LYS H 102 LEU H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1989,2011, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 101 LYS H 102 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1989, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 101 LYS HA 101 LYS HB3 2.92
&rst
ixpk= 0, nxpk= 0, iat=1991,1994, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 101 LYS HA 102 LEU H 2.74
&rst
ixpk= 0, nxpk= 0, iat=1991,2011, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 101 LYS HB2 102 LEU H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1993,2011, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 101 LYS HB2 102 LEU HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1993,2015, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 101 LYS HB3 102 LEU H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1994,2011, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 102 LEU H 102 LEU QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=2011, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2015,2016,
&end
#
# 102 LEU H 103 LYS H 4.68
&rst
ixpk= 0, nxpk= 0, iat=2011,2030, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 102 LEU HA 102 LEU HG 3.98
&rst
ixpk= 0, nxpk= 0, iat=2013,2018, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 102 LEU HA 102 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2024,2025,2026,
&end
#
# 102 LEU HA 102 LEU QQD 3.18
&rst
ixpk= 0, nxpk= 0, iat=2013, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 102 LEU HB3 102 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=2016, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2020,2021,2022,
&end
#
# 102 LEU QB 102 LEU QQD 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=2015,2016,
igr2=2020,2021,2022,2024,2025,2026,
&end
#
# 102 LEU QB 104 GLY H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2015,2016,
&end
#
# 102 LEU QQD 103 LYS H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2030, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=2020,2021,2022,2024,2025,2026,
&end
#
# 102 LEU QQD 104 GLY H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=2020,2021,2022,2024,2025,2026,
&end
#
# 102 LEU QQD 104 GLY QA 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
igr1=2020,2021,2022,2024,2025,2026,
igr2=2054,2055,
&end
#
# 102 LEU QQD 105 GLU H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=2020,2021,2022,2024,2025,2026,
&end
#
# 103 LYS H 103 LYS HB2 4.02
&rst
ixpk= 0, nxpk= 0, iat=2030,2034, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 103 LYS H 103 LYS HB3 4.02
&rst
ixpk= 0, nxpk= 0, iat=2030,2035, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 103 LYS H 103 LYS QB 3.32
&rst
ixpk= 0, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2034,2035,
&end
#
# 103 LYS H 103 LYS QE 4.79
&rst
ixpk= 0, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2043,2044,
&end
#
# 103 LYS H 103 LYS QG 4.00
&rst
ixpk= 0, nxpk= 0, iat=2030, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2037,2038,
&end
#
# 103 LYS H 104 GLY H 3.69
&rst
ixpk= 0, nxpk= 0, iat=2030,2052, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 103 LYS H 104 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2030,2055, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 LYS H 105 GLU H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2030,2059, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 103 LYS HA 103 LYS QB 2.51
&rst
ixpk= 0, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
igr2=2034,2035,
&end
#
# 103 LYS HA 103 LYS QE 4.46
&rst
ixpk= 0, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2043,2044,
&end
#
# 103 LYS HA 103 LYS QG 3.37
&rst
ixpk= 0, nxpk= 0, iat=2032, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2037,2038,
&end
#
# 103 LYS HB2 103 LYS HE2 4.35
&rst
ixpk= 0, nxpk= 0, iat=2034,2043, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 103 LYS HB2 103 LYS HE3 4.35
&rst
ixpk= 0, nxpk= 0, iat=2034,2044, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 103 LYS HB2 104 GLY H 5.05
&rst
ixpk= 0, nxpk= 0, iat=2034,2052, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 103 LYS HB2 105 GLU H 5.38
&rst
ixpk= 0, nxpk= 0, iat=2034,2059, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 103 LYS HB3 103 LYS HE2 4.35
&rst
ixpk= 0, nxpk= 0, iat=2035,2043, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 103 LYS HB3 103 LYS HE3 4.35
&rst
ixpk= 0, nxpk= 0, iat=2035,2044, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 103 LYS HB3 104 GLY H 5.05
&rst
ixpk= 0, nxpk= 0, iat=2035,2052, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 103 LYS HB3 105 GLU H 5.38
&rst
ixpk= 0, nxpk= 0, iat=2035,2059, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 103 LYS QB 103 LYS QD 2.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=2034,2035,
igr2=2040,2041,
&end
#
# 103 LYS QB 103 LYS QE 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=2034,2035,
igr2=2043,2044,
&end
#
# 103 LYS QB 104 GLY H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2052, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2034,2035,
&end
#
# 103 LYS QB 105 GLU H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2034,2035,
&end
#
# 103 LYS QB 105 GLU HB2 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2063, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2034,2035,
&end
#
# 103 LYS QG 103 LYS QE 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=2037,2038,
igr2=2043,2044,
&end
#
# 103 LYS QG 104 GLY HA2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2054, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2037,2038,
&end
#
# 103 LYS QG 104 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2055, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2037,2038,
&end
#
# 103 LYS QG 105 GLU H 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2059, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=2037,2038,
&end
#
# 104 GLY H 105 GLU H 3.36
&rst
ixpk= 0, nxpk= 0, iat=2052,2059, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 104 GLY HA2 105 GLU HG3 5.40
&rst
ixpk= 0, nxpk= 0, iat=2054,2067, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 105 GLU H 105 GLU HG2 5.40
&rst
ixpk= 0, nxpk= 0, iat=2059,2066, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 105 GLU H 105 GLU HG3 5.00
&rst
ixpk= 0, nxpk= 0, iat=2059,2067, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 105 GLU H 106 ALA H 4.81
&rst
ixpk= 0, nxpk= 0, iat=2059,2074, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 105 GLU HA 105 GLU HG2 3.98
&rst
ixpk= 0, nxpk= 0, iat=2061,2066, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 105 GLU HA 105 GLU HG3 3.88
&rst
ixpk= 0, nxpk= 0, iat=2061,2067, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 105 GLU HA 106 ALA H 3.13
&rst
ixpk= 0, nxpk= 0, iat=2061,2074, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 105 GLU HA 106 ALA QB 4.28
&rst
ixpk= 0, nxpk= 0, iat=2061, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2078,2079,2080,
&end
#
# 105 GLU HB2 106 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat=2063,2074, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 105 GLU HB3 106 ALA H 4.41
&rst
ixpk= 0, nxpk= 0, iat=2064,2074, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 105 GLU HG3 106 ALA H 5.16
&rst
ixpk= 0, nxpk= 0, iat=2067,2074, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 106 ALA H 106 ALA QB 3.07
&rst
ixpk= 0, nxpk= 0, iat=2074, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=2078,2079,2080,
&end
#
# 106 ALA H 107 THR H 4.39
&rst
ixpk= 0, nxpk= 0, iat=2074,2084, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 106 ALA H 107 THR HA 5.02
&rst
ixpk= 0, nxpk= 0, iat=2074,2086, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 106 ALA HA 107 THR H 3.12
&rst
ixpk= 0, nxpk= 0, iat=2076,2084, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 106 ALA HA 107 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2076, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2090,2091,2092,
&end
#
# 106 ALA QB 107 THR H 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2084, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=2078,2079,2080,
&end
#
# 106 ALA QB 107 THR HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2086, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2078,2079,2080,
&end
#
# 106 ALA QB 107 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2088, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2078,2079,2080,
&end
#
# 106 ALA QB 107 THR QG2 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
igr1=2078,2079,2080,
igr2=2090,2091,2092,
&end
#
# 106 ALA QB 108 VAL H 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=2078,2079,2080,
&end
#
# 106 ALA QB 108 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2078,2079,2080,
&end
#
# 106 ALA QB 108 VAL QG1 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=2078,2079,2080,
igr2=2104,2105,2106,
&end
#
# 106 ALA QB 108 VAL QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2078,2079,2080,
igr2=2108,2109,2110,
&end
#
# 106 ALA QB 128 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2078,2079,2080,
igr2=2401,2405,
&end
#
# 107 THR H 107 THR QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2090,2091,2092,
&end
#
# 107 THR H 108 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat=2084,2098, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 107 THR H 108 VAL QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat=2084, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=2108,2109,2110,
&end
#
# 107 THR HA 107 THR QG2 2.93
&rst
ixpk= 0, nxpk= 0, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=2090,2091,2092,
&end
#
# 107 THR HA 108 VAL H 3.27
&rst
ixpk= 0, nxpk= 0, iat=2086,2098, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 107 THR HA 108 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2104,2105,2106,
&end
#
# 107 THR HA 108 VAL QG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=2108,2109,2110,
&end
#
# 107 THR HA 138 ALA QB 4.65
&rst
ixpk= 0, nxpk= 0, iat=2086, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2549,2550,2551,
&end
#
# 107 THR HB 108 VAL H 4.16
&rst
ixpk= 0, nxpk= 0, iat=2088,2098, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 107 THR HB 108 VAL QG2 5.16
&rst
ixpk= 0, nxpk= 0, iat=2088, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=2108,2109,2110,
&end
#
# 107 THR QG2 108 VAL H 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2098, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2090,2091,2092,
&end
#
# 107 THR QG2 108 VAL HA 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2100, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2090,2091,2092,
&end
#
# 107 THR QG2 108 VAL QG2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1=2090,2091,2092,
igr2=2108,2109,2110,
&end
#
# 107 THR QG2 109 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2090,2091,2092,
&end
#
# 107 THR QG2 138 ALA H 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=2090,2091,2092,
&end
#
# 107 THR QG2 138 ALA HA 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2547, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2090,2091,2092,
&end
#
# 107 THR QG2 138 ALA QB 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=2090,2091,2092,
igr2=2549,2550,2551,
&end
#
# 108 VAL H 108 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat=2098,2102, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 108 VAL H 108 VAL QG1 4.01
&rst
ixpk= 0, nxpk= 0, iat=2098, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2104,2105,2106,
&end
#
# 108 VAL H 108 VAL QG2 3.34
&rst
ixpk= 0, nxpk= 0, iat=2098, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2108,2109,2110,
&end
#
# 108 VAL H 109 SER H 4.63
&rst
ixpk= 0, nxpk= 0, iat=2098,2114, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 108 VAL HA 108 VAL QG1 3.12
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2104,2105,2106,
&end
#
# 108 VAL HA 108 VAL QG2 3.19
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2108,2109,2110,
&end
#
# 108 VAL HA 109 SER H 3.06
&rst
ixpk= 0, nxpk= 0, iat=2100,2114, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 108 VAL HA 109 SER QB 4.87
&rst
ixpk= 0, nxpk= 0, iat=2100, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=2118,2119,
&end
#
# 108 VAL HB 110 PHE QE 4.92
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2135,2139,
&end
#
# 108 VAL HB 119 ALA QB 5.37
&rst
ixpk= 0, nxpk= 0, iat=2102, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=2254,2255,2256,
&end
#
# 108 VAL QG1 109 SER H 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=2104,2105,2106,
&end
#
# 108 VAL QG1 109 SER HA 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2116, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2104,2105,2106,
&end
#
# 108 VAL QG1 109 SER QB 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=2104,2105,2106,
igr2=2118,2119,
&end
#
# 108 VAL QG1 110 PHE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2127, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2104,2105,2106,
&end
#
# 108 VAL QG1 110 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2137, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2104,2105,2106,
&end
#
# 108 VAL QG1 110 PHE QD 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=2104,2105,2106,
igr2=2133,2141,
&end
#
# 108 VAL QG1 110 PHE QE 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2104,2105,2106,
igr2=2135,2139,
&end
#
# 108 VAL QG1 119 ALA QB 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1=2104,2105,2106,
igr2=2254,2255,2256,
&end
#
# 108 VAL QG1 135 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
igr1=2104,2105,2106,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 108 VAL QG2 109 SER H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2114, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=2108,2109,2110,
&end
#
# 108 VAL QG2 110 PHE QE 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=2108,2109,2110,
igr2=2135,2139,
&end
#
# 108 VAL QG2 119 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=2108,2109,2110,
igr2=2254,2255,2256,
&end
#
# 108 VAL QG2 128 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2108,2109,2110,
&end
#
# 108 VAL QG2 128 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2108,2109,2110,
igr2=2401,2405,
&end
#
# 109 SER H 109 SER HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat=2114,2118, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 109 SER H 109 SER HB3 3.91
&rst
ixpk= 0, nxpk= 0, iat=2114,2119, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 109 SER H 109 SER QB 3.22
&rst
ixpk= 0, nxpk= 0, iat=2114, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=2118,2119,
&end
#
# 109 SER H 110 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=2114,2125, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 109 SER HA 110 PHE H 3.32
&rst
ixpk= 0, nxpk= 0, iat=2116,2125, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 109 SER HA 110 PHE QD 4.78
&rst
ixpk= 0, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=2133,2141,
&end
#
# 109 SER HA 116 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2212,2213,2214,
&end
#
# 109 SER HA 138 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2116, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2549,2550,2551,
&end
#
# 109 SER HB2 110 PHE H 5.39
&rst
ixpk= 0, nxpk= 0, iat=2118,2125, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 109 SER HB3 110 PHE H 5.39
&rst
ixpk= 0, nxpk= 0, iat=2119,2125, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 110 PHE H 110 PHE HB2 3.83
&rst
ixpk= 0, nxpk= 0, iat=2125,2129, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 110 PHE H 110 PHE QD 3.67
&rst
ixpk= 0, nxpk= 0, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=2133,2141,
&end
#
# 110 PHE H 111 ASP H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2125,2145, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 110 PHE H 112 ASP H 5.38
&rst
ixpk= 0, nxpk= 0, iat=2125,2157, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 110 PHE H 116 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2125,2208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 PHE H 116 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=2125, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2212,2213,2214,
&end
#
# 110 PHE HA 110 PHE QD 3.82
&rst
ixpk= 0, nxpk= 0, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2133,2141,
&end
#
# 110 PHE HA 111 ASP H 3.46
&rst
ixpk= 0, nxpk= 0, iat=2127,2145, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 110 PHE HA 111 ASP HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=2127,2147, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 110 PHE HA 111 ASP HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=2127,2150, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 110 PHE HA 112 ASP H 4.29
&rst
ixpk= 0, nxpk= 0, iat=2127,2157, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 110 PHE HA 116 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2127, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2212,2213,2214,
&end
#
# 110 PHE HB2 111 ASP H 4.69
&rst
ixpk= 0, nxpk= 0, iat=2129,2145, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 110 PHE HB2 112 ASP H 4.83
&rst
ixpk= 0, nxpk= 0, iat=2129,2157, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 110 PHE HB2 113 PRO HA 5.03
&rst
ixpk= 0, nxpk= 0, iat=2129,2179, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 110 PHE HB2 115 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2129,2201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 PHE HB2 115 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2129,2202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 PHE HB2 115 SER QB 4.73
&rst
ixpk= 0, nxpk= 0, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2201,2202,
&end
#
# 110 PHE HB2 116 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat=2129,2208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 110 PHE HB2 116 ALA QB 4.29
&rst
ixpk= 0, nxpk= 0, iat=2129, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2212,2213,2214,
&end
#
# 110 PHE HB3 111 ASP H 3.91
&rst
ixpk= 0, nxpk= 0, iat=2130,2145, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 110 PHE HB3 111 ASP HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat=2130,2149, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 110 PHE HB3 112 ASP H 3.61
&rst
ixpk= 0, nxpk= 0, iat=2130,2157, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 110 PHE HB3 112 ASP HA 5.14
&rst
ixpk= 0, nxpk= 0, iat=2130,2159, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 110 PHE HB3 114 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2130,2184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 PHE HB3 115 SER HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat=2130,2201, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 110 PHE HB3 115 SER HB3 4.92
&rst
ixpk= 0, nxpk= 0, iat=2130,2202, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 110 PHE HB3 115 SER QB 4.22
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2201,2202,
&end
#
# 110 PHE HB3 116 ALA HA 4.53
&rst
ixpk= 0, nxpk= 0, iat=2130,2210, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 110 PHE HB3 116 ALA QB 4.82
&rst
ixpk= 0, nxpk= 0, iat=2130, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2212,2213,2214,
&end
#
# 110 PHE HZ 119 ALA HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=2137,2252, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 110 PHE HZ 119 ALA QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=2137, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2254,2255,2256,
&end
#
# 110 PHE QD 111 ASP H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2145, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=2133,2141,
&end
#
# 110 PHE QD 111 ASP HB3 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2150, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1=2133,2141,
&end
#
# 110 PHE QD 112 ASP H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2157, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=2133,2141,
&end
#
# 110 PHE QD 115 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2133,2141,
&end
#
# 110 PHE QD 115 SER HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2201, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2133,2141,
&end
#
# 110 PHE QD 115 SER HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,2202, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2133,2141,
&end
#
# 110 PHE QD 115 SER QB 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=2133,2141,
igr2=2201,2202,
&end
#
# 110 PHE QD 116 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=2133,2141,
&end
#
# 110 PHE QD 116 ALA HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=2133,2141,
&end
#
# 110 PHE QD 116 ALA QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=2133,2141,
igr2=2212,2213,2214,
&end
#
# 110 PHE QE 116 ALA HA 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2135,2139,
&end
#
# 110 PHE QE 119 ALA QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2135,2139,
igr2=2254,2255,2256,
&end
#
# 110 PHE QE 135 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2135,2139,
igr2=2504,2505,2506,
&end
#
# 110 PHE QE 135 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2135,2139,
igr2=2508,2509,2510,
&end
#
# 110 PHE QE 135 VAL QQG 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1=2135,2139,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 111 ASP H 111 ASP HB2 3.23
&rst
ixpk= 0, nxpk= 0, iat=2145,2149, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 111 ASP H 111 ASP HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=2145,2150, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 111 ASP H 112 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat=2145,2157, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 111 ASP H 112 ASP HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2145,2159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ASP H 112 ASP HB2 5.26
&rst
ixpk= 0, nxpk= 0, iat=2145,2161, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 111 ASP H 115 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=2145, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2201,2202,
&end
#
# 111 ASP HA 112 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2147,2161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 111 ASP HB2 112 ASP H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2149,2157, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 111 ASP HB3 112 ASP H 3.57
&rst
ixpk= 0, nxpk= 0, iat=2150,2157, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 112 ASP H 112 ASP HB2 3.26
&rst
ixpk= 0, nxpk= 0, iat=2157,2161, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 112 ASP H 112 ASP HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=2157,2162, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 112 ASP H 115 SER H 4.84
&rst
ixpk= 0, nxpk= 0, iat=2157,2197, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 112 ASP H 115 SER QB 3.93
&rst
ixpk= 0, nxpk= 0, iat=2157, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=2201,2202,
&end
#
# 112 ASP H 116 ALA H 4.93
&rst
ixpk= 0, nxpk= 0, iat=2157,2208, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 112 ASP HA 113 PRO HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=2159,2179, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 112 ASP HA 113 PRO HD2 3.51
&rst
ixpk= 0, nxpk= 0, iat=2159,2170, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 112 ASP HA 113 PRO HD3 3.59
&rst
ixpk= 0, nxpk= 0, iat=2159,2171, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 112 ASP HA 113 PRO QG 4.17
&rst
ixpk= 0, nxpk= 0, iat=2159, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2173,2174,
&end
#
# 112 ASP HA 114 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat=2159,2184, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 112 ASP HA 114 PRO HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat=2159,2185, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 112 ASP HB2 113 PRO HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=2161,2170, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 112 ASP HB2 113 PRO HD3 5.12
&rst
ixpk= 0, nxpk= 0, iat=2161,2171, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 112 ASP HB2 114 PRO HD2 3.71
&rst
ixpk= 0, nxpk= 0, iat=2161,2184, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 112 ASP HB2 114 PRO HD3 4.99
&rst
ixpk= 0, nxpk= 0, iat=2161,2185, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 112 ASP HB2 114 PRO HG2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2161,2187, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 112 ASP HB2 115 SER H 3.93
&rst
ixpk= 0, nxpk= 0, iat=2161,2197, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 112 ASP HB2 115 SER QB 4.14
&rst
ixpk= 0, nxpk= 0, iat=2161, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2201,2202,
&end
#
# 112 ASP HB2 116 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2161,2208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ASP HB3 113 PRO HD2 4.29
&rst
ixpk= 0, nxpk= 0, iat=2162,2170, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 112 ASP HB3 113 PRO HD3 4.46
&rst
ixpk= 0, nxpk= 0, iat=2162,2171, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 112 ASP HB3 114 PRO HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat=2162,2191, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 112 ASP HB3 114 PRO HD2 3.88
&rst
ixpk= 0, nxpk= 0, iat=2162,2184, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 112 ASP HB3 114 PRO HD3 4.26
&rst
ixpk= 0, nxpk= 0, iat=2162,2185, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 112 ASP HB3 114 PRO HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat=2162,2187, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 112 ASP HB3 114 PRO HG3 4.99
&rst
ixpk= 0, nxpk= 0, iat=2162,2188, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 112 ASP HB3 115 SER H 4.29
&rst
ixpk= 0, nxpk= 0, iat=2162,2197, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 112 ASP HB3 115 SER QB 4.02
&rst
ixpk= 0, nxpk= 0, iat=2162, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=2201,2202,
&end
#
# 113 PRO HA 115 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2179,2197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 113 PRO HA 116 ALA H 3.97
&rst
ixpk= 0, nxpk= 0, iat=2179,2208, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 113 PRO HA 116 ALA QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2212,2213,2214,
&end
#
# 113 PRO HA 137 PHE QE 5.90
&rst
ixpk= 0, nxpk= 0, iat=2179, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2535,2539,
&end
#
# 113 PRO HD2 114 PRO HB3 5.20
&rst
ixpk= 0, nxpk= 0, iat=2170,2191, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 113 PRO HD2 114 PRO HD2 4.63
&rst
ixpk= 0, nxpk= 0, iat=2170,2184, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 113 PRO HD2 114 PRO HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat=2170,2185, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 113 PRO HD3 114 PRO HD2 4.55
&rst
ixpk= 0, nxpk= 0, iat=2171,2184, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 113 PRO QB 114 PRO HD3 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2176,2177,
&end
#
# 113 PRO QB 116 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=2176,2177,
igr2=2212,2213,2214,
&end
#
# 113 PRO QG 114 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2173,2174,
&end
#
# 113 PRO QG 114 PRO HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2191, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=2173,2174,
&end
#
# 113 PRO QG 114 PRO HD2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2184, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2173,2174,
&end
#
# 113 PRO QG 114 PRO HD3 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2185, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2173,2174,
&end
#
# 114 PRO HA 116 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat=2193,2208, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 114 PRO HA 116 ALA QB 4.71
&rst
ixpk= 0, nxpk= 0, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=2212,2213,2214,
&end
#
# 114 PRO HA 117 LYS H 4.04
&rst
ixpk= 0, nxpk= 0, iat=2193,2218, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 114 PRO HA 117 LYS HB3 3.67
&rst
ixpk= 0, nxpk= 0, iat=2193,2223, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 114 PRO HA 117 LYS QG 5.25
&rst
ixpk= 0, nxpk= 0, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=2225,2226,
&end
#
# 114 PRO HA 118 ALA H 4.77
&rst
ixpk= 0, nxpk= 0, iat=2193,2240, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 114 PRO HA 118 ALA QB 5.43
&rst
ixpk= 0, nxpk= 0, iat=2193, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=2244,2245,2246,
&end
#
# 114 PRO HB2 115 SER H 4.05
&rst
ixpk= 0, nxpk= 0, iat=2190,2197, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 114 PRO HB2 115 SER HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2190,2199, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 114 PRO HB2 116 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2190,2208, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 114 PRO HB3 115 SER H 4.26
&rst
ixpk= 0, nxpk= 0, iat=2191,2197, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 114 PRO HD2 115 SER H 4.17
&rst
ixpk= 0, nxpk= 0, iat=2184,2197, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 114 PRO HD2 115 SER QB 5.12
&rst
ixpk= 0, nxpk= 0, iat=2184, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2201,2202,
&end
#
# 114 PRO HD3 115 SER H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2185,2197, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 114 PRO HG2 115 SER H 4.96
&rst
ixpk= 0, nxpk= 0, iat=2187,2197, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 114 PRO HG2 116 ALA H 4.99
&rst
ixpk= 0, nxpk= 0, iat=2187,2208, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 114 PRO HG3 115 SER H 4.99
&rst
ixpk= 0, nxpk= 0, iat=2188,2197, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 115 SER H 115 SER HB2 3.77
&rst
ixpk= 0, nxpk= 0, iat=2197,2201, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 115 SER H 115 SER HB3 3.77
&rst
ixpk= 0, nxpk= 0, iat=2197,2202, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 115 SER H 115 SER QB 3.13
&rst
ixpk= 0, nxpk= 0, iat=2197, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2201,2202,
&end
#
# 115 SER H 116 ALA H 3.14
&rst
ixpk= 0, nxpk= 0, iat=2197,2208, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 115 SER H 116 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat=2197, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2212,2213,2214,
&end
#
# 115 SER H 117 LYS H 4.82
&rst
ixpk= 0, nxpk= 0, iat=2197,2218, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 115 SER H 118 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=2197, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=2244,2245,2246,
&end
#
# 115 SER HA 116 ALA QB 5.10
&rst
ixpk= 0, nxpk= 0, iat=2199, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2212,2213,2214,
&end
#
# 115 SER HA 117 LYS H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2199,2218, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 115 SER HA 117 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2199,2223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 115 SER HA 118 ALA H 3.80
&rst
ixpk= 0, nxpk= 0, iat=2199,2240, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 115 SER HA 118 ALA QB 2.78
&rst
ixpk= 0, nxpk= 0, iat=2199, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2244,2245,2246,
&end
#
# 115 SER HA 119 ALA H 4.26
&rst
ixpk= 0, nxpk= 0, iat=2199,2250, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 115 SER HB2 116 ALA H 4.08
&rst
ixpk= 0, nxpk= 0, iat=2201,2208, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 115 SER HB2 118 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2201, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2244,2245,2246,
&end
#
# 115 SER HB3 116 ALA H 4.08
&rst
ixpk= 0, nxpk= 0, iat=2202,2208, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 115 SER HB3 118 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2202, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2244,2245,2246,
&end
#
# 115 SER QB 116 ALA H 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2208, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=2201,2202,
&end
#
# 115 SER QB 116 ALA HA 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,2210, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2201,2202,
&end
#
# 115 SER QB 116 ALA QB 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2201,2202,
igr2=2212,2213,2214,
&end
#
# 115 SER QB 117 LYS H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2201,2202,
&end
#
# 115 SER QB 118 ALA QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2201,2202,
igr2=2244,2245,2246,
&end
#
# 115 SER QB 119 ALA H 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2201,2202,
&end
#
# 115 SER QB 119 ALA QB 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2201,2202,
igr2=2254,2255,2256,
&end
#
# 116 ALA H 116 ALA QB 2.67
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=2212,2213,2214,
&end
#
# 116 ALA H 117 LYS H 3.18
&rst
ixpk= 0, nxpk= 0, iat=2208,2218, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 116 ALA H 117 LYS HB3 5.26
&rst
ixpk= 0, nxpk= 0, iat=2208,2223, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 116 ALA H 118 ALA H 4.48
&rst
ixpk= 0, nxpk= 0, iat=2208,2240, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 116 ALA H 118 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat=2208, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2244,2245,2246,
&end
#
# 116 ALA H 119 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat=2208,2250, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 116 ALA HA 118 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat=2210,2240, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 116 ALA HA 119 ALA H 4.13
&rst
ixpk= 0, nxpk= 0, iat=2210,2250, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 116 ALA HA 119 ALA QB 3.34
&rst
ixpk= 0, nxpk= 0, iat=2210, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2254,2255,2256,
&end
#
# 116 ALA HA 120 ILE HG12 5.68
&rst
ixpk= 0, nxpk= 0, iat=2210,2270, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, &end
#
# 116 ALA QB 117 LYS H 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2218, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=2212,2213,2214,
&end
#
# 116 ALA QB 117 LYS HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2220, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2212,2213,2214,
&end
#
# 116 ALA QB 117 LYS HB2 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2222, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=2212,2213,2214,
&end
#
# 116 ALA QB 117 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=2212,2213,2214,
igr2=2228,2229,
&end
#
# 116 ALA QB 118 ALA H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2212,2213,2214,
&end
#
# 116 ALA QB 120 ILE HG12 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=2212,2213,2214,
&end
#
# 116 ALA QB 120 ILE HG13 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=2212,2213,2214,
&end
#
# 116 ALA QB 120 ILE QD1 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2212,2213,2214,
igr2=2273,2274,2275,
&end
#
# 116 ALA QB 137 PHE HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2527, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=2212,2213,2214,
&end
#
# 116 ALA QB 137 PHE QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=2212,2213,2214,
igr2=2533,2541,
&end
#
# 116 ALA QB 137 PHE QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=2212,2213,2214,
igr2=2535,2539,
&end
#
# 116 ALA QB 138 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=2212,2213,2214,
igr2=2549,2550,2551,
&end
#
# 117 LYS H 117 LYS HB2 3.29
&rst
ixpk= 0, nxpk= 0, iat=2218,2222, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 117 LYS H 117 LYS HB3 3.25
&rst
ixpk= 0, nxpk= 0, iat=2218,2223, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 117 LYS H 117 LYS QD 4.47
&rst
ixpk= 0, nxpk= 0, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2228,2229,
&end
#
# 117 LYS H 118 ALA H 3.01
&rst
ixpk= 0, nxpk= 0, iat=2218,2240, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 117 LYS H 118 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2218,2242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS H 118 ALA QB 4.50
&rst
ixpk= 0, nxpk= 0, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2244,2245,2246,
&end
#
# 117 LYS H 119 ALA H 4.83
&rst
ixpk= 0, nxpk= 0, iat=2218,2250, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 117 LYS H 119 ALA QB 5.36
&rst
ixpk= 0, nxpk= 0, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2254,2255,2256,
&end
#
# 117 LYS H 120 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2218,2264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS H 120 ILE QD1 4.01
&rst
ixpk= 0, nxpk= 0, iat=2218, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2273,2274,2275,
&end
#
# 117 LYS HA 117 LYS HD2 3.74
&rst
ixpk= 0, nxpk= 0, iat=2220,2228, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 117 LYS HA 117 LYS HD3 3.74
&rst
ixpk= 0, nxpk= 0, iat=2220,2229, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 117 LYS HA 117 LYS HE2 4.56
&rst
ixpk= 0, nxpk= 0, iat=2220,2231, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 117 LYS HA 117 LYS HE3 4.56
&rst
ixpk= 0, nxpk= 0, iat=2220,2232, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 117 LYS HA 117 LYS QD 3.19
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=2228,2229,
&end
#
# 117 LYS HA 117 LYS QG 3.10
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2225,2226,
&end
#
# 117 LYS HA 118 ALA HA 4.85
&rst
ixpk= 0, nxpk= 0, iat=2220,2242, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 117 LYS HA 118 ALA QB 5.25
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=2244,2245,2246,
&end
#
# 117 LYS HA 119 ALA H 5.11
&rst
ixpk= 0, nxpk= 0, iat=2220,2250, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 117 LYS HA 120 ILE H 4.08
&rst
ixpk= 0, nxpk= 0, iat=2220,2260, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 117 LYS HA 120 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2220,2262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS HA 120 ILE HB 3.66
&rst
ixpk= 0, nxpk= 0, iat=2220,2264, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 117 LYS HA 120 ILE HG12 4.84
&rst
ixpk= 0, nxpk= 0, iat=2220,2270, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 117 LYS HA 120 ILE HG13 4.62
&rst
ixpk= 0, nxpk= 0, iat=2220,2271, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 117 LYS HA 120 ILE QD1 3.03
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=2273,2274,2275,
&end
#
# 117 LYS HA 120 ILE QG2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2266,2267,2268,
&end
#
# 117 LYS HA 121 ASP H 4.23
&rst
ixpk= 0, nxpk= 0, iat=2220,2279, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 117 LYS HA 137 PHE HZ 3.49
&rst
ixpk= 0, nxpk= 0, iat=2220,2537, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 117 LYS HA 137 PHE QE 4.43
&rst
ixpk= 0, nxpk= 0, iat=2220, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2535,2539,
&end
#
# 117 LYS HB2 117 LYS HD2 3.64
&rst
ixpk= 0, nxpk= 0, iat=2222,2228, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 117 LYS HB2 117 LYS HD3 3.64
&rst
ixpk= 0, nxpk= 0, iat=2222,2229, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 117 LYS HB2 117 LYS QE 4.56
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2231,2232,
&end
#
# 117 LYS HB2 118 ALA H 3.95
&rst
ixpk= 0, nxpk= 0, iat=2222,2240, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 117 LYS HB2 118 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2244,2245,2246,
&end
#
# 117 LYS HB2 120 ILE QD1 4.38
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2273,2274,2275,
&end
#
# 117 LYS HB2 137 PHE HZ 3.85
&rst
ixpk= 0, nxpk= 0, iat=2222,2537, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 117 LYS HB2 137 PHE QE 4.55
&rst
ixpk= 0, nxpk= 0, iat=2222, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=2535,2539,
&end
#
# 117 LYS HB3 117 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2231,2232,
&end
#
# 117 LYS HB3 117 LYS QG 2.96
&rst
ixpk= 0, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=2225,2226,
&end
#
# 117 LYS HB3 118 ALA H 3.51
&rst
ixpk= 0, nxpk= 0, iat=2223,2240, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 117 LYS HB3 118 ALA HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=2223,2242, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 117 LYS HB3 118 ALA QB 4.18
&rst
ixpk= 0, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2244,2245,2246,
&end
#
# 117 LYS HB3 119 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2223,2250, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS HB3 137 PHE HZ 4.06
&rst
ixpk= 0, nxpk= 0, iat=2223,2537, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 117 LYS HB3 137 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2223, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2535,2539,
&end
#
# 117 LYS HD2 137 PHE HZ 3.65
&rst
ixpk= 0, nxpk= 0, iat=2228,2537, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 117 LYS HD2 137 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2533,2541,
&end
#
# 117 LYS HD2 137 PHE QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2535,2539,
&end
#
# 117 LYS HD3 137 PHE HZ 3.65
&rst
ixpk= 0, nxpk= 0, iat=2229,2537, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 117 LYS HD3 137 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2533,2541,
&end
#
# 117 LYS HD3 137 PHE QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=2229, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=2535,2539,
&end
#
# 117 LYS HE2 120 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2231,2264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS HE2 120 ILE QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2231, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2266,2267,2268,
&end
#
# 117 LYS HE2 121 ASP HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat=2231,2283, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 117 LYS HE2 137 PHE HZ 4.90
&rst
ixpk= 0, nxpk= 0, iat=2231,2537, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 117 LYS HE3 120 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2232,2264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 117 LYS HE3 120 ILE QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=2232, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=2266,2267,2268,
&end
#
# 117 LYS HE3 121 ASP HB2 4.86
&rst
ixpk= 0, nxpk= 0, iat=2232,2283, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 117 LYS HE3 137 PHE HZ 4.90
&rst
ixpk= 0, nxpk= 0, iat=2232,2537, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 117 LYS QD 117 LYS QE 2.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr1=2228,2229,
igr2=2231,2232,
&end
#
# 117 LYS QD 118 ALA HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2228,2229,
&end
#
# 117 LYS QD 120 ILE QD1 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2228,2229,
igr2=2273,2274,2275,
&end
#
# 117 LYS QD 120 ILE QG2 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=2228,2229,
igr2=2266,2267,2268,
&end
#
# 117 LYS QD 121 ASP H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2228,2229,
&end
#
# 117 LYS QD 137 PHE QD 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2228,2229,
igr2=2533,2541,
&end
#
# 117 LYS QD 137 PHE QE 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=2228,2229,
igr2=2535,2539,
&end
#
# 117 LYS QE 118 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2231,2232,
&end
#
# 117 LYS QE 118 ALA QB 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=2231,2232,
igr2=2244,2245,2246,
&end
#
# 117 LYS QE 120 ILE HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,2264, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2231,2232,
&end
#
# 117 LYS QE 120 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2231,2232,
igr2=2273,2274,2275,
&end
#
# 117 LYS QE 121 ASP H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2231,2232,
&end
#
# 117 LYS QE 121 ASP HA 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2281, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2231,2232,
&end
#
# 117 LYS QE 121 ASP HB2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2231,2232,
&end
#
# 117 LYS QE 137 PHE HZ 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=2231,2232,
&end
#
# 117 LYS QE 137 PHE QE 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=2231,2232,
igr2=2535,2539,
&end
#
# 117 LYS QG 117 LYS HD2 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=2225,2226,
&end
#
# 117 LYS QG 117 LYS HD3 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2229, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=2225,2226,
&end
#
# 117 LYS QG 117 LYS HE2 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2231, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=2225,2226,
&end
#
# 117 LYS QG 117 LYS HE3 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2232, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=2225,2226,
&end
#
# 117 LYS QG 117 LYS QE 2.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=2225,2226,
igr2=2231,2232,
&end
#
# 117 LYS QG 118 ALA H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2240, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=2225,2226,
&end
#
# 117 LYS QG 118 ALA HA 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2242, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2225,2226,
&end
#
# 117 LYS QG 118 ALA QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2225,2226,
igr2=2244,2245,2246,
&end
#
# 117 LYS QG 120 ILE QD1 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2225,2226,
igr2=2273,2274,2275,
&end
#
# 117 LYS QG 120 ILE QG2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1=2225,2226,
igr2=2266,2267,2268,
&end
#
# 117 LYS QG 137 PHE HZ 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=2225,2226,
&end
#
# 117 LYS QG 137 PHE QE 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2225,2226,
igr2=2535,2539,
&end
#
# 118 ALA H 118 ALA QB 2.40
&rst
ixpk= 0, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr2=2244,2245,2246,
&end
#
# 118 ALA H 119 ALA H 3.07
&rst
ixpk= 0, nxpk= 0, iat=2240,2250, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 118 ALA H 119 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2240,2252, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 118 ALA H 120 ILE QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2273,2274,2275,
&end
#
# 118 ALA HA 120 ILE H 4.94
&rst
ixpk= 0, nxpk= 0, iat=2242,2260, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 118 ALA HA 121 ASP H 4.34
&rst
ixpk= 0, nxpk= 0, iat=2242,2279, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 118 ALA HA 121 ASP HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat=2242,2283, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 118 ALA HA 121 ASP HB3 4.38
&rst
ixpk= 0, nxpk= 0, iat=2242,2284, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 118 ALA HA 122 TRP H 4.40
&rst
ixpk= 0, nxpk= 0, iat=2242,2291, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 118 ALA HA 122 TRP HB2 4.66
&rst
ixpk= 0, nxpk= 0, iat=2242,2295, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 118 ALA HA 122 TRP HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat=2242,2296, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 118 ALA QB 119 ALA H 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2250, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr1=2244,2245,2246,
&end
#
# 118 ALA QB 119 ALA QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=2244,2245,2246,
igr2=2254,2255,2256,
&end
#
# 118 ALA QB 120 ILE H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2260, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=2244,2245,2246,
&end
#
# 118 ALA QB 121 ASP HB2 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=2244,2245,2246,
&end
#
# 118 ALA QB 121 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2244,2245,2246,
&end
#
# 118 ALA QB 122 TRP H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2244,2245,2246,
&end
#
# 118 ALA QB 122 TRP HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2244,2245,2246,
&end
#
# 118 ALA QB 122 TRP HB3 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=2244,2245,2246,
&end
#
# 118 ALA QB 122 TRP HD1 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2299, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr1=2244,2245,2246,
&end
#
# 119 ALA H 119 ALA QB 2.63
&rst
ixpk= 0, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2=2254,2255,2256,
&end
#
# 119 ALA H 120 ILE H 3.34
&rst
ixpk= 0, nxpk= 0, iat=2250,2260, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 119 ALA H 120 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2250,2262, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ALA H 120 ILE HB 5.26
&rst
ixpk= 0, nxpk= 0, iat=2250,2264, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 119 ALA H 120 ILE QD1 5.11
&rst
ixpk= 0, nxpk= 0, iat=2250, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=2273,2274,2275,
&end
#
# 119 ALA H 122 TRP H 4.95
&rst
ixpk= 0, nxpk= 0, iat=2250,2291, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 119 ALA H 123 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2250,2315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ALA HA 121 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2252,2279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 119 ALA HA 122 TRP H 4.05
&rst
ixpk= 0, nxpk= 0, iat=2252,2291, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 119 ALA HA 122 TRP HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat=2252,2295, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 119 ALA HA 122 TRP HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=2252,2296, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 119 ALA HA 123 PHE H 4.05
&rst
ixpk= 0, nxpk= 0, iat=2252,2315, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 119 ALA HA 123 PHE QD 3.23
&rst
ixpk= 0, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=2323,2331,
&end
#
# 119 ALA HA 123 PHE QE 4.12
&rst
ixpk= 0, nxpk= 0, iat=2252, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=2325,2329,
&end
#
# 119 ALA QB 120 ILE HA 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2262, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 120 ILE HB 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2264, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 120 ILE HG13 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 120 ILE QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2254,2255,2256,
igr2=2273,2274,2275,
&end
#
# 119 ALA QB 122 TRP HB2 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2295, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 122 TRP HB3 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,2296, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 123 PHE H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2315, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 123 PHE HB3 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2320, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 123 PHE QD 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=2254,2255,2256,
igr2=2323,2331,
&end
#
# 119 ALA QB 123 PHE QE 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=2254,2255,2256,
igr2=2325,2329,
&end
#
# 119 ALA QB 135 VAL HB 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=2254,2255,2256,
&end
#
# 119 ALA QB 135 VAL QQG 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2254,2255,2256,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE H 120 ILE HB 3.27
&rst
ixpk= 0, nxpk= 0, iat=2260,2264, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 120 ILE H 120 ILE HG12 3.88
&rst
ixpk= 0, nxpk= 0, iat=2260,2270, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 120 ILE H 120 ILE HG13 3.53
&rst
ixpk= 0, nxpk= 0, iat=2260,2271, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 120 ILE H 120 ILE QD1 3.40
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=2273,2274,2275,
&end
#
# 120 ILE H 120 ILE QG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=2266,2267,2268,
&end
#
# 120 ILE H 121 ASP H 3.24
&rst
ixpk= 0, nxpk= 0, iat=2260,2279, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 120 ILE H 122 TRP H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2260,2291, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 120 ILE H 122 TRP HB3 4.82
&rst
ixpk= 0, nxpk= 0, iat=2260,2296, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 120 ILE H 135 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2260,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 ILE H 135 VAL QQG 3.86
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE HA 120 ILE HG12 3.67
&rst
ixpk= 0, nxpk= 0, iat=2262,2270, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 120 ILE HA 120 ILE HG13 3.94
&rst
ixpk= 0, nxpk= 0, iat=2262,2271, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 120 ILE HA 120 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2273,2274,2275,
&end
#
# 120 ILE HA 120 ILE QG2 2.80
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2266,2267,2268,
&end
#
# 120 ILE HA 121 ASP HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=2262,2281, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 120 ILE HA 122 TRP H 4.70
&rst
ixpk= 0, nxpk= 0, iat=2262,2291, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 120 ILE HA 123 PHE H 5.19
&rst
ixpk= 0, nxpk= 0, iat=2262,2315, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 120 ILE HA 124 ASP H 3.79
&rst
ixpk= 0, nxpk= 0, iat=2262,2335, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 120 ILE HA 124 ASP HA 5.41
&rst
ixpk= 0, nxpk= 0, iat=2262,2337, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 120 ILE HA 124 ASP HB2 4.92
&rst
ixpk= 0, nxpk= 0, iat=2262,2339, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 120 ILE HA 124 ASP HB3 4.59
&rst
ixpk= 0, nxpk= 0, iat=2262,2340, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 120 ILE HA 135 VAL H 5.35
&rst
ixpk= 0, nxpk= 0, iat=2262,2498, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 120 ILE HA 135 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat=2262,2502, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 120 ILE HA 135 VAL QG1 3.90
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2504,2505,2506,
&end
#
# 120 ILE HA 135 VAL QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2508,2509,2510,
&end
#
# 120 ILE HA 135 VAL QQG 2.87
&rst
ixpk= 0, nxpk= 0, iat=2262, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE HA 136 SER H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2262,2514, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 120 ILE HB 120 ILE QD1 2.92
&rst
ixpk= 0, nxpk= 0, iat=2264, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2273,2274,2275,
&end
#
# 120 ILE HB 121 ASP H 3.25
&rst
ixpk= 0, nxpk= 0, iat=2264,2279, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 120 ILE HB 121 ASP HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=2264,2281, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 120 ILE HB 122 TRP H 4.80
&rst
ixpk= 0, nxpk= 0, iat=2264,2291, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 120 ILE HB 135 VAL QQG 4.08
&rst
ixpk= 0, nxpk= 0, iat=2264, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE HB 136 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2264,2516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 ILE HB 137 PHE HA 6.00
&rst
ixpk= 0, nxpk= 0, iat=2264,2527, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 120 ILE HB 137 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=2264,2537, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 ILE HB 137 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2264, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2533,2541,
&end
#
# 120 ILE HG12 121 ASP H 4.87
&rst
ixpk= 0, nxpk= 0, iat=2270,2279, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 120 ILE HG12 124 ASP H 5.80
&rst
ixpk= 0, nxpk= 0, iat=2270,2335, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 120 ILE HG12 135 VAL QQG 3.13
&rst
ixpk= 0, nxpk= 0, iat=2270, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE HG12 136 SER H 4.91
&rst
ixpk= 0, nxpk= 0, iat=2270,2514, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 120 ILE HG12 137 PHE H 5.06
&rst
ixpk= 0, nxpk= 0, iat=2270,2525, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 120 ILE HG13 121 ASP H 4.43
&rst
ixpk= 0, nxpk= 0, iat=2271,2279, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 120 ILE HG13 135 VAL QQG 3.52
&rst
ixpk= 0, nxpk= 0, iat=2271, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE QD1 121 ASP H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 135 VAL HB 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 135 VAL QQG 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2273,2274,2275,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE QD1 136 SER H 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 136 SER HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 136 SER HB3 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 137 PHE H 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2525, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 137 PHE HA 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2527, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 137 PHE HB2 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2529, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 137 PHE HB3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2530, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 137 PHE HZ 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2537, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=2273,2274,2275,
&end
#
# 120 ILE QD1 137 PHE QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=2273,2274,2275,
igr2=2533,2541,
&end
#
# 120 ILE QD1 137 PHE QE 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2273,2274,2275,
igr2=2535,2539,
&end
#
# 120 ILE QD1 138 ALA H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2273,2274,2275,
&end
#
# 120 ILE QG2 120 ILE HG12 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2270, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 120 ILE HG13 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2271, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 120 ILE QD1 2.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=2266,2267,2268,
igr2=2273,2274,2275,
&end
#
# 120 ILE QG2 121 ASP H 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2279, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 121 ASP HA 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,2281, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 121 ASP HB2 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2283, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 121 ASP HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2284, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 122 TRP H 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2291, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 123 PHE HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2319, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 124 ASP H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 124 ASP HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2337, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 124 ASP HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2339, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 124 ASP HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,2340, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 135 VAL H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2498, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 135 VAL HA 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 135 VAL HB 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 135 VAL QQG 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=2266,2267,2268,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 120 ILE QG2 136 SER HA 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2516, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 136 SER HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2518, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 136 SER HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2519, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 137 PHE H 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2525, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=2266,2267,2268,
&end
#
# 120 ILE QG2 137 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2529, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2266,2267,2268,
&end
#
# 121 ASP H 121 ASP HB2 3.17
&rst
ixpk= 0, nxpk= 0, iat=2279,2283, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 121 ASP H 121 ASP HB3 3.43
&rst
ixpk= 0, nxpk= 0, iat=2279,2284, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 121 ASP H 122 TRP H 3.26
&rst
ixpk= 0, nxpk= 0, iat=2279,2291, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 121 ASP H 122 TRP HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat=2279,2296, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 121 ASP H 135 VAL QQG 5.04
&rst
ixpk= 0, nxpk= 0, iat=2279, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 121 ASP HA 122 TRP H 3.53
&rst
ixpk= 0, nxpk= 0, iat=2281,2291, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 121 ASP HB2 122 TRP H 3.77
&rst
ixpk= 0, nxpk= 0, iat=2283,2291, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 121 ASP HB2 122 TRP HA 5.34
&rst
ixpk= 0, nxpk= 0, iat=2283,2293, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 121 ASP HB2 122 TRP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2283,2295, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 ASP HB2 122 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2283,2296, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 121 ASP HB3 122 TRP H 3.70
&rst
ixpk= 0, nxpk= 0, iat=2284,2291, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 121 ASP HB3 122 TRP HA 4.31
&rst
ixpk= 0, nxpk= 0, iat=2284,2293, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 121 ASP HB3 122 TRP HB2 4.78
&rst
ixpk= 0, nxpk= 0, iat=2284,2295, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 122 TRP H 122 TRP HB2 3.03
&rst
ixpk= 0, nxpk= 0, iat=2291,2295, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 122 TRP H 122 TRP HB3 3.19
&rst
ixpk= 0, nxpk= 0, iat=2291,2296, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 122 TRP H 122 TRP HD1 5.04
&rst
ixpk= 0, nxpk= 0, iat=2291,2299, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 122 TRP H 122 TRP HE3 5.05
&rst
ixpk= 0, nxpk= 0, iat=2291,2310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 122 TRP H 124 ASP HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat=2291,2340, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 122 TRP H 135 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=2291, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 122 TRP HA 122 TRP HD1 5.02
&rst
ixpk= 0, nxpk= 0, iat=2293,2299, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 122 TRP HA 122 TRP HE3 3.03
&rst
ixpk= 0, nxpk= 0, iat=2293,2310, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 122 TRP HA 122 TRP HZ3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2293,2308, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 122 TRP HB2 122 TRP HD1 3.60
&rst
ixpk= 0, nxpk= 0, iat=2295,2299, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 122 TRP HB2 122 TRP HE3 3.35
&rst
ixpk= 0, nxpk= 0, iat=2295,2310, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 122 TRP HB2 122 TRP HZ3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2295,2308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 TRP HB2 123 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2295, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2323,2331,
&end
#
# 122 TRP HB3 122 TRP HD1 3.07
&rst
ixpk= 0, nxpk= 0, iat=2296,2299, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 122 TRP HB3 123 PHE H 3.62
&rst
ixpk= 0, nxpk= 0, iat=2296,2315, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 122 TRP HB3 123 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2323,2331,
&end
#
# 122 TRP HB3 123 PHE QE 5.08
&rst
ixpk= 0, nxpk= 0, iat=2296, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=2325,2329,
&end
#
# 122 TRP HD1 123 PHE H 4.15
&rst
ixpk= 0, nxpk= 0, iat=2299,2315, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 122 TRP HD1 123 PHE HA 4.87
&rst
ixpk= 0, nxpk= 0, iat=2299,2317, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 122 TRP HD1 123 PHE HB3 5.17
&rst
ixpk= 0, nxpk= 0, iat=2299,2320, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 122 TRP HD1 123 PHE HZ 4.34
&rst
ixpk= 0, nxpk= 0, iat=2299,2327, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 122 TRP HD1 123 PHE QD 3.46
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=2323,2331,
&end
#
# 122 TRP HD1 123 PHE QE 3.63
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2325,2329,
&end
#
# 122 TRP HD1 126 LYS HG2 5.45
&rst
ixpk= 0, nxpk= 0, iat=2299,2361, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 122 TRP HD1 126 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=2299, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2367,2368,
&end
#
# 122 TRP HE1 123 PHE H 5.00
&rst
ixpk= 0, nxpk= 0, iat=2301,2315, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 122 TRP HE1 123 PHE QE 3.55
&rst
ixpk= 0, nxpk= 0, iat=2301, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=2325,2329,
&end
#
# 122 TRP HE1 126 LYS HD2 4.59
&rst
ixpk= 0, nxpk= 0, iat=2301,2364, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 122 TRP HE1 126 LYS HE2 4.77
&rst
ixpk= 0, nxpk= 0, iat=2301,2367, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 122 TRP HE1 126 LYS HE3 4.77
&rst
ixpk= 0, nxpk= 0, iat=2301,2368, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 122 TRP HE1 126 LYS QE 4.08
&rst
ixpk= 0, nxpk= 0, iat=2301, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2367,2368,
&end
#
# 122 TRP HE3 123 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2310,2315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 TRP HH2 126 LYS HE2 5.31
&rst
ixpk= 0, nxpk= 0, iat=2306,2367, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 122 TRP HH2 126 LYS HE3 5.31
&rst
ixpk= 0, nxpk= 0, iat=2306,2368, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 122 TRP HH2 126 LYS QE 4.58
&rst
ixpk= 0, nxpk= 0, iat=2306, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=2367,2368,
&end
#
# 122 TRP HZ2 123 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2323,2331,
&end
#
# 122 TRP HZ2 126 LYS HB2 5.70
&rst
ixpk= 0, nxpk= 0, iat=2304,2358, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 122 TRP HZ2 126 LYS HD2 5.20
&rst
ixpk= 0, nxpk= 0, iat=2304,2364, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 122 TRP HZ2 126 LYS HE2 4.34
&rst
ixpk= 0, nxpk= 0, iat=2304,2367, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 122 TRP HZ2 126 LYS HE3 4.34
&rst
ixpk= 0, nxpk= 0, iat=2304,2368, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 122 TRP HZ2 126 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2304,2361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 122 TRP HZ2 126 LYS QE 3.82
&rst
ixpk= 0, nxpk= 0, iat=2304, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=2367,2368,
&end
#
# 123 PHE H 123 PHE HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=2315,2320, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 123 PHE H 123 PHE QD 3.34
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2323,2331,
&end
#
# 123 PHE H 123 PHE QE 4.82
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=2325,2329,
&end
#
# 123 PHE H 124 ASP H 3.22
&rst
ixpk= 0, nxpk= 0, iat=2315,2335, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 123 PHE H 124 ASP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2315,2340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 PHE H 126 LYS HG2 4.96
&rst
ixpk= 0, nxpk= 0, iat=2315,2361, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 123 PHE H 135 VAL HB 5.05
&rst
ixpk= 0, nxpk= 0, iat=2315,2502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 123 PHE H 135 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2504,2505,2506,
&end
#
# 123 PHE H 135 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2508,2509,2510,
&end
#
# 123 PHE H 135 VAL QQG 4.55
&rst
ixpk= 0, nxpk= 0, iat=2315, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 123 PHE HA 123 PHE QD 3.22
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=2323,2331,
&end
#
# 123 PHE HA 124 ASP HA 4.94
&rst
ixpk= 0, nxpk= 0, iat=2317,2337, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 123 PHE HA 126 LYS H 4.82
&rst
ixpk= 0, nxpk= 0, iat=2317,2354, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 123 PHE HA 126 LYS HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat=2317,2358, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 123 PHE HA 126 LYS HB3 4.45
&rst
ixpk= 0, nxpk= 0, iat=2317,2359, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 123 PHE HA 126 LYS HD2 4.13
&rst
ixpk= 0, nxpk= 0, iat=2317,2364, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 123 PHE HA 126 LYS HD3 4.61
&rst
ixpk= 0, nxpk= 0, iat=2317,2365, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 123 PHE HA 126 LYS HG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=2317,2361, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 123 PHE HA 126 LYS HG3 3.73
&rst
ixpk= 0, nxpk= 0, iat=2317,2362, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 123 PHE HA 126 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2367,2368,
&end
#
# 123 PHE HA 133 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2317, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2470,2471,2472,
&end
#
# 123 PHE HB2 126 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2319,2362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 123 PHE HB2 133 ILE QD1 4.43
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=2470,2471,2472,
&end
#
# 123 PHE HB2 135 VAL HB 5.03
&rst
ixpk= 0, nxpk= 0, iat=2319,2502, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 123 PHE HB2 135 VAL QG1 4.82
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2504,2505,2506,
&end
#
# 123 PHE HB2 135 VAL QG2 4.82
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=2508,2509,2510,
&end
#
# 123 PHE HB2 135 VAL QQG 3.97
&rst
ixpk= 0, nxpk= 0, iat=2319, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 123 PHE HB3 124 ASP H 4.10
&rst
ixpk= 0, nxpk= 0, iat=2320,2335, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 123 PHE HB3 124 ASP HA 5.01
&rst
ixpk= 0, nxpk= 0, iat=2320,2337, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 123 PHE HB3 126 LYS HG2 4.95
&rst
ixpk= 0, nxpk= 0, iat=2320,2361, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 123 PHE HB3 126 LYS HG3 4.97
&rst
ixpk= 0, nxpk= 0, iat=2320,2362, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 123 PHE HB3 133 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2470,2471,2472,
&end
#
# 123 PHE HB3 133 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2463,2464,2465,
&end
#
# 123 PHE HB3 135 VAL QQG 3.14
&rst
ixpk= 0, nxpk= 0, iat=2320, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 123 PHE QD 123 PHE HZ 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2327, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=2323,2331,
&end
#
# 123 PHE QD 124 ASP H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2335, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2354, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HB2 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,2358, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HB3 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2359, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,2364, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HD3 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HE2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2367, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HE3 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2368, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2361, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS HG3 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2362, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=2323,2331,
&end
#
# 123 PHE QD 126 LYS QE 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=2323,2331,
igr2=2367,2368,
&end
#
# 123 PHE QD 133 ILE QD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=2323,2331,
igr2=2470,2471,2472,
&end
#
# 123 PHE QD 135 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2502, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2323,2331,
&end
#
# 123 PHE QD 135 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=2323,2331,
igr2=2504,2505,2506,
&end
#
# 123 PHE QD 135 VAL QG2 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=2323,2331,
igr2=2508,2509,2510,
&end
#
# 123 PHE QD 135 VAL QQG 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=2323,2331,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 123 PHE QE 126 LYS HD3 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2365, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2325,2329,
&end
#
# 123 PHE QE 126 LYS QE 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=2325,2329,
igr2=2367,2368,
&end
#
# 123 PHE QE 135 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=2325,2329,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 124 ASP H 124 ASP HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=2335,2339, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 124 ASP H 124 ASP HB3 3.11
&rst
ixpk= 0, nxpk= 0, iat=2335,2340, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 124 ASP H 125 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat=2335,2347, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 124 ASP H 126 LYS HG2 5.20
&rst
ixpk= 0, nxpk= 0, iat=2335,2361, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 124 ASP H 133 ILE QD1 4.56
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2470,2471,2472,
&end
#
# 124 ASP H 134 LYS HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=2335,2478, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 124 ASP H 135 VAL H 4.25
&rst
ixpk= 0, nxpk= 0, iat=2335,2498, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 124 ASP H 135 VAL HB 3.81
&rst
ixpk= 0, nxpk= 0, iat=2335,2502, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 124 ASP H 135 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2504,2505,2506,
&end
#
# 124 ASP H 135 VAL QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2508,2509,2510,
&end
#
# 124 ASP H 135 VAL QQG 3.29
&rst
ixpk= 0, nxpk= 0, iat=2335, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 124 ASP HA 125 GLY H 3.11
&rst
ixpk= 0, nxpk= 0, iat=2337,2347, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 124 ASP HA 125 GLY HA2 5.13
&rst
ixpk= 0, nxpk= 0, iat=2337,2349, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 124 ASP HA 125 GLY HA3 4.70
&rst
ixpk= 0, nxpk= 0, iat=2337,2350, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 124 ASP HA 126 LYS HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2337,2362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ASP HA 133 ILE HG13 5.50
&rst
ixpk= 0, nxpk= 0, iat=2337,2468, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ASP HA 133 ILE QD1 3.94
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=2470,2471,2472,
&end
#
# 124 ASP HA 134 LYS HA 4.20
&rst
ixpk= 0, nxpk= 0, iat=2337,2478, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 124 ASP HA 134 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2337,2480, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ASP HA 134 LYS HB3 4.78
&rst
ixpk= 0, nxpk= 0, iat=2337,2481, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 124 ASP HA 134 LYS HG2 4.31
&rst
ixpk= 0, nxpk= 0, iat=2337,2483, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 124 ASP HA 134 LYS QD 5.30
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2486,2487,
&end
#
# 124 ASP HA 135 VAL H 3.60
&rst
ixpk= 0, nxpk= 0, iat=2337,2498, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 124 ASP HA 135 VAL HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=2337,2500, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 124 ASP HA 135 VAL HB 3.74
&rst
ixpk= 0, nxpk= 0, iat=2337,2502, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 124 ASP HA 135 VAL QQG 3.16
&rst
ixpk= 0, nxpk= 0, iat=2337, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 124 ASP HB2 125 GLY H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2339,2347, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 124 ASP HB2 134 LYS HA 4.89
&rst
ixpk= 0, nxpk= 0, iat=2339,2478, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 124 ASP HB2 134 LYS QD 4.97
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=2486,2487,
&end
#
# 124 ASP HB2 135 VAL H 4.43
&rst
ixpk= 0, nxpk= 0, iat=2339,2498, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 124 ASP HB2 135 VAL HB 4.16
&rst
ixpk= 0, nxpk= 0, iat=2339,2502, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 124 ASP HB2 135 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2504,2505,2506,
&end
#
# 124 ASP HB2 135 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2508,2509,2510,
&end
#
# 124 ASP HB2 135 VAL QQG 4.10
&rst
ixpk= 0, nxpk= 0, iat=2339, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 124 ASP HB3 125 GLY H 4.75
&rst
ixpk= 0, nxpk= 0, iat=2340,2347, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 124 ASP HB3 134 LYS HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2340,2478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 124 ASP HB3 135 VAL H 4.42
&rst
ixpk= 0, nxpk= 0, iat=2340,2498, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 124 ASP HB3 135 VAL HB 4.26
&rst
ixpk= 0, nxpk= 0, iat=2340,2502, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 124 ASP HB3 135 VAL QG1 5.20
&rst
ixpk= 0, nxpk= 0, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=2504,2505,2506,
&end
#
# 124 ASP HB3 135 VAL QG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=2340, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=2508,2509,2510,
&end
#
# 125 GLY H 126 LYS H 3.29
&rst
ixpk= 0, nxpk= 0, iat=2347,2354, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 125 GLY H 133 ILE H 4.69
&rst
ixpk= 0, nxpk= 0, iat=2347,2457, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 125 GLY H 133 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2347,2459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLY H 133 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2347,2461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLY H 133 ILE HG13 5.18
&rst
ixpk= 0, nxpk= 0, iat=2347,2468, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 125 GLY H 133 ILE QD1 4.78
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2470,2471,2472,
&end
#
# 125 GLY H 134 LYS H 5.20
&rst
ixpk= 0, nxpk= 0, iat=2347,2476, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 125 GLY H 134 LYS HA 3.75
&rst
ixpk= 0, nxpk= 0, iat=2347,2478, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 125 GLY H 134 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2347,2481, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 125 GLY H 134 LYS HG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=2347,2483, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 125 GLY H 134 LYS HG3 5.28
&rst
ixpk= 0, nxpk= 0, iat=2347,2484, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 125 GLY H 134 LYS QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2486,2487,
&end
#
# 125 GLY H 135 VAL H 4.36
&rst
ixpk= 0, nxpk= 0, iat=2347,2498, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 125 GLY H 135 VAL QQG 4.35
&rst
ixpk= 0, nxpk= 0, iat=2347, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 125 GLY HA2 126 LYS HA 4.90
&rst
ixpk= 0, nxpk= 0, iat=2349,2356, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 125 GLY HA2 133 ILE H 5.13
&rst
ixpk= 0, nxpk= 0, iat=2349,2457, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 125 GLY HA2 134 LYS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=2349,2478, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 125 GLY HA2 134 LYS HG2 5.12
&rst
ixpk= 0, nxpk= 0, iat=2349,2483, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 125 GLY HA3 126 LYS HA 5.01
&rst
ixpk= 0, nxpk= 0, iat=2350,2356, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 125 GLY HA3 134 LYS HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2350,2483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 LYS H 126 LYS HB2 3.73
&rst
ixpk= 0, nxpk= 0, iat=2354,2358, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 126 LYS H 126 LYS HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat=2354,2359, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 126 LYS H 126 LYS HD2 5.14
&rst
ixpk= 0, nxpk= 0, iat=2354,2364, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 126 LYS H 126 LYS HD3 5.04
&rst
ixpk= 0, nxpk= 0, iat=2354,2365, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 126 LYS H 126 LYS HG2 3.76
&rst
ixpk= 0, nxpk= 0, iat=2354,2361, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 126 LYS H 126 LYS HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat=2354,2362, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 126 LYS H 126 LYS QE 4.34
&rst
ixpk= 0, nxpk= 0, iat=2354, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=2367,2368,
&end
#
# 126 LYS H 127 GLU H 4.55
&rst
ixpk= 0, nxpk= 0, iat=2354,2376, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 126 LYS H 133 ILE H 5.13
&rst
ixpk= 0, nxpk= 0, iat=2354,2457, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 126 LYS H 133 ILE HG13 4.96
&rst
ixpk= 0, nxpk= 0, iat=2354,2468, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 126 LYS H 133 ILE QD1 5.14
&rst
ixpk= 0, nxpk= 0, iat=2354, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2470,2471,2472,
&end
#
# 126 LYS HA 126 LYS HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat=2356,2365, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 126 LYS HA 126 LYS HG2 4.11
&rst
ixpk= 0, nxpk= 0, iat=2356,2361, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 126 LYS HA 126 LYS HG3 3.64
&rst
ixpk= 0, nxpk= 0, iat=2356,2362, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 126 LYS HA 126 LYS QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=2356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2367,2368,
&end
#
# 126 LYS HA 127 GLU H 3.16
&rst
ixpk= 0, nxpk= 0, iat=2356,2376, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 126 LYS HA 127 GLU HA 4.44
&rst
ixpk= 0, nxpk= 0, iat=2356,2378, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 126 LYS HA 132 PRO HA 5.01
&rst
ixpk= 0, nxpk= 0, iat=2356,2453, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 126 LYS HA 132 PRO HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2356,2451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 LYS HB2 126 LYS HD2 4.02
&rst
ixpk= 0, nxpk= 0, iat=2358,2364, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 126 LYS HB2 126 LYS HD3 3.87
&rst
ixpk= 0, nxpk= 0, iat=2358,2365, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 126 LYS HB2 126 LYS HE2 4.32
&rst
ixpk= 0, nxpk= 0, iat=2358,2367, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 126 LYS HB2 126 LYS HE3 4.32
&rst
ixpk= 0, nxpk= 0, iat=2358,2368, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 126 LYS HB2 126 LYS QE 3.50
&rst
ixpk= 0, nxpk= 0, iat=2358, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2367,2368,
&end
#
# 126 LYS HB2 127 GLU H 2.93
&rst
ixpk= 0, nxpk= 0, iat=2358,2376, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 126 LYS HB2 127 GLU HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=2358,2378, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 126 LYS HB2 127 GLU HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat=2358,2381, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 LYS HB3 126 LYS HD2 3.97
&rst
ixpk= 0, nxpk= 0, iat=2359,2364, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 126 LYS HB3 126 LYS HD3 4.02
&rst
ixpk= 0, nxpk= 0, iat=2359,2365, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 126 LYS HB3 126 LYS HE2 4.26
&rst
ixpk= 0, nxpk= 0, iat=2359,2367, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 126 LYS HB3 126 LYS HE3 4.26
&rst
ixpk= 0, nxpk= 0, iat=2359,2368, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 126 LYS HB3 126 LYS QE 3.40
&rst
ixpk= 0, nxpk= 0, iat=2359, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2367,2368,
&end
#
# 126 LYS HB3 127 GLU H 4.06
&rst
ixpk= 0, nxpk= 0, iat=2359,2376, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 126 LYS HB3 133 ILE QD1 5.48
&rst
ixpk= 0, nxpk= 0, iat=2359, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=2470,2471,2472,
&end
#
# 126 LYS HD2 127 GLU H 4.07
&rst
ixpk= 0, nxpk= 0, iat=2364,2376, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 126 LYS HD2 128 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2364,2393, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 126 LYS HD3 127 GLU H 3.67
&rst
ixpk= 0, nxpk= 0, iat=2365,2376, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 126 LYS HD3 127 GLU HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=2365,2378, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 126 LYS HD3 128 PHE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat=2365,2393, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 126 LYS HE2 127 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2367,2376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 LYS HE3 127 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2368,2376, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 126 LYS HG2 126 LYS HE2 3.66
&rst
ixpk= 0, nxpk= 0, iat=2361,2367, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 126 LYS HG2 126 LYS HE3 3.66
&rst
ixpk= 0, nxpk= 0, iat=2361,2368, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 126 LYS HG2 126 LYS QE 2.80
&rst
ixpk= 0, nxpk= 0, iat=2361, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2367,2368,
&end
#
# 126 LYS HG2 127 GLU H 4.14
&rst
ixpk= 0, nxpk= 0, iat=2361,2376, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 126 LYS HG3 126 LYS HD3 2.99
&rst
ixpk= 0, nxpk= 0, iat=2362,2365, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 126 LYS HG3 126 LYS QE 3.48
&rst
ixpk= 0, nxpk= 0, iat=2362, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=2367,2368,
&end
#
# 126 LYS HG3 127 GLU H 4.12
&rst
ixpk= 0, nxpk= 0, iat=2362,2376, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 126 LYS HG3 127 GLU HA 5.23
&rst
ixpk= 0, nxpk= 0, iat=2362,2378, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 126 LYS QE 127 GLU H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,2376, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=2367,2368,
&end
#
# 126 LYS QE 127 GLU QG 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=2367,2368,
igr2=2383,2384,
&end
#
# 127 GLU H 127 GLU HB2 3.79
&rst
ixpk= 0, nxpk= 0, iat=2376,2380, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 127 GLU H 127 GLU HB3 3.05
&rst
ixpk= 0, nxpk= 0, iat=2376,2381, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 127 GLU H 127 GLU QG 3.04
&rst
ixpk= 0, nxpk= 0, iat=2376, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=2383,2384,
&end
#
# 127 GLU H 128 PHE H 4.46
&rst
ixpk= 0, nxpk= 0, iat=2376,2391, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 127 GLU HA 127 GLU HG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=2378,2383, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 127 GLU HA 127 GLU HG3 4.14
&rst
ixpk= 0, nxpk= 0, iat=2378,2384, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 127 GLU HA 127 GLU QG 3.41
&rst
ixpk= 0, nxpk= 0, iat=2378, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=2383,2384,
&end
#
# 127 GLU HA 128 PHE H 3.31
&rst
ixpk= 0, nxpk= 0, iat=2378,2391, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 127 GLU HA 132 PRO HB3 5.09
&rst
ixpk= 0, nxpk= 0, iat=2378,2451, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 127 GLU HA 133 ILE H 3.81
&rst
ixpk= 0, nxpk= 0, iat=2378,2457, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 127 GLU HB2 128 PHE H 3.70
&rst
ixpk= 0, nxpk= 0, iat=2380,2391, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 127 GLU HB2 128 PHE HA 4.96
&rst
ixpk= 0, nxpk= 0, iat=2380,2393, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 127 GLU HB2 130 GLY H 3.82
&rst
ixpk= 0, nxpk= 0, iat=2380,2422, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 127 GLU HB2 130 GLY HA2 4.58
&rst
ixpk= 0, nxpk= 0, iat=2380,2424, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 127 GLU HB2 130 GLY HA3 5.12
&rst
ixpk= 0, nxpk= 0, iat=2380,2425, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 127 GLU HB3 128 PHE H 3.83
&rst
ixpk= 0, nxpk= 0, iat=2381,2391, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 127 GLU HB3 130 GLY H 4.99
&rst
ixpk= 0, nxpk= 0, iat=2381,2422, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 127 GLU HB3 130 GLY HA2 5.12
&rst
ixpk= 0, nxpk= 0, iat=2381,2424, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 127 GLU HB3 132 PRO HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=2381,2453, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 127 GLU HB3 133 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2463,2464,2465,
&end
#
# 127 GLU HG2 128 PHE H 3.93
&rst
ixpk= 0, nxpk= 0, iat=2383,2391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 127 GLU HG2 133 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2383, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2463,2464,2465,
&end
#
# 127 GLU HG3 128 PHE H 3.93
&rst
ixpk= 0, nxpk= 0, iat=2384,2391, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 127 GLU HG3 133 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2384, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2463,2464,2465,
&end
#
# 127 GLU QG 128 PHE HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2393, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=2383,2384,
&end
#
# 127 GLU QG 129 SER H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2411, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2383,2384,
&end
#
# 127 GLU QG 129 SER HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=2383,2384,
&end
#
# 127 GLU QG 130 GLY H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,2422, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2383,2384,
&end
#
# 127 GLU QG 130 GLY HA3 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2425, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2383,2384,
&end
#
# 128 PHE H 128 PHE HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=2391,2395, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 128 PHE H 128 PHE HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat=2391,2396, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 128 PHE H 128 PHE QD 4.40
&rst
ixpk= 0, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2399,2407,
&end
#
# 128 PHE H 130 GLY H 3.92
&rst
ixpk= 0, nxpk= 0, iat=2391,2422, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 128 PHE H 132 PRO HA 4.43
&rst
ixpk= 0, nxpk= 0, iat=2391,2453, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 128 PHE H 133 ILE H 4.96
&rst
ixpk= 0, nxpk= 0, iat=2391,2457, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 128 PHE H 133 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2470,2471,2472,
&end
#
# 128 PHE H 133 ILE QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=2391, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2463,2464,2465,
&end
#
# 128 PHE HA 128 PHE QD 3.25
&rst
ixpk= 0, nxpk= 0, iat=2393, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=2399,2407,
&end
#
# 128 PHE HA 128 PHE QE 4.69
&rst
ixpk= 0, nxpk= 0, iat=2393, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2401,2405,
&end
#
# 128 PHE HA 129 SER HA 4.71
&rst
ixpk= 0, nxpk= 0, iat=2393,2413, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 128 PHE HA 129 SER HB2 5.09
&rst
ixpk= 0, nxpk= 0, iat=2393,2415, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 128 PHE HA 130 GLY H 4.90
&rst
ixpk= 0, nxpk= 0, iat=2393,2422, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 128 PHE HA 133 ILE QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=2393, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=2463,2464,2465,
&end
#
# 128 PHE HB2 129 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2395,2415, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 PHE HB2 133 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2395,2459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 128 PHE HB2 133 ILE HG12 3.92
&rst
ixpk= 0, nxpk= 0, iat=2395,2467, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 128 PHE HB2 133 ILE QD1 3.92
&rst
ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2470,2471,2472,
&end
#
# 128 PHE HB2 133 ILE QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat=2395, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2463,2464,2465,
&end
#
# 128 PHE HB3 129 SER H 5.20
&rst
ixpk= 0, nxpk= 0, iat=2396,2411, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 128 PHE HB3 129 SER HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat=2396,2415, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 128 PHE HB3 130 GLY H 5.40
&rst
ixpk= 0, nxpk= 0, iat=2396,2422, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 128 PHE HB3 133 ILE QG2 3.16
&rst
ixpk= 0, nxpk= 0, iat=2396, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2463,2464,2465,
&end
#
# 128 PHE QD 128 PHE HZ 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2403, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=2399,2407,
&end
#
# 128 PHE QD 129 SER HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=2399,2407,
&end
#
# 128 PHE QD 129 SER HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=2399,2407,
&end
#
# 128 PHE QD 129 SER HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2416, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=2399,2407,
&end
#
# 128 PHE QD 133 ILE QD1 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=2399,2407,
igr2=2470,2471,2472,
&end
#
# 128 PHE QD 133 ILE QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=2399,2407,
igr2=2463,2464,2465,
&end
#
# 128 PHE QD 135 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1=2399,2407,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 128 PHE QE 129 SER HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2413, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=2401,2405,
&end
#
# 128 PHE QE 129 SER HB2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2415, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=2401,2405,
&end
#
# 129 SER H 130 GLY H 4.33
&rst
ixpk= 0, nxpk= 0, iat=2411,2422, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 129 SER HA 129 SER HB2 2.88
&rst
ixpk= 0, nxpk= 0, iat=2413,2415, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 129 SER HA 130 GLY H 3.47
&rst
ixpk= 0, nxpk= 0, iat=2413,2422, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 129 SER HA 130 GLY HA2 4.77
&rst
ixpk= 0, nxpk= 0, iat=2413,2424, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 129 SER HA 130 GLY HA3 4.82
&rst
ixpk= 0, nxpk= 0, iat=2413,2425, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 129 SER HB2 130 GLY H 4.53
&rst
ixpk= 0, nxpk= 0, iat=2415,2422, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 129 SER HB2 130 GLY HA3 5.90
&rst
ixpk= 0, nxpk= 0, iat=2415,2425, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 129 SER HB2 133 ILE QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat=2415, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2463,2464,2465,
&end
#
# 129 SER HB3 130 GLY H 3.92
&rst
ixpk= 0, nxpk= 0, iat=2416,2422, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 129 SER HB3 130 GLY HA3 4.58
&rst
ixpk= 0, nxpk= 0, iat=2416,2425, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 132 PRO HA 133 ILE H 3.45
&rst
ixpk= 0, nxpk= 0, iat=2453,2457, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 132 PRO HA 133 ILE QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=2453, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2463,2464,2465,
&end
#
# 132 PRO HB2 133 ILE H 3.81
&rst
ixpk= 0, nxpk= 0, iat=2450,2457, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 132 PRO HB2 133 ILE QG2 4.89
&rst
ixpk= 0, nxpk= 0, iat=2450, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2463,2464,2465,
&end
#
# 132 PRO HB3 133 ILE H 4.07
&rst
ixpk= 0, nxpk= 0, iat=2451,2457, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 132 PRO HG2 133 ILE H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2447,2457, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 132 PRO HG2 133 ILE HA 5.07
&rst
ixpk= 0, nxpk= 0, iat=2447,2459, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 132 PRO HG3 133 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2448,2457, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 133 ILE H 133 ILE HB 4.06
&rst
ixpk= 0, nxpk= 0, iat=2457,2461, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 133 ILE H 133 ILE HG12 3.82
&rst
ixpk= 0, nxpk= 0, iat=2457,2467, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 133 ILE H 133 ILE HG13 3.56
&rst
ixpk= 0, nxpk= 0, iat=2457,2468, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 133 ILE H 133 ILE QD1 4.02
&rst
ixpk= 0, nxpk= 0, iat=2457, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2470,2471,2472,
&end
#
# 133 ILE H 133 ILE QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat=2457, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=2463,2464,2465,
&end
#
# 133 ILE HA 133 ILE HG13 3.92
&rst
ixpk= 0, nxpk= 0, iat=2459,2468, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 133 ILE HA 133 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2470,2471,2472,
&end
#
# 133 ILE HA 133 ILE QG2 2.90
&rst
ixpk= 0, nxpk= 0, iat=2459, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=2463,2464,2465,
&end
#
# 133 ILE HA 134 LYS H 3.04
&rst
ixpk= 0, nxpk= 0, iat=2459,2476, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 133 ILE HB 133 ILE QD1 3.13
&rst
ixpk= 0, nxpk= 0, iat=2461, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=2470,2471,2472,
&end
#
# 133 ILE HB 134 LYS H 3.27
&rst
ixpk= 0, nxpk= 0, iat=2461,2476, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 133 ILE HB 135 VAL QQG 4.19
&rst
ixpk= 0, nxpk= 0, iat=2461, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 133 ILE HG13 135 VAL QQG 4.22
&rst
ixpk= 0, nxpk= 0, iat=2468, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 133 ILE QD1 134 LYS H 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2476, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2470,2471,2472,
&end
#
# 133 ILE QD1 135 VAL HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2500, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=2470,2471,2472,
&end
#
# 133 ILE QD1 135 VAL QQG 2.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=2470,2471,2472,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 133 ILE QG2 133 ILE HG12 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1,2467, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=2463,2464,2465,
&end
#
# 133 ILE QG2 133 ILE HG13 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2468, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=2463,2464,2465,
&end
#
# 133 ILE QG2 134 LYS H 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,2476, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2463,2464,2465,
&end
#
# 134 LYS H 134 LYS HB2 3.50
&rst
ixpk= 0, nxpk= 0, iat=2476,2480, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 134 LYS H 134 LYS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat=2476,2481, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 134 LYS H 134 LYS HG2 4.70
&rst
ixpk= 0, nxpk= 0, iat=2476,2483, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 134 LYS H 134 LYS HG3 4.00
&rst
ixpk= 0, nxpk= 0, iat=2476,2484, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 134 LYS H 135 VAL H 4.49
&rst
ixpk= 0, nxpk= 0, iat=2476,2498, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 134 LYS H 135 VAL QQG 4.71
&rst
ixpk= 0, nxpk= 0, iat=2476, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 134 LYS HA 134 LYS HG2 3.34
&rst
ixpk= 0, nxpk= 0, iat=2478,2483, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 134 LYS HA 134 LYS HG3 3.45
&rst
ixpk= 0, nxpk= 0, iat=2478,2484, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 134 LYS HA 134 LYS QD 3.89
&rst
ixpk= 0, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2486,2487,
&end
#
# 134 LYS HA 134 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2489,2490,
&end
#
# 134 LYS HA 135 VAL H 2.95
&rst
ixpk= 0, nxpk= 0, iat=2478,2498, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 134 LYS HA 135 VAL HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=2478,2500, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 134 LYS HA 135 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2478,2502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LYS HA 135 VAL QQG 3.78
&rst
ixpk= 0, nxpk= 0, iat=2478, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 134 LYS HB2 134 LYS HG3 2.76
&rst
ixpk= 0, nxpk= 0, iat=2480,2484, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 134 LYS HB2 134 LYS QD 3.97
&rst
ixpk= 0, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=2486,2487,
&end
#
# 134 LYS HB2 134 LYS QE 4.16
&rst
ixpk= 0, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2489,2490,
&end
#
# 134 LYS HB2 135 VAL H 4.06
&rst
ixpk= 0, nxpk= 0, iat=2480,2498, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 134 LYS HB2 135 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2480,2500, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 134 LYS HB2 135 VAL QQG 5.11
&rst
ixpk= 0, nxpk= 0, iat=2480, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 134 LYS HB3 134 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat=2481, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2489,2490,
&end
#
# 134 LYS HB3 135 VAL H 4.08
&rst
ixpk= 0, nxpk= 0, iat=2481,2498, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 134 LYS HB3 135 VAL HA 5.42
&rst
ixpk= 0, nxpk= 0, iat=2481,2500, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 134 LYS HG2 134 LYS QD 2.77
&rst
ixpk= 0, nxpk= 0, iat=2483, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=2486,2487,
&end
#
# 134 LYS HG2 134 LYS QE 3.36
&rst
ixpk= 0, nxpk= 0, iat=2483, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=2489,2490,
&end
#
# 134 LYS HG2 135 VAL H 3.82
&rst
ixpk= 0, nxpk= 0, iat=2483,2498, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 134 LYS HG3 134 LYS QD 2.51
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,
igr2=2486,2487,
&end
#
# 134 LYS HG3 134 LYS QE 3.21
&rst
ixpk= 0, nxpk= 0, iat=2484, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2489,2490,
&end
#
# 134 LYS HG3 135 VAL H 4.92
&rst
ixpk= 0, nxpk= 0, iat=2484,2498, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 134 LYS QD 134 LYS QE 2.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
igr1=2486,2487,
igr2=2489,2490,
&end
#
# 134 LYS QD 135 VAL H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2498, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=2486,2487,
&end
#
# 134 LYS QE 135 VAL H 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2498, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=2489,2490,
&end
#
# 135 VAL H 135 VAL HB 3.84
&rst
ixpk= 0, nxpk= 0, iat=2498,2502, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 135 VAL H 135 VAL QG1 4.09
&rst
ixpk= 0, nxpk= 0, iat=2498, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2504,2505,2506,
&end
#
# 135 VAL H 135 VAL QG2 4.09
&rst
ixpk= 0, nxpk= 0, iat=2498, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=2508,2509,2510,
&end
#
# 135 VAL H 135 VAL QQG 3.08
&rst
ixpk= 0, nxpk= 0, iat=2498, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 135 VAL H 136 SER H 4.42
&rst
ixpk= 0, nxpk= 0, iat=2498,2514, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 135 VAL HA 135 VAL QG1 3.58
&rst
ixpk= 0, nxpk= 0, iat=2500, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2504,2505,2506,
&end
#
# 135 VAL HA 135 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat=2500, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2508,2509,2510,
&end
#
# 135 VAL HA 135 VAL QQG 3.02
&rst
ixpk= 0, nxpk= 0, iat=2500, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2504,2505,2506,2508,2509,2510,
&end
#
# 135 VAL HA 136 SER H 2.94
&rst
ixpk= 0, nxpk= 0, iat=2500,2514, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 135 VAL HA 136 SER HB2 5.28
&rst
ixpk= 0, nxpk= 0, iat=2500,2518, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 135 VAL HA 136 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2500,2519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 135 VAL HB 136 SER H 4.38
&rst
ixpk= 0, nxpk= 0, iat=2502,2514, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 135 VAL QG1 136 SER H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2504,2505,2506,
&end
#
# 135 VAL QG2 136 SER H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=2508,2509,2510,
&end
#
# 135 VAL QQG 136 SER H 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2514, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=2504,2505,2506,2508,2509,2510,
&end
#
# 136 SER H 136 SER HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat=2514,2518, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 136 SER H 136 SER HB3 4.10
&rst
ixpk= 0, nxpk= 0, iat=2514,2519, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 136 SER HA 137 PHE H 3.55
&rst
ixpk= 0, nxpk= 0, iat=2516,2525, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 136 SER HA 137 PHE HA 4.53
&rst
ixpk= 0, nxpk= 0, iat=2516,2527, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 136 SER HB2 137 PHE H 3.47
&rst
ixpk= 0, nxpk= 0, iat=2518,2525, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 136 SER HB2 137 PHE HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat=2518,2529, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 136 SER HB3 137 PHE H 3.23
&rst
ixpk= 0, nxpk= 0, iat=2519,2525, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 136 SER HB3 137 PHE HB2 4.87
&rst
ixpk= 0, nxpk= 0, iat=2519,2529, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 137 PHE H 137 PHE HB2 3.54
&rst
ixpk= 0, nxpk= 0, iat=2525,2529, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 137 PHE H 137 PHE HB3 3.79
&rst
ixpk= 0, nxpk= 0, iat=2525,2530, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 137 PHE H 137 PHE QD 3.50
&rst
ixpk= 0, nxpk= 0, iat=2525, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2533,2541,
&end
#
# 137 PHE H 138 ALA H 4.62
&rst
ixpk= 0, nxpk= 0, iat=2525,2545, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 137 PHE H 138 ALA QB 5.80
&rst
ixpk= 0, nxpk= 0, iat=2525, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2549,2550,2551,
&end
#
# 137 PHE HA 137 PHE QD 4.59
&rst
ixpk= 0, nxpk= 0, iat=2527, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2533,2541,
&end
#
# 137 PHE HA 138 ALA QB 4.66
&rst
ixpk= 0, nxpk= 0, iat=2527, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=2549,2550,2551,
&end
#
# 137 PHE HB2 138 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2529,2545, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 137 PHE HB2 138 ALA QB 5.80
&rst
ixpk= 0, nxpk= 0, iat=2529, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=2549,2550,2551,
&end
#
# 137 PHE HB3 138 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat=2530, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2549,2550,2551,
&end
#
# 137 PHE QD 138 ALA H 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2545, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=2533,2541,
&end
#
# 138 ALA H 138 ALA QB 3.05
&rst
ixpk= 0, nxpk= 0, iat=2545, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=2549,2550,2551,
&end
#
# 138 ALA H 139 THR H 4.38
&rst
ixpk= 0, nxpk= 0, iat=2545,2555, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 138 ALA H 139 THR HA 5.29
&rst
ixpk= 0, nxpk= 0, iat=2545,2557, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 138 ALA H 139 THR HB 5.95
&rst
ixpk= 0, nxpk= 0, iat=2545,2559, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 138 ALA HA 139 THR H 3.46
&rst
ixpk= 0, nxpk= 0, iat=2547,2555, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 138 ALA HA 139 THR HA 5.37
&rst
ixpk= 0, nxpk= 0, iat=2547,2557, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 138 ALA HA 139 THR HB 5.07
&rst
ixpk= 0, nxpk= 0, iat=2547,2559, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 138 ALA QB 139 THR H 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1,2555, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=2549,2550,2551,
&end
#
# 138 ALA QB 139 THR HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,2557, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=2549,2550,2551,
&end
#
# 138 ALA QB 139 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2549,2550,2551,
&end
#
# 138 ALA QB 140 ARG H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=2549,2550,2551,
&end
#
# 139 THR H 139 THR HB 3.62
&rst
ixpk= 0, nxpk= 0, iat=2555,2559, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 139 THR H 139 THR QG2 4.11
&rst
ixpk= 0, nxpk= 0, iat=2555, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2561,2562,2563,
&end
#
# 139 THR H 140 ARG H 4.30
&rst
ixpk= 0, nxpk= 0, iat=2555,2569, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 139 THR H 140 ARG QG 6.00
&rst
ixpk= 0, nxpk= 0, iat=2555, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2576,2577,
&end
#
# 139 THR HA 139 THR QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat=2557, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2561,2562,2563,
&end
#
# 139 THR HA 140 ARG H 2.77
&rst
ixpk= 0, nxpk= 0, iat=2557,2569, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 139 THR HA 140 ARG HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=2557,2571, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 139 THR HA 140 ARG HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2557,2573, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 139 THR HA 140 ARG HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat=2557,2574, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 139 THR HA 140 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=2557, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2579,2580,
&end
#
# 139 THR HA 140 ARG QG 4.85
&rst
ixpk= 0, nxpk= 0, iat=2557, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2576,2577,
&end
#
# 139 THR HB 140 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2559, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2576,2577,
&end
#
# 139 THR HB 144 PHE HZ 5.27
&rst
ixpk= 0, nxpk= 0, iat=2559,2651, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 139 THR QG2 140 ARG H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,2569, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=2561,2562,2563,
&end
#
# 139 THR QG2 140 ARG HA 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,2571, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=2561,2562,2563,
&end
#
# 139 THR QG2 140 ARG HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,2573, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=2561,2562,2563,
&end
#
# 139 THR QG2 140 ARG HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=2561,2562,2563,
&end
#
# 139 THR QG2 140 ARG QD 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=2561,2562,2563,
igr2=2579,2580,
&end
#
# 139 THR QG2 140 ARG QG 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2561,2562,2563,
igr2=2576,2577,
&end
#
# 139 THR QG2 141 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2561,2562,2563,
&end
#
# 139 THR QG2 143 ASP QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=2561,2562,2563,
igr2=2631,2632,
&end
#
# 139 THR QG2 144 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2651, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2561,2562,2563,
&end
#
# 140 ARG H 140 ARG HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat=2569,2573, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 140 ARG H 140 ARG HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=2569,2574, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 140 ARG H 140 ARG QD 4.81
&rst
ixpk= 0, nxpk= 0, iat=2569, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=2579,2580,
&end
#
# 140 ARG H 140 ARG QG 3.34
&rst
ixpk= 0, nxpk= 0, iat=2569, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=2576,2577,
&end
#
# 140 ARG H 143 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2569, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2631,2632,
&end
#
# 140 ARG HA 140 ARG QD 4.63
&rst
ixpk= 0, nxpk= 0, iat=2571, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2579,2580,
&end
#
# 140 ARG HA 140 ARG QG 3.45
&rst
ixpk= 0, nxpk= 0, iat=2571, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=2576,2577,
&end
#
# 140 ARG HA 141 ARG H 3.35
&rst
ixpk= 0, nxpk= 0, iat=2571,2593, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 140 ARG HA 141 ARG HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2571,2595, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 140 ARG HA 141 ARG HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2571,2598, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 140 ARG HA 142 ALA H 4.60
&rst
ixpk= 0, nxpk= 0, iat=2571,2617, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 140 ARG HA 142 ALA QB 4.60
&rst
ixpk= 0, nxpk= 0, iat=2571, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2621,2622,2623,
&end
#
# 140 ARG HA 143 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat=2571,2627, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 140 ARG HB2 140 ARG HE 4.76
&rst
ixpk= 0, nxpk= 0, iat=2573,2582, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 140 ARG HB2 140 ARG QD 3.40
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2579,2580,
&end
#
# 140 ARG HB2 140 ARG QG 2.99
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=2576,2577,
&end
#
# 140 ARG HB2 142 ALA H 4.70
&rst
ixpk= 0, nxpk= 0, iat=2573,2617, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 140 ARG HB2 142 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2573, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2621,2622,2623,
&end
#
# 140 ARG HB2 143 ASP H 3.81
&rst
ixpk= 0, nxpk= 0, iat=2573,2627, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 140 ARG HB3 140 ARG HE 5.08
&rst
ixpk= 0, nxpk= 0, iat=2574,2582, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 140 ARG HB3 140 ARG QD 3.18
&rst
ixpk= 0, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=2579,2580,
&end
#
# 140 ARG HB3 142 ALA QB 5.21
&rst
ixpk= 0, nxpk= 0, iat=2574, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=2621,2622,2623,
&end
#
# 140 ARG HE 142 ALA QB 4.99
&rst
ixpk= 0, nxpk= 0, iat=2582, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2621,2622,2623,
&end
#
# 140 ARG QD 143 ASP H 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2579,2580,
&end
#
# 140 ARG QD 143 ASP QB 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=2579,2580,
igr2=2631,2632,
&end
#
# 140 ARG QG 140 ARG HE 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2582, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=2576,2577,
&end
#
# 140 ARG QG 140 ARG QD 2.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr1=2576,2577,
igr2=2579,2580,
&end
#
# 140 ARG QG 143 ASP H 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=2576,2577,
&end
#
# 141 ARG H 141 ARG HB2 3.31
&rst
ixpk= 0, nxpk= 0, iat=2593,2597, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 141 ARG H 141 ARG HB3 3.31
&rst
ixpk= 0, nxpk= 0, iat=2593,2598, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 141 ARG H 141 ARG QD 4.71
&rst
ixpk= 0, nxpk= 0, iat=2593, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2603,2604,
&end
#
# 141 ARG H 141 ARG QG 4.20
&rst
ixpk= 0, nxpk= 0, iat=2593, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2600,2601,
&end
#
# 141 ARG H 142 ALA H 3.52
&rst
ixpk= 0, nxpk= 0, iat=2593,2617, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 141 ARG HA 141 ARG HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat=2595,2597, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 141 ARG HA 141 ARG QD 3.90
&rst
ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2603,2604,
&end
#
# 141 ARG HA 141 ARG QG 2.96
&rst
ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr2=2600,2601,
&end
#
# 141 ARG HA 142 ALA H 3.52
&rst
ixpk= 0, nxpk= 0, iat=2595,2617, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 141 ARG HA 144 PHE H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2595,2639, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 141 ARG HA 144 PHE HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat=2595,2643, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 141 ARG HA 144 PHE QD 4.34
&rst
ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=2647,2655,
&end
#
# 141 ARG HA 144 PHE QE 4.61
&rst
ixpk= 0, nxpk= 0, iat=2595, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=2649,2653,
&end
#
# 141 ARG HB2 141 ARG QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2603,2604,
&end
#
# 141 ARG HB2 141 ARG QG 2.71
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=2600,2601,
&end
#
# 141 ARG HB2 142 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat=2597,2617, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 141 ARG HB2 142 ALA HA 5.80
&rst
ixpk= 0, nxpk= 0, iat=2597,2619, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 141 ARG HB2 144 PHE QD 5.25
&rst
ixpk= 0, nxpk= 0, iat=2597, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=2647,2655,
&end
#
# 141 ARG HB3 141 ARG QD 3.38
&rst
ixpk= 0, nxpk= 0, iat=2598, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=2603,2604,
&end
#
# 141 ARG HB3 142 ALA H 3.47
&rst
ixpk= 0, nxpk= 0, iat=2598,2617, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 141 ARG HB3 142 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat=2598,2619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 141 ARG HB3 142 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2598, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2621,2622,2623,
&end
#
# 141 ARG HB3 144 PHE QD 5.01
&rst
ixpk= 0, nxpk= 0, iat=2598, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=2647,2655,
&end
#
# 141 ARG QD 142 ALA H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=2603,2604,
&end
#
# 141 ARG QD 142 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2603,2604,
&end
#
# 141 ARG QD 142 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=2603,2604,
igr2=2621,2622,2623,
&end
#
# 141 ARG QD 143 ASP H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2603,2604,
&end
#
# 141 ARG QD 144 PHE QD 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2603,2604,
igr2=2647,2655,
&end
#
# 141 ARG QD 144 PHE QE 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1=2603,2604,
igr2=2649,2653,
&end
#
# 141 ARG QD 145 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2664, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2603,2604,
&end
#
# 141 ARG QG 141 ARG QD 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1=2600,2601,
igr2=2603,2604,
&end
#
# 141 ARG QG 142 ALA H 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2617, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2600,2601,
&end
#
# 141 ARG QG 142 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2619, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2600,2601,
&end
#
# 141 ARG QG 144 PHE H 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2600,2601,
&end
#
# 141 ARG QG 144 PHE QD 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2600,2601,
igr2=2647,2655,
&end
#
# 141 ARG QG 144 PHE QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=2600,2601,
igr2=2649,2653,
&end
#
# 142 ALA H 142 ALA QB 2.65
&rst
ixpk= 0, nxpk= 0, iat=2617, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=2621,2622,2623,
&end
#
# 142 ALA H 143 ASP H 3.26
&rst
ixpk= 0, nxpk= 0, iat=2617,2627, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 142 ALA H 143 ASP HA 5.33
&rst
ixpk= 0, nxpk= 0, iat=2617,2629, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 142 ALA H 144 PHE H 4.98
&rst
ixpk= 0, nxpk= 0, iat=2617,2639, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 142 ALA HA 143 ASP HA 4.75
&rst
ixpk= 0, nxpk= 0, iat=2619,2629, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 142 ALA HA 143 ASP QB 5.24
&rst
ixpk= 0, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=2631,2632,
&end
#
# 142 ALA HA 144 PHE H 4.73
&rst
ixpk= 0, nxpk= 0, iat=2619,2639, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 142 ALA HA 144 PHE QD 5.18
&rst
ixpk= 0, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=2647,2655,
&end
#
# 142 ALA HA 145 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2619,2659, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 142 ALA HA 145 ASN HB2 5.77
&rst
ixpk= 0, nxpk= 0, iat=2619,2663, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 142 ALA HA 145 ASN HB3 5.42
&rst
ixpk= 0, nxpk= 0, iat=2619,2664, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 142 ALA HA 145 ASN HD21 5.20
&rst
ixpk= 0, nxpk= 0, iat=2619,2669, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 142 ALA HA 146 ARG H 2.83
&rst
ixpk= 0, nxpk= 0, iat=2619,2673, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 142 ALA HA 147 GLY H 4.95
&rst
ixpk= 0, nxpk= 0, iat=2619,2697, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 142 ALA HA 147 GLY QA 5.80
&rst
ixpk= 0, nxpk= 0, iat=2619, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2699,2700,
&end
#
# 142 ALA QB 143 ASP H 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2627, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 143 ASP HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,2629, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 143 ASP QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=2621,2622,2623,
igr2=2631,2632,
&end
#
# 142 ALA QB 144 PHE H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 145 ASN H 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2659, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 145 ASN HD22 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2668, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 146 ARG H 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2673, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 146 ARG HA 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2675, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 146 ARG HB2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2677, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 146 ARG HB3 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,2678, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=2621,2622,2623,
&end
#
# 142 ALA QB 146 ARG QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2621,2622,2623,
igr2=2677,2678,
&end
#
# 142 ALA QB 146 ARG QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=2621,2622,2623,
igr2=2683,2684,
&end
#
# 142 ALA QB 146 ARG QG 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2621,2622,2623,
igr2=2680,2681,
&end
#
# 142 ALA QB 147 GLY QA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=2621,2622,2623,
igr2=2699,2700,
&end
#
# 142 ALA QB 148 GLY H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2704, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=2621,2622,2623,
&end
#
# 143 ASP H 143 ASP HA 2.91
&rst
ixpk= 0, nxpk= 0, iat=2627,2629, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 143 ASP H 143 ASP QB 2.79
&rst
ixpk= 0, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=2631,2632,
&end
#
# 143 ASP H 144 PHE H 3.05
&rst
ixpk= 0, nxpk= 0, iat=2627,2639, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 143 ASP H 144 PHE HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=2627,2641, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 143 ASP H 144 PHE HB2 5.46
&rst
ixpk= 0, nxpk= 0, iat=2627,2643, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 143 ASP H 144 PHE QD 4.62
&rst
ixpk= 0, nxpk= 0, iat=2627, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2647,2655,
&end
#
# 143 ASP H 148 GLY H 5.75
&rst
ixpk= 0, nxpk= 0, iat=2627,2704, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, &end
#
# 143 ASP HA 143 ASP QB 2.56
&rst
ixpk= 0, nxpk= 0, iat=2629, -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
igr2=2631,2632,
&end
#
# 143 ASP HA 144 PHE H 3.47
&rst
ixpk= 0, nxpk= 0, iat=2629,2639, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 143 ASP HA 144 PHE QD 5.20
&rst
ixpk= 0, nxpk= 0, iat=2629, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2647,2655,
&end
#
# 143 ASP HA 145 ASN H 5.22
&rst
ixpk= 0, nxpk= 0, iat=2629,2659, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 143 ASP QB 144 PHE H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2639, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=2631,2632,
&end
#
# 143 ASP QB 144 PHE HA 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2641, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2631,2632,
&end
#
# 143 ASP QB 144 PHE HB2 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,2643, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=2631,2632,
&end
#
# 143 ASP QB 144 PHE QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=2631,2632,
igr2=2647,2655,
&end
#
# 143 ASP QB 145 ASN H 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2659, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=2631,2632,
&end
#
# 144 PHE H 144 PHE HB2 3.24
&rst
ixpk= 0, nxpk= 0, iat=2639,2643, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 144 PHE H 144 PHE QE 4.69
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2649,2653,
&end
#
# 144 PHE H 145 ASN H 3.21
&rst
ixpk= 0, nxpk= 0, iat=2639,2659, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 144 PHE H 145 ASN HD21 4.15
&rst
ixpk= 0, nxpk= 0, iat=2639,2669, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 144 PHE H 146 ARG H 4.58
&rst
ixpk= 0, nxpk= 0, iat=2639,2673, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 144 PHE H 146 ARG QG 6.00
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2680,2681,
&end
#
# 144 PHE H 148 GLY QA 4.54
&rst
ixpk= 0, nxpk= 0, iat=2639, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2706,2707,
&end
#
# 144 PHE HA 144 PHE HB3 2.78
&rst
ixpk= 0, nxpk= 0, iat=2641,2644, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 144 PHE HA 144 PHE QD 3.31
&rst
ixpk= 0, nxpk= 0, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=2647,2655,
&end
#
# 144 PHE HA 144 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2641, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2649,2653,
&end
#
# 144 PHE HA 145 ASN H 3.38
&rst
ixpk= 0, nxpk= 0, iat=2641,2659, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 144 PHE HA 145 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2641,2664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 PHE HB2 145 ASN H 4.06
&rst
ixpk= 0, nxpk= 0, iat=2643,2659, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 144 PHE HB2 145 ASN HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat=2643,2664, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 144 PHE HB2 145 ASN HD21 4.78
&rst
ixpk= 0, nxpk= 0, iat=2643,2669, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 144 PHE HB3 145 ASN H 4.54
&rst
ixpk= 0, nxpk= 0, iat=2644,2659, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 144 PHE HB3 145 ASN HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2644,2661, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 PHE HB3 145 ASN HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=2644,2664, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 144 PHE QD 145 ASN H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2659, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=2647,2655,
&end
#
# 144 PHE QD 145 ASN HB3 5.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2664, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=2647,2655,
&end
#
# 144 PHE QD 145 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2647,2655,
&end
#
# 145 ASN H 145 ASN HB2 3.97
&rst
ixpk= 0, nxpk= 0, iat=2659,2663, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 145 ASN H 145 ASN HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat=2659,2664, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 145 ASN H 145 ASN HD21 4.25
&rst
ixpk= 0, nxpk= 0, iat=2659,2669, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 145 ASN H 145 ASN HD22 4.73
&rst
ixpk= 0, nxpk= 0, iat=2659,2668, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 145 ASN H 146 ARG H 3.12
&rst
ixpk= 0, nxpk= 0, iat=2659,2673, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 145 ASN H 146 ARG HA 5.18
&rst
ixpk= 0, nxpk= 0, iat=2659,2675, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 145 ASN H 147 GLY H 4.30
&rst
ixpk= 0, nxpk= 0, iat=2659,2697, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 145 ASN HA 145 ASN HD21 4.06
&rst
ixpk= 0, nxpk= 0, iat=2661,2669, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 145 ASN HA 145 ASN HD22 5.01
&rst
ixpk= 0, nxpk= 0, iat=2661,2668, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 145 ASN HA 146 ARG HA 4.85
&rst
ixpk= 0, nxpk= 0, iat=2661,2675, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 145 ASN HA 146 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2661, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2680,2681,
&end
#
# 145 ASN HA 147 GLY H 4.80
&rst
ixpk= 0, nxpk= 0, iat=2661,2697, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 145 ASN HB2 146 ARG H 3.81
&rst
ixpk= 0, nxpk= 0, iat=2663,2673, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 145 ASN HB2 146 ARG HA 5.48
&rst
ixpk= 0, nxpk= 0, iat=2663,2675, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 145 ASN HB2 146 ARG HB2 5.73
&rst
ixpk= 0, nxpk= 0, iat=2663,2677, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, &end
#
# 145 ASN HB2 146 ARG QB 5.43
&rst
ixpk= 0, nxpk= 0, iat=2663, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=2677,2678,
&end
#
# 145 ASN HB2 146 ARG QD 4.23
&rst
ixpk= 0, nxpk= 0, iat=2663, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=2683,2684,
&end
#
# 145 ASN HB2 146 ARG QG 4.69
&rst
ixpk= 0, nxpk= 0, iat=2663, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2680,2681,
&end
#
# 145 ASN HB2 147 GLY H 5.70
&rst
ixpk= 0, nxpk= 0, iat=2663,2697, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, &end
#
# 145 ASN HB3 145 ASN HD21 4.20
&rst
ixpk= 0, nxpk= 0, iat=2664,2669, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 145 ASN HB3 145 ASN HD22 4.20
&rst
ixpk= 0, nxpk= 0, iat=2664,2668, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 145 ASN HB3 146 ARG H 4.30
&rst
ixpk= 0, nxpk= 0, iat=2664,2673, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 145 ASN HB3 146 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2664,2675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 145 ASN HB3 146 ARG QD 5.90
&rst
ixpk= 0, nxpk= 0, iat=2664, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=2683,2684,
&end
#
# 145 ASN HD21 146 ARG H 5.21
&rst
ixpk= 0, nxpk= 0, iat=2669,2673, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 146 ARG H 146 ARG HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat=2673,2677, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 146 ARG H 146 ARG HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat=2673,2678, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 146 ARG H 146 ARG QB 2.88
&rst
ixpk= 0, nxpk= 0, iat=2673, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2=2677,2678,
&end
#
# 146 ARG H 146 ARG QD 4.45
&rst
ixpk= 0, nxpk= 0, iat=2673, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=2683,2684,
&end
#
# 146 ARG H 146 ARG QG 3.23
&rst
ixpk= 0, nxpk= 0, iat=2673, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=2680,2681,
&end
#
# 146 ARG H 147 GLY H 3.53
&rst
ixpk= 0, nxpk= 0, iat=2673,2697, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 146 ARG H 148 GLY H 4.30
&rst
ixpk= 0, nxpk= 0, iat=2673,2704, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 146 ARG HA 146 ARG QB 2.61
&rst
ixpk= 0, nxpk= 0, iat=2675, -1, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,
igr2=2677,2678,
&end
#
# 146 ARG HB2 147 GLY H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2677,2697, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 146 ARG HB3 147 GLY H 4.71
&rst
ixpk= 0, nxpk= 0, iat=2678,2697, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 146 ARG QB 146 ARG QD 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1=2677,2678,
igr2=2683,2684,
&end
#
# 146 ARG QB 147 GLY H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,2697, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=2677,2678,
&end
#
# 146 ARG QB 147 GLY QA 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=2677,2678,
igr2=2699,2700,
&end
#
# 146 ARG QG 146 ARG QD 2.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,
igr1=2680,2681,
igr2=2683,2684,
&end
#
# 146 ARG QG 147 GLY H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2697, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2680,2681,
&end
#
# 147 GLY H 147 GLY QA 2.67
&rst
ixpk= 0, nxpk= 0, iat=2697, -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
igr2=2699,2700,
&end
#
# 147 GLY H 148 GLY H 3.24
&rst
ixpk= 0, nxpk= 0, iat=2697,2704, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 148 GLY H 148 GLY QA 2.80
&rst
ixpk= 0, nxpk= 0, iat=2704, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=2706,2707,
&end
#
# 148 GLY QA 149 GLY H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2711, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=2706,2707,
&end
#
# 149 GLY H 149 GLY QA 2.58
&rst
ixpk= 0, nxpk= 0, iat=2711, -1, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,
igr2=2713,2714,
&end
#
# 149 GLY H 150 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2711,2718, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 149 GLY QA 150 ASN H 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2718, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr1=2713,2714,
&end
#
# 149 GLY QA 150 ASN HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,2720, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=2713,2714,
&end
#
# 149 GLY QA 150 ASN QB 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=2713,2714,
igr2=2722,2723,
&end
#
# 150 ASN H 150 ASN QB 3.63
&rst
ixpk= 0, nxpk= 0, iat=2718, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=2722,2723,
&end
#
# 150 ASN HA 151 GLY QA 4.92
&rst
ixpk= 0, nxpk= 0, iat=2720, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2734,2735,
&end
#
# 150 ASN QB 151 GLY H 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,2732, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=2722,2723,
&end
#
# 150 ASN QB 151 GLY QA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=2722,2723,
igr2=2734,2735,
&end
#
# 150 ASN QB 152 ARG H 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2722,2723,
&end
#
# 151 GLY H 151 GLY QA 2.79
&rst
ixpk= 0, nxpk= 0, iat=2732, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2=2734,2735,
&end
#
# 151 GLY H 152 ARG H 4.58
&rst
ixpk= 0, nxpk= 0, iat=2732,2739, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 151 GLY QA 152 ARG H 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2739, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,
igr1=2734,2735,
&end
#
# 151 GLY QA 152 ARG HA 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2741, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=2734,2735,
&end
#
# 151 GLY QA 152 ARG QB 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=2734,2735,
igr2=2743,2744,
&end
#
# 151 GLY QA 152 ARG QD 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=2734,2735,
igr2=2749,2750,
&end
#
# 151 GLY QA 152 ARG QG 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=2734,2735,
igr2=2746,2747,
&end
#
# 152 ARG H 152 ARG HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat=2739,2743, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 152 ARG H 152 ARG HB3 4.17
&rst
ixpk= 0, nxpk= 0, iat=2739,2744, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 152 ARG H 152 ARG QB 3.40
&rst
ixpk= 0, nxpk= 0, iat=2739, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=2743,2744,
&end
#
# 152 ARG H 152 ARG QD 4.71
&rst
ixpk= 0, nxpk= 0, iat=2739, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2749,2750,
&end
#
# 152 ARG H 152 ARG QG 3.43
&rst
ixpk= 0, nxpk= 0, iat=2739, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=2746,2747,
&end
#
# 152 ARG HA 152 ARG HB2 3.01
&rst
ixpk= 0, nxpk= 0, iat=2741,2743, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 152 ARG HA 152 ARG HB3 2.81
&rst
ixpk= 0, nxpk= 0, iat=2741,2744, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 152 ARG HA 152 ARG QB 2.44
&rst
ixpk= 0, nxpk= 0, iat=2741, -1, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr2=2743,2744,
&end
#
# 152 ARG HA 152 ARG QD 4.40
&rst
ixpk= 0, nxpk= 0, iat=2741, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2749,2750,
&end
#
# 152 ARG HA 153 GLY H 3.00
&rst
ixpk= 0, nxpk= 0, iat=2741,2763, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 152 ARG HA 153 GLY QA 4.73
&rst
ixpk= 0, nxpk= 0, iat=2741, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2765,2766,
&end
#
# 152 ARG HB2 152 ARG QG 2.85
&rst
ixpk= 0, nxpk= 0, iat=2743, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2746,2747,
&end
#
# 152 ARG HB2 153 GLY H 4.18
&rst
ixpk= 0, nxpk= 0, iat=2743,2763, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 152 ARG HB3 152 ARG QG 2.85
&rst
ixpk= 0, nxpk= 0, iat=2744, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2=2746,2747,
&end
#
# 152 ARG HB3 153 GLY H 4.48
&rst
ixpk= 0, nxpk= 0, iat=2744,2763, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 152 ARG QB 152 ARG QD 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=2743,2744,
igr2=2749,2750,
&end
#
# 152 ARG QB 153 GLY H 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=2743,2744,
&end
#
# 152 ARG QB 153 GLY QA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=2743,2744,
igr2=2765,2766,
&end
#
# 152 ARG QB 154 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2743,2744,
igr2=2772,2773,
&end
#
# 152 ARG QG 153 GLY H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2763, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=2746,2747,
&end
#
# 153 GLY H 153 GLY QA 2.94
&rst
ixpk= 0, nxpk= 0, iat=2763, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=2765,2766,
&end
#
# 153 GLY H 154 GLY H 4.58
&rst
ixpk= 0, nxpk= 0, iat=2763,2770, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 153 GLY H 154 GLY QA 5.21
&rst
ixpk= 0, nxpk= 0, iat=2763, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=2772,2773,
&end
#
# 153 GLY QA 154 GLY H 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2770, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1=2765,2766,
&end
#
# 154 GLY H 154 GLY QA 2.77
&rst
ixpk= 0, nxpk= 0, iat=2770, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=2772,2773,
&end
#
# 154 GLY QA 155 ARG H 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2777, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=2772,2773,
&end
#
# 154 GLY QA 155 ARG QB 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=2772,2773,
igr2=2781,2782,
&end
#
# 155 ARG H 155 ARG QB 3.51
&rst
ixpk= 0, nxpk= 0, iat=2777, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2781,2782,
&end
#
# 155 ARG HB2 155 ARG QD 3.11
&rst
ixpk= 0, nxpk= 0, iat=2781, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=2787,2788,
&end
#
# 155 ARG HB2 156 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat=2781,2801, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 155 ARG HB3 155 ARG QD 3.11
&rst
ixpk= 0, nxpk= 0, iat=2782, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=2787,2788,
&end
#
# 155 ARG HB3 156 GLY H 4.63
&rst
ixpk= 0, nxpk= 0, iat=2782,2801, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 155 ARG QB 156 GLY H 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,2801, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=2781,2782,
&end
#
# 155 ARG QD 156 GLY H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2801, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2787,2788,
&end
#
# 155 ARG QG 156 GLY H 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2801, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=2784,2785,
&end
#
# 14 RADE H8 97 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
rk2=50, rk3=50, ir6=1, ialtd=0,
igr2=1939,1940,
&end
#
# 14 RADE H8 97 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1936,1937,
&end
#
# 14 RADE H2 94 TYR HA 5.25
&rst
ixpk= 0, nxpk= 0, iat= 437,1884, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 14 RADE H2 94 TYR QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1890,1899,
&end
#
# 14 RADE H2 94 TYR QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1892,1897,
&end
#
# 14 RADE H2 92 ASN HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 437,1853, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 RADE H2 92 ASN HB3 4.50
&rst
ixpk= 0, nxpk= 0, iat= 437,1854, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 RADE H1' 94 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1890,1899,
&end
#
# 14 RADE H1' 94 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1892,1897,
&end
#
# 14 RADE H3' 146 ARG QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=2680,2681,
&end
#
# 14 RADE H3' 146 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2683,2684,
&end
#
# 14 RADE H3' 146 ARG QG 4.80
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=2680,2681,
&end
#
# 14 RADE H3' 146 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2683,2684,
&end
#
# 15 URA H6 97 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1939,1940,
&end
#
# 15 URA H6 103 LYS QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2043,2044,
&end
#
# 15 URA H5 97 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1939,1940,
&end
#
# 15 URA H5 97 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1939,1940,
&end
#
# 15 URA H5 103 LYS QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2043,2044,
&end
#
# 15 URA H1' 94 TYR QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1892,1897,
&end
#
# 15 URA H1' 94 TYR QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1890,1899,
&end
#
# 15 URA H1' 94 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 458,1886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 URA H1' 94 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 458,1887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 URA H1' 103 LYS QD 6.50
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=2040,2041,
&end
#
# 15 URA H1' 103 LYS HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 458,2044, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 15 URA H2' 57 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 473,1307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 URA H2' 94 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1892,1897,
&end
#
# 15 URA H4' 94 TYR QE 4.20
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1892,1897,
&end
#
# 15 URA H4' 94 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1890,1899,
&end
#
# 15 URA H4' 142 ALA QB 5.70
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=2621,2622,2623,
&end
#
# 15 URA H3' 141 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2603,2604,
&end
#
# 15 URA H3' 141 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2600,2601,
&end
#
# 15 URA H2' 57 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat= 473,1307, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 15 URA Q5' 141 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 452, 453,
igr2=2603,2604,
&end
#
# 15 URA Q5' 141 ARG QG 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 452, 453,
igr2=2600,2601,
&end
#
# 16 RGUA H8 57 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1303,1311,
&end
#
# 16 RGUA H8 57 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1305,1309,
&end
#
# 16 RGUA H8 57 PHE HZ 5.20
&rst
ixpk= 0, nxpk= 0, iat= 491,1307, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 16 RGUA H8 107 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2090,2091,2092,
&end
#
# 16 RGUA H8 94 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1892,1897,
&end
#
# 16 RGUA H8 107 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2090,2091,2092,
&end
#
# 16 RGUA H1' 57 PHE QD 3.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1303,1311,
&end
#
# 16 RGUA H1' 57 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1305,1309,
&end
#
# 16 RGUA H1' 107 THR QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2090,2091,2092,
&end
#
# 16 RGUA H1' 107 THR HB 6.50
&rst
ixpk= 0, nxpk= 0, iat= 488,2088, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00, &end
#
# 16 RGUA H1' 138 ALA QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2549,2550,2551,
&end
#
# 16 RGUA H1' 138 ALA HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 488,2547, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 RGUA H1' 55 THR QG2 5.20
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1268,1269,1270,
&end
#
# 16 RGUA H1' 55 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 488,1266, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 16 RGUA H1' 57 PHE QB 4.50
&rst
ixpk= 0, nxpk= 0, iat= 488, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1299,1300,
&end
#
# 16 RGUA H2' 140 ARG HA 3.70
&rst
ixpk= 0, nxpk= 0, iat= 507,2571, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 16 RGUA H2' 139 THR HA 4.50
&rst
ixpk= 0, nxpk= 0, iat= 507,2557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 RGUA H3' 141 ARG QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=2597,2598,
&end
#
# 16 RGUA H2' 140 ARG HA 3.00
&rst
ixpk= 0, nxpk= 0, iat= 507,2571, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 16 RGUA H3' 141 ARG HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 505,2597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 RGUA H3' 141 ARG HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 505,2598, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 16 RGUA H3' 141 ARG QG 5.80
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=2600,2601,
&end
#
# 16 RGUA H4' 94 TYR QE 4.90
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1892,1897,
&end
#
# 16 RGUA H4' 107 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2090,2091,2092,
&end
#
# 16 RGUA H4' 55 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1268,1269,1270,
&end
#
# 16 RGUA H4' 138 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2549,2550,2551,
&end
#
# 17 URA H6 139 THR HA 4.20
&rst
ixpk= 0, nxpk= 0, iat= 525,2557, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 URA H6 55 THR HB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 525,1266, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 17 URA H6 55 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1268,1269,1270,
&end
#
# 17 URA H6 138 ALA QB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 525, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2549,2550,2551,
&end
#
# 17 URA H5 139 THR HA 2.20
&rst
ixpk= 0, nxpk= 0, iat= 527,2557, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70, &end
#
# 17 URA H5 55 THR HB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 527,1266, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 17 URA H5 55 THR QG2 5.80
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1268,1269,1270,
&end
#
# 17 URA H5 140 ARG QG 3.80
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2576,2577,
&end
#
# 17 URA H5 107 THR QG2 6.20
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2=2090,2091,2092,
&end
#
# 17 URA H5 138 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 527, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2549,2550,2551,
&end
#
# 17 URA H1' 55 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1268,1269,1270,
&end
#
# 17 URA H1' 90 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1824,1825,1826,
&end
#
# 17 URA H2' 90 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1824,1825,1826,
&end
#
# 17 URA H2' 140 ARG QD 5.30
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=2579,2580,
&end
#
# 17 URA H2' 140 ARG QG 3.00
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2576,2577,
&end
#
# 17 URA H4' 90 MET QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1824,1825,1826,
&end
#
# 17 URA H4' 55 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1268,1269,1270,
&end
#
# 17 URA Q5' 90 MET QE 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 516, 517,
igr2=1824,1825,1826,
&end
#
# 17 URA H5' 107 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2090,2091,2092,
&end
#
# 17 URA H5" 107 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=2090,2091,2092,
&end
#
# 18 RGUA Q5' 90 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
igr1= 546, 547,
igr2=1824,1825,1826,
&end
#
# 9 RCYT H5 85 LYS QG 6.20
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr2=1746,1747,
&end
#
# 8 RCYT H5 85 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1743,1744,
&end
#
# 18 RGUA H1' 151 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2734,2735,
&end
#
# 19 RGUA H1' 151 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2734,2735,
&end
#
# 20 RGUA H1' 153 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2765,2766,
&end
#
# 9 RCYT H1' 153 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2765,2766,
&end
#
# 20 RGUA H1' 154 GLY QA 5.00
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2772,2773,
&end
#
# 8 RCYT H1' 154 GLY QA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2772,2773,
&end
Contact the webmaster for help, if required. Thursday, May 2, 2024 4:37:11 AM GMT (wattos1)