NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
635706 |
6gbm   |
34259 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# Restraints file 3: man_noe1.rst
#
# 2 RGUA H1' 3 RCYT H6 4.63
&rst
ixpk= 0, nxpk= 0, iat= 44, 81, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 8 URA H1' 9 RADE H8 5.14
&rst
ixpk= 0, nxpk= 0, iat= 239, 272, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 9 RADE H1' 10 RCYT H6 4.98
&rst
ixpk= 0, nxpk= 0, iat= 269, 305, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 10 RCYT H1' 10 RCYT H6 3.54
&rst
ixpk= 0, nxpk= 0, iat= 302, 305, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 22 RCYT H1' 23 RCYT H6 4.74
&rst
ixpk= 0, nxpk= 0, iat= 677, 711, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &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 H4' 1 RGUA H1' 4.00
&rst
ixpk= 0, nxpk= 0, iat= 7, 10, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 1 RGUA H2' 1 RGUA H8 3.13
&rst
ixpk= 0, nxpk= 0, iat= 29, 13, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 1 RGUA H2' 2 RGUA H8 2.78
&rst
ixpk= 0, nxpk= 0, iat= 29, 47, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28, &end
#
# 1 RGUA H3' 2 RGUA H8 4.34
&rst
ixpk= 0, nxpk= 0, iat= 27, 47, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 2 RGUA H4' 2 RGUA H1' 4.13
&rst
ixpk= 0, nxpk= 0, iat= 41, 44, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 17 RADE H4' 17 RADE H1' 3.98
&rst
ixpk= 0, nxpk= 0, iat= 517, 520, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 17 RADE H4' 17 RADE H8 4.76
&rst
ixpk= 0, nxpk= 0, iat= 517, 523, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 2 RGUA H2' 3 RCYT H6 3.18
&rst
ixpk= 0, nxpk= 0, iat= 63, 81, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 2 RGUA H3' 2 RGUA H8 4.29
&rst
ixpk= 0, nxpk= 0, iat= 61, 47, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 2 RGUA H5" 2 RGUA H8 4.82
&rst
ixpk= 0, nxpk= 0, iat= 39, 47, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 2 RGUA H5' 2 RGUA H8 4.82
&rst
ixpk= 0, nxpk= 0, iat= 38, 47, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 3 RCYT H4' 3 RCYT H1' 4.02
&rst
ixpk= 0, nxpk= 0, iat= 75, 78, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 3 RCYT H4' 3 RCYT H6 4.29
&rst
ixpk= 0, nxpk= 0, iat= 75, 81, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 3 RCYT H1' 3 RCYT H5 5.13
&rst
ixpk= 0, nxpk= 0, iat= 78, 83, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 3 RCYT H2' 3 RCYT H6 3.15
&rst
ixpk= 0, nxpk= 0, iat= 94, 81, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 3 RCYT H3' 3 RCYT H6 3.64
&rst
ixpk= 0, nxpk= 0, iat= 92, 81, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 3 RCYT H3' 4 RADE H8 3.72
&rst
ixpk= 0, nxpk= 0, iat= 92, 112, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 3 RCYT H5" 3 RCYT H6 4.43
&rst
ixpk= 0, nxpk= 0, iat= 73, 81, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 6 RADE H5' 6 RADE H8 4.72
&rst
ixpk= 0, nxpk= 0, iat= 170, 179, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 6 RADE H5" 6 RADE H8 4.72
&rst
ixpk= 0, nxpk= 0, iat= 171, 179, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 4 RADE H4' 4 RADE H1' 4.07
&rst
ixpk= 0, nxpk= 0, iat= 106, 109, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 4 RADE H2' 4 RADE H8 4.33
&rst
ixpk= 0, nxpk= 0, iat= 127, 112, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 4 RADE H2' 5 RGUA H8 3.75
&rst
ixpk= 0, nxpk= 0, iat= 127, 145, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 4 RADE H5" 4 RADE H8 4.20
&rst
ixpk= 0, nxpk= 0, iat= 104, 112, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 4 RADE H5' 4 RADE H8 4.20
&rst
ixpk= 0, nxpk= 0, iat= 103, 112, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 20 URA H5" 20 URA H6 4.27
&rst
ixpk= 0, nxpk= 0, iat= 608, 616, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 20 URA H5' 20 URA H6 4.27
&rst
ixpk= 0, nxpk= 0, iat= 607, 616, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 5 RGUA H4' 5 RGUA H1' 4.03
&rst
ixpk= 0, nxpk= 0, iat= 139, 142, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 5 RGUA H1' 6 RADE H8 4.73
&rst
ixpk= 0, nxpk= 0, iat= 142, 179, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 5 RGUA H4' 5 RGUA H8 4.67
&rst
ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 5 RGUA H2' 6 RADE H8 3.44
&rst
ixpk= 0, nxpk= 0, iat= 161, 179, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 5 RGUA H3' 5 RGUA H8 4.22
&rst
ixpk= 0, nxpk= 0, iat= 159, 145, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 5 RGUA H5' 5 RGUA H8 4.38
&rst
ixpk= 0, nxpk= 0, iat= 136, 145, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 6 RADE H4' 6 RADE H8 4.41
&rst
ixpk= 0, nxpk= 0, iat= 173, 179, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 6 RADE H4' 6 RADE H1' 4.24
&rst
ixpk= 0, nxpk= 0, iat= 173, 176, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 6 RADE H3' 7 URA H6 4.35
&rst
ixpk= 0, nxpk= 0, iat= 192, 212, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 7 URA H2' 7 URA H6 3.84
&rst
ixpk= 0, nxpk= 0, iat= 224, 212, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 7 URA H2' 8 URA H6 3.28
&rst
ixpk= 0, nxpk= 0, iat= 224, 242, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 7 URA H3' 8 URA H6 4.55
&rst
ixpk= 0, nxpk= 0, iat= 222, 242, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 7 URA H5" 7 URA H6 4.90
&rst
ixpk= 0, nxpk= 0, iat= 204, 212, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 7 URA H5' 7 URA H6 4.90
&rst
ixpk= 0, nxpk= 0, iat= 203, 212, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 8 URA H4' 8 URA H1' 4.48
&rst
ixpk= 0, nxpk= 0, iat= 236, 239, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 8 URA H4' 8 URA H6 4.22
&rst
ixpk= 0, nxpk= 0, iat= 236, 242, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 8 URA H3' 9 RADE H8 4.02
&rst
ixpk= 0, nxpk= 0, iat= 252, 272, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 16 URA H3' 16 URA H1' 3.92
&rst
ixpk= 0, nxpk= 0, iat= 503, 490, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 16 URA H3' 16 URA H6 3.76
&rst
ixpk= 0, nxpk= 0, iat= 503, 493, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 8 URA H5" 8 URA H6 4.93
&rst
ixpk= 0, nxpk= 0, iat= 234, 242, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 8 URA H5' 8 URA H6 4.93
&rst
ixpk= 0, nxpk= 0, iat= 233, 242, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 9 RADE H4' 9 RADE H1' 3.99
&rst
ixpk= 0, nxpk= 0, iat= 266, 269, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 9 RADE H3' 9 RADE H8 3.80
&rst
ixpk= 0, nxpk= 0, iat= 285, 272, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 9 RADE H3' 10 RCYT H6 3.86
&rst
ixpk= 0, nxpk= 0, iat= 285, 305, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 1 RGUA H5' 1 RGUA H8 4.13
&rst
ixpk= 0, nxpk= 0, iat= 4, 13, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 1 RGUA H5" 1 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 5, 10, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 1 RGUA H5' 1 RGUA H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 4, 10, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 RADE H5" 9 RADE H8 5.04
&rst
ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 9 RADE H5' 9 RADE H8 5.04
&rst
ixpk= 0, nxpk= 0, iat= 263, 272, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 16 URA H1' 17 RADE H8 4.47
&rst
ixpk= 0, nxpk= 0, iat= 490, 523, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 URA H4' 16 URA H6 4.35
&rst
ixpk= 0, nxpk= 0, iat= 487, 493, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 16 URA H4' 16 URA H1' 3.93
&rst
ixpk= 0, nxpk= 0, iat= 487, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 16 URA H2' 16 URA H6 3.84
&rst
ixpk= 0, nxpk= 0, iat= 505, 493, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 16 URA H5' 16 URA H6 4.07
&rst
ixpk= 0, nxpk= 0, iat= 484, 493, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 17 RADE H3' 18 URA H6 4.20
&rst
ixpk= 0, nxpk= 0, iat= 536, 556, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 RADE H3' 17 RADE H8 3.73
&rst
ixpk= 0, nxpk= 0, iat= 536, 523, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 17 RADE H5" 17 RADE H1' 5.23
&rst
ixpk= 0, nxpk= 0, iat= 515, 520, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 17 RADE H5' 17 RADE H1' 5.23
&rst
ixpk= 0, nxpk= 0, iat= 514, 520, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 18 URA H1' 19 URA H6 4.79
&rst
ixpk= 0, nxpk= 0, iat= 553, 586, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 18 URA H4' 18 URA H6 4.24
&rst
ixpk= 0, nxpk= 0, iat= 550, 556, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 18 URA H4' 18 URA H1' 4.52
&rst
ixpk= 0, nxpk= 0, iat= 550, 553, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 18 URA H2' 19 URA H6 3.59
&rst
ixpk= 0, nxpk= 0, iat= 568, 586, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 18 URA H3' 19 URA H6 4.14
&rst
ixpk= 0, nxpk= 0, iat= 566, 586, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 18 URA H5" 18 URA H6 4.81
&rst
ixpk= 0, nxpk= 0, iat= 548, 556, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 18 URA H5' 18 URA H6 4.81
&rst
ixpk= 0, nxpk= 0, iat= 547, 556, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 19 URA H2' 19 URA H6 3.97
&rst
ixpk= 0, nxpk= 0, iat= 598, 586, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 19 URA H2' 20 URA H6 3.38
&rst
ixpk= 0, nxpk= 0, iat= 598, 616, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 19 URA H3' 19 URA H1' 4.22
&rst
ixpk= 0, nxpk= 0, iat= 596, 583, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 20 URA H3' 20 URA H6 3.65
&rst
ixpk= 0, nxpk= 0, iat= 626, 616, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 20 URA H3' 20 URA H1' 4.22
&rst
ixpk= 0, nxpk= 0, iat= 626, 613, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 19 URA H5" 19 URA H6 4.82
&rst
ixpk= 0, nxpk= 0, iat= 578, 586, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 19 URA H5' 19 URA H6 4.82
&rst
ixpk= 0, nxpk= 0, iat= 577, 586, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 20 URA H4' 20 URA H6 4.39
&rst
ixpk= 0, nxpk= 0, iat= 610, 616, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 20 URA H4' 20 URA H1' 4.02
&rst
ixpk= 0, nxpk= 0, iat= 610, 613, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 20 URA H2' 21 RGUA H8 3.39
&rst
ixpk= 0, nxpk= 0, iat= 628, 646, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 20 URA H3' 21 RGUA H8 3.80
&rst
ixpk= 0, nxpk= 0, iat= 626, 646, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 21 RGUA H4' 21 RGUA H8 4.44
&rst
ixpk= 0, nxpk= 0, iat= 640, 646, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 21 RGUA H4' 21 RGUA H1' 4.06
&rst
ixpk= 0, nxpk= 0, iat= 640, 643, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 21 RGUA H3' 21 RGUA H8 3.75
&rst
ixpk= 0, nxpk= 0, iat= 660, 646, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 21 RGUA H5" 21 RGUA H8 4.39
&rst
ixpk= 0, nxpk= 0, iat= 638, 646, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 RGUA H5' 21 RGUA H8 4.39
&rst
ixpk= 0, nxpk= 0, iat= 637, 646, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 22 RCYT H4' 22 RCYT H6 4.41
&rst
ixpk= 0, nxpk= 0, iat= 674, 680, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 22 RCYT H4' 22 RCYT H1' 3.86
&rst
ixpk= 0, nxpk= 0, iat= 674, 677, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 22 RCYT H3' 22 RCYT H1' 3.84
&rst
ixpk= 0, nxpk= 0, iat= 691, 677, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 22 RCYT H3' 23 RCYT H6 3.97
&rst
ixpk= 0, nxpk= 0, iat= 691, 711, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 22 RCYT H2' 23 RCYT H6 3.32
&rst
ixpk= 0, nxpk= 0, iat= 693, 711, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 22 RCYT H5" 22 RCYT H6 4.53
&rst
ixpk= 0, nxpk= 0, iat= 672, 680, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 3 RCYT H5' 3 RCYT H6 4.43
&rst
ixpk= 0, nxpk= 0, iat= 72, 81, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 22 RCYT H5' 22 RCYT H6 4.53
&rst
ixpk= 0, nxpk= 0, iat= 671, 680, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 23 RCYT H4' 23 RCYT H6 4.02
&rst
ixpk= 0, nxpk= 0, iat= 705, 711, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 23 RCYT H4' 23 RCYT H1' 3.81
&rst
ixpk= 0, nxpk= 0, iat= 705, 708, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 23 RCYT H2' 23 RCYT H6 4.11
&rst
ixpk= 0, nxpk= 0, iat= 724, 711, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 23 RCYT H3' 23 RCYT H1' 3.93
&rst
ixpk= 0, nxpk= 0, iat= 722, 708, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 23 RCYT H3' 23 RCYT H6 3.46
&rst
ixpk= 0, nxpk= 0, iat= 722, 711, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 23 RCYT H5" 23 RCYT H6 4.60
&rst
ixpk= 0, nxpk= 0, iat= 703, 711, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 23 RCYT H5' 23 RCYT H6 4.60
&rst
ixpk= 0, nxpk= 0, iat= 702, 711, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 9 RADE H2' 10 RCYT H6 3.92
&rst
ixpk= 0, nxpk= 0, iat= 287, 305, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 10 RCYT H4' 10 RCYT H1' 4.51
&rst
ixpk= 0, nxpk= 0, iat= 299, 302, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 10 RCYT H5" 10 RCYT H6 4.76
&rst
ixpk= 0, nxpk= 0, iat= 297, 305, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 10 RCYT H5' 10 RCYT H6 4.76
&rst
ixpk= 0, nxpk= 0, iat= 296, 305, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 11 RADE H4' 11 RADE H1' 3.92
&rst
ixpk= 0, nxpk= 0, iat= 330, 333, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 9 RADE H2' 9 RADE H8 3.62
&rst
ixpk= 0, nxpk= 0, iat= 287, 272, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 12 RADE H4' 12 RADE H1' 3.59
&rst
ixpk= 0, nxpk= 0, iat= 363, 366, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 12 RADE H3' 13 URA H6 4.37
&rst
ixpk= 0, nxpk= 0, iat= 382, 402, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 12 RADE H2' 13 URA H6 4.46
&rst
ixpk= 0, nxpk= 0, iat= 384, 402, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 RADE H5' 12 RADE H8 4.65
&rst
ixpk= 0, nxpk= 0, iat= 360, 369, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 12 RADE H5" 12 RADE H8 4.65
&rst
ixpk= 0, nxpk= 0, iat= 361, 369, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 13 URA H4' 13 URA H6 4.51
&rst
ixpk= 0, nxpk= 0, iat= 396, 402, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 URA H4' 14 URA H6 4.62
&rst
ixpk= 0, nxpk= 0, iat= 426, 432, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 13 URA H3' 13 URA H6 4.10
&rst
ixpk= 0, nxpk= 0, iat= 412, 402, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 13 URA H3' 13 URA H1' 4.15
&rst
ixpk= 0, nxpk= 0, iat= 412, 399, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 14 URA H3' 14 URA H1' 4.07
&rst
ixpk= 0, nxpk= 0, iat= 442, 429, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 13 URA H2' 13 URA H6 2.86
&rst
ixpk= 0, nxpk= 0, iat= 414, 402, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 15 RCYT H4' 15 RCYT H6 4.39
&rst
ixpk= 0, nxpk= 0, iat= 456, 462, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 15 RCYT H5' 15 RCYT H6 4.35
&rst
ixpk= 0, nxpk= 0, iat= 453, 462, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 15 RCYT H5" 15 RCYT H6 4.35
&rst
ixpk= 0, nxpk= 0, iat= 454, 462, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 11 RADE H3' 11 RADE H1' 4.17
&rst
ixpk= 0, nxpk= 0, iat= 349, 333, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 11 RADE H2' 12 RADE H8 4.17
&rst
ixpk= 0, nxpk= 0, iat= 351, 369, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 1 RGUA H5" 1 RGUA H2' 5.14
&rst
ixpk= 0, nxpk= 0, iat= 5, 29, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 1 RGUA H5' 1 RGUA H2' 5.14
&rst
ixpk= 0, nxpk= 0, iat= 4, 29, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 18 URA H2' 18 URA H6 4.68
&rst
ixpk= 0, nxpk= 0, iat= 568, 556, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 21 RGUA H2' 21 RGUA H8 4.58
&rst
ixpk= 0, nxpk= 0, iat= 662, 646, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 URA H4' 13 URA H1' 3.59
&rst
ixpk= 0, nxpk= 0, iat= 396, 399, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 5 RGUA H2' 5 RGUA H8 4.12
&rst
ixpk= 0, nxpk= 0, iat= 161, 145, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 21 RGUA H2' 22 RCYT H6 3.21
&rst
ixpk= 0, nxpk= 0, iat= 662, 680, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 15 RCYT H4' 15 RCYT H1' 4.02
&rst
ixpk= 0, nxpk= 0, iat= 456, 459, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 15 RCYT H2' 15 RCYT H5 4.64
&rst
ixpk= 0, nxpk= 0, iat= 475, 464, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 22 RCYT H3' 23 RCYT H5 4.44
&rst
ixpk= 0, nxpk= 0, iat= 691, 713, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 22 RCYT H2' 23 RCYT H5 4.31
&rst
ixpk= 0, nxpk= 0, iat= 693, 713, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 23 RCYT H3' 23 RCYT H5 4.36
&rst
ixpk= 0, nxpk= 0, iat= 722, 713, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 22 RCYT H5 23 RCYT H5 4.91
&rst
ixpk= 0, nxpk= 0, iat= 682, 713, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 10 RCYT H3' 10 RCYT H5 4.90
&rst
ixpk= 0, nxpk= 0, iat= 316, 307, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 21 RGUA H3' 22 RCYT H5 4.53
&rst
ixpk= 0, nxpk= 0, iat= 660, 682, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 21 RGUA H2' 22 RCYT H5 4.45
&rst
ixpk= 0, nxpk= 0, iat= 662, 682, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 22 RCYT H3' 22 RCYT H5 4.85
&rst
ixpk= 0, nxpk= 0, iat= 691, 682, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 2 RGUA H3' 3 RCYT H5 4.30
&rst
ixpk= 0, nxpk= 0, iat= 61, 83, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 16 URA H2' 16 URA H5 4.59
&rst
ixpk= 0, nxpk= 0, iat= 505, 495, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 19 URA H2' 20 URA H5 3.77
&rst
ixpk= 0, nxpk= 0, iat= 598, 618, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 6 RADE H3' 7 URA H5 5.12
&rst
ixpk= 0, nxpk= 0, iat= 192, 214, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 6 RADE H2' 7 URA H5 4.96
&rst
ixpk= 0, nxpk= 0, iat= 194, 214, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 8 URA H3' 8 URA H6 3.73
&rst
ixpk= 0, nxpk= 0, iat= 252, 242, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 8 URA H2' 8 URA H6 3.52
&rst
ixpk= 0, nxpk= 0, iat= 254, 242, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 10 RCYT H3' 10 RCYT H6 3.42
&rst
ixpk= 0, nxpk= 0, iat= 316, 305, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 10 RCYT H4' 10 RCYT H6 4.35
&rst
ixpk= 0, nxpk= 0, iat= 299, 305, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 17 RADE H2' 18 URA H6 3.69
&rst
ixpk= 0, nxpk= 0, iat= 538, 556, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 18 URA H3' 18 URA H6 4.02
&rst
ixpk= 0, nxpk= 0, iat= 566, 556, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 22 RCYT H3' 22 RCYT H6 3.50
&rst
ixpk= 0, nxpk= 0, iat= 691, 680, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 RCYT H2' 22 RCYT H6 4.48
&rst
ixpk= 0, nxpk= 0, iat= 693, 680, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 6 RADE H2' 7 URA H6 3.74
&rst
ixpk= 0, nxpk= 0, iat= 194, 212, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 7 URA H3' 7 URA H6 3.79
&rst
ixpk= 0, nxpk= 0, iat= 222, 212, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 5 RGUA H3' 6 RADE H8 3.98
&rst
ixpk= 0, nxpk= 0, iat= 159, 179, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 21 RGUA H3' 22 RCYT H6 3.26
&rst
ixpk= 0, nxpk= 0, iat= 660, 680, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 19 URA H3' 20 URA H6 3.97
&rst
ixpk= 0, nxpk= 0, iat= 596, 616, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 19 URA H1' 20 URA H6 4.32
&rst
ixpk= 0, nxpk= 0, iat= 583, 616, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 1 RGUA H3' 1 RGUA H8 4.01
&rst
ixpk= 0, nxpk= 0, iat= 27, 13, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 1 RGUA H5" 1 RGUA H8 4.13
&rst
ixpk= 0, nxpk= 0, iat= 5, 13, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 3 RCYT H1' 4 RADE H8 4.49
&rst
ixpk= 0, nxpk= 0, iat= 78, 112, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 4 RADE H3' 4 RADE H8 3.71
&rst
ixpk= 0, nxpk= 0, iat= 125, 112, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 3 RCYT H2' 4 RADE H8 3.33
&rst
ixpk= 0, nxpk= 0, iat= 94, 112, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 4 RADE H4' 4 RADE H8 4.38
&rst
ixpk= 0, nxpk= 0, iat= 106, 112, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 17 RADE H2' 17 RADE H8 3.88
&rst
ixpk= 0, nxpk= 0, iat= 538, 523, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 16 URA H2' 17 RADE H8 3.45
&rst
ixpk= 0, nxpk= 0, iat= 505, 523, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 16 URA H3' 17 RADE H8 3.65
&rst
ixpk= 0, nxpk= 0, iat= 503, 523, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 17 RADE H5' 17 RADE H8 4.64
&rst
ixpk= 0, nxpk= 0, iat= 514, 523, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 RADE H4' 9 RADE H8 4.18
&rst
ixpk= 0, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 8 URA H2' 9 RADE H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= 254, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 RADE H8 10 RCYT H5 4.82
&rst
ixpk= 0, nxpk= 0, iat= 272, 307, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 10 RCYT H2' 11 RADE H8 3.87
&rst
ixpk= 0, nxpk= 0, iat= 318, 336, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 19 URA H3' 19 URA H6 3.67
&rst
ixpk= 0, nxpk= 0, iat= 596, 586, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 12 RADE H2' 12 RADE H8 3.17
&rst
ixpk= 0, nxpk= 0, iat= 384, 369, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 11 RADE H3' 12 RADE H8 3.54
&rst
ixpk= 0, nxpk= 0, iat= 349, 369, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 12 RADE H3' 12 RADE H8 4.24
&rst
ixpk= 0, nxpk= 0, iat= 382, 369, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 12 RADE H4' 12 RADE H8 4.60
&rst
ixpk= 0, nxpk= 0, iat= 363, 369, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 RCYT H3' 15 RCYT H6 3.95
&rst
ixpk= 0, nxpk= 0, iat= 473, 462, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 4 RADE H2 21 RGUA H1' 4.42
&rst
ixpk= 0, nxpk= 0, iat= 121, 643, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 6 RADE H2 19 URA H1' 3.25
&rst
ixpk= 0, nxpk= 0, iat= 188, 583, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 8 URA H1' 17 RADE H2 4.37
&rst
ixpk= 0, nxpk= 0, iat= 239, 532, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 12 RADE H3' 12 RADE H1' 4.07
&rst
ixpk= 0, nxpk= 0, iat= 382, 366, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 7 URA H4' 7 URA H6 4.18
&rst
ixpk= 0, nxpk= 0, iat= 206, 212, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 7 URA H4' 7 URA H1' 4.17
&rst
ixpk= 0, nxpk= 0, iat= 206, 209, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 7 URA H2' 8 URA H5 4.13
&rst
ixpk= 0, nxpk= 0, iat= 224, 244, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 11 RADE H4' 11 RADE H8 4.74
&rst
ixpk= 0, nxpk= 0, iat= 330, 336, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 11 RADE H5' 11 RADE H8 4.42
&rst
ixpk= 0, nxpk= 0, iat= 327, 336, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 11 RADE H5" 11 RADE H8 4.42
&rst
ixpk= 0, nxpk= 0, iat= 328, 336, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 10 RCYT H2' 11 RADE H1' 4.79
&rst
ixpk= 0, nxpk= 0, iat= 318, 333, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 2 RGUA H2' 3 RCYT H5 4.13
&rst
ixpk= 0, nxpk= 0, iat= 63, 83, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 18 URA H2' 19 URA H5 4.40
&rst
ixpk= 0, nxpk= 0, iat= 568, 588, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 16 URA H2' 17 RADE H1' 4.51
&rst
ixpk= 0, nxpk= 0, iat= 505, 520, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 3 RCYT H2' 4 RADE H1' 4.46
&rst
ixpk= 0, nxpk= 0, iat= 94, 109, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 16 URA H3' 16 URA H5 4.70
&rst
ixpk= 0, nxpk= 0, iat= 503, 495, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 17 RADE H5" 17 RADE H8 4.64
&rst
ixpk= 0, nxpk= 0, iat= 515, 523, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 17 RADE H2' 18 URA H5 4.87
&rst
ixpk= 0, nxpk= 0, iat= 538, 558, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 17 RADE H3' 18 URA H5 4.78
&rst
ixpk= 0, nxpk= 0, iat= 536, 558, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 1 RGUA H2' 2 RGUA H4' 4.66
&rst
ixpk= 0, nxpk= 0, iat= 29, 41, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 18 URA H5 19 URA H5 4.85
&rst
ixpk= 0, nxpk= 0, iat= 558, 588, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 19 URA H3' 19 URA H5 4.81
&rst
ixpk= 0, nxpk= 0, iat= 596, 588, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 4 RADE H3' 5 RGUA H8 3.97
&rst
ixpk= 0, nxpk= 0, iat= 125, 145, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 5 RGUA H5" 5 RGUA H8 4.38
&rst
ixpk= 0, nxpk= 0, iat= 137, 145, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 20 URA H3' 20 URA H5 4.69
&rst
ixpk= 0, nxpk= 0, iat= 626, 618, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 15 RCYT H2' 15 RCYT H6 3.36
&rst
ixpk= 0, nxpk= 0, iat= 475, 462, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 11 RADE H3' 11 RADE H8 3.75
&rst
ixpk= 0, nxpk= 0, iat= 349, 336, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 11 RADE H2' 11 RADE H8 3.68
&rst
ixpk= 0, nxpk= 0, iat= 351, 336, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 10 RCYT H3' 11 RADE H8 3.91
&rst
ixpk= 0, nxpk= 0, iat= 316, 336, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 8 URA H6 9 RADE H8 4.88
&rst
ixpk= 0, nxpk= 0, iat= 242, 272, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 6 RADE H2 7 URA H1' 3.49
&rst
ixpk= 0, nxpk= 0, iat= 188, 209, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 10 RCYT H2' 10 RCYT H6 3.51
&rst
ixpk= 0, nxpk= 0, iat= 318, 305, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 16 URA H5" 16 URA H6 4.07
&rst
ixpk= 0, nxpk= 0, iat= 485, 493, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 17 RADE H8 18 URA H5 5.22
&rst
ixpk= 0, nxpk= 0, iat= 523, 558, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 4 RADE H8 5 RGUA H8 5.33
&rst
ixpk= 0, nxpk= 0, iat= 112, 145, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 1 RGUA H8 2 RGUA H8 4.32
&rst
ixpk= 0, nxpk= 0, iat= 13, 47, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 9 RADE H8 10 RCYT H6 5.17
&rst
ixpk= 0, nxpk= 0, iat= 272, 305, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 18 URA H6 19 URA H6 5.25
&rst
ixpk= 0, nxpk= 0, iat= 556, 586, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 16 URA H6 17 RADE H8 4.99
&rst
ixpk= 0, nxpk= 0, iat= 493, 523, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 5 RGUA H8 6 RADE H8 4.86
&rst
ixpk= 0, nxpk= 0, iat= 145, 179, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 6 RADE H8 7 URA H6 5.42
&rst
ixpk= 0, nxpk= 0, iat= 179, 212, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 7 URA H6 8 URA H6 5.31
&rst
ixpk= 0, nxpk= 0, iat= 212, 242, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 17 RADE H8 18 URA H6 5.38
&rst
ixpk= 0, nxpk= 0, iat= 523, 556, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 10 RCYT H6 11 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 RCYT H6 4 RADE H8 4.79
&rst
ixpk= 0, nxpk= 0, iat= 81, 112, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 20 URA H6 21 RGUA H8 4.81
&rst
ixpk= 0, nxpk= 0, iat= 616, 646, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 2 RGUA H1' 2 RGUA H8 3.68
&rst
ixpk= 0, nxpk= 0, iat= 44, 47, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 3 RCYT H5 4 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 83, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 RADE H1' 5 RGUA H8 4.72
&rst
ixpk= 0, nxpk= 0, iat= 109, 145, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 1 RGUA H1' 2 RGUA H8 5.00
&rst
ixpk= 0, nxpk= 0, iat= 10, 47, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 1 RGUA H1' 1 RGUA H8 3.82
&rst
ixpk= 0, nxpk= 0, iat= 10, 13, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 6 RADE H1' 7 URA H6 4.83
&rst
ixpk= 0, nxpk= 0, iat= 176, 212, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 6 RADE H8 7 URA H5 5.00
&rst
ixpk= 0, nxpk= 0, iat= 179, 214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 7 URA H6 8 URA H5 5.32
&rst
ixpk= 0, nxpk= 0, iat= 212, 244, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 7 URA H1' 8 URA H6 4.78
&rst
ixpk= 0, nxpk= 0, iat= 209, 242, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 9 RADE H2 10 RCYT H1' 4.67
&rst
ixpk= 0, nxpk= 0, iat= 281, 302, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 10 RCYT H1' 11 RADE H8 5.50
&rst
ixpk= 0, nxpk= 0, iat= 302, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 RADE H1' 12 RADE H8 4.82
&rst
ixpk= 0, nxpk= 0, iat= 333, 369, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 RADE H1' 12 RADE H8 3.63
&rst
ixpk= 0, nxpk= 0, iat= 366, 369, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 12 RADE H1' 12 RADE H2 5.09
&rst
ixpk= 0, nxpk= 0, iat= 366, 378, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 17 RADE H1' 18 URA H6 4.40
&rst
ixpk= 0, nxpk= 0, iat= 520, 556, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 18 URA H6 19 URA H5 4.96
&rst
ixpk= 0, nxpk= 0, iat= 556, 588, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 19 URA H6 20 URA H5 5.26
&rst
ixpk= 0, nxpk= 0, iat= 586, 618, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 20 URA H1' 21 RGUA H8 4.32
&rst
ixpk= 0, nxpk= 0, iat= 613, 646, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 21 RGUA H1' 22 RCYT H6 4.24
&rst
ixpk= 0, nxpk= 0, iat= 643, 680, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 17 RADE H2 18 URA H1' 4.27
&rst
ixpk= 0, nxpk= 0, iat= 532, 553, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 6 RADE H1' 6 RADE H2 5.28
&rst
ixpk= 0, nxpk= 0, iat= 176, 188, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 4 RADE H2 5 RGUA H1' 3.83
&rst
ixpk= 0, nxpk= 0, iat= 121, 142, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 11 RADE H2 12 RADE H1' 4.88
&rst
ixpk= 0, nxpk= 0, iat= 345, 366, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 7 URA H5 8 URA H5 4.66
&rst
ixpk= 0, nxpk= 0, iat= 214, 244, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 URA H4' 14 URA H1' 3.56
&rst
ixpk= 0, nxpk= 0, iat= 426, 429, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 16 URA H1' 17 RADE H1' 5.50
&rst
ixpk= 0, nxpk= 0, iat= 490, 520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 URA H5 17 RADE H8 5.11
&rst
ixpk= 0, nxpk= 0, iat= 495, 523, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 9 RADE H2 17 RADE H1' 5.11
&rst
ixpk= 0, nxpk= 0, iat= 281, 520, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 1 RGUA Q5' 1 RGUA H1' 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 10, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 4, 5,
&end
#
# 1 RGUA Q5' 1 RGUA H8 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 4, 5,
&end
#
# 2 RGUA Q5' 2 RGUA H1' 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 44, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 38, 39,
&end
#
# 3 RCYT Q5' 3 RCYT H6 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 81, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 72, 73,
&end
#
# 4 RADE Q5' 4 RADE H1' 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 109, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 103, 104,
&end
#
# 5 RGUA Q5' 5 RGUA H8 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 145, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 136, 137,
&end
#
# 7 URA Q5' 7 URA H6 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 203, 204,
&end
#
# 8 URA Q5' 8 URA H6 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 233, 234,
&end
#
# 9 RADE Q5' 9 RADE H8 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 263, 264,
&end
#
# 10 RCYT Q5' 10 RCYT H6 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 296, 297,
&end
#
# 10 RCYT H3' 11 RADE Q5' 4.11
&rst
ixpk= 0, nxpk= 0, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 327, 328,
&end
#
# 11 RADE Q5' 11 RADE H1' 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 327, 328,
&end
#
# 12 RADE Q5' 12 RADE H1' 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 366, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 360, 361,
&end
#
# 13 URA Q5' 13 URA H6 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 393, 394,
&end
#
# 15 RCYT Q5' 15 RCYT H1' 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 459, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 453, 454,
&end
#
# 15 RCYT Q5' 15 RCYT H6 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 462, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 453, 454,
&end
#
# 16 URA Q5' 16 URA H5 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 484, 485,
&end
#
# 16 URA Q5' 16 URA H6 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 484, 485,
&end
#
# 17 RADE Q5' 17 RADE H1' 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 520, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 514, 515,
&end
#
# 17 RADE Q5' 17 RADE H8 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 523, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 514, 515,
&end
#
# 18 URA Q5' 18 URA H6 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 556, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 547, 548,
&end
#
# 19 URA Q5' 19 URA H6 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 577, 578,
&end
#
# 20 URA Q5' 20 URA H1' 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 613, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 607, 608,
&end
#
# 20 URA Q5' 20 URA H6 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 607, 608,
&end
#
# 21 RGUA Q5' 21 RGUA H8 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 646, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 637, 638,
&end
#
# 22 RCYT Q5' 22 RCYT H6 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 680, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 671, 672,
&end
# Restraints file 4: man_noe2.rst
#
# 12 RADE H8 73 TYR QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr2=1489,1498,
&end
#
# 12 RADE H8 73 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1491,1496,
&end
#
# 12 RADE H8 76 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1538,1539,
&end
#
# 12 RADE H8 76 ARG QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1535,1536,
&end
#
# 12 RADE H2 73 TYR QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1489,1498,
&end
#
# 12 RADE H2 73 TYR QE 3.00
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1491,1496,
&end
#
# 12 RADE H2 71 ASN HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 378,1452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 RADE H2 71 ASN HB3 5.00
&rst
ixpk= 0, nxpk= 0, iat= 378,1453, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 RADE H1' 73 TYR QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1489,1498,
&end
#
# 12 RADE H1' 73 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1491,1496,
&end
#
# 12 RADE H1' 125 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 366, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2282,2283,
&end
#
# 12 RADE H4' 125 ARG QD 5.00
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2282,2283,
&end
#
# 13 URA H1' 73 TYR QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1491,1496,
&end
#
# 13 URA H1' 73 TYR QD 2.80
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1489,1498,
&end
#
# 13 URA H1' 73 TYR HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 399,1485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 URA H1' 73 TYR HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 399,1486, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 URA H1' 82 LYS HE3 6.00
&rst
ixpk= 0, nxpk= 0, iat= 399,1643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 13 URA H1' 82 LYS QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1639,1640,
&end
#
# 13 URA H4' 73 TYR QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1491,1496,
&end
#
# 13 URA H4' 73 TYR QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= 396, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1489,1498,
&end
#
# 13 URA H3' 120 ARG QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2202,2203,
&end
#
# 14 URA H3' 120 ARG HB2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 442,2196, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 URA H3' 120 ARG HB3 4.00
&rst
ixpk= 0, nxpk= 0, iat= 442,2197, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 URA H3' 120 ARG QG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=2199,2200,
&end
#
# 13 URA H5 76 ARG QD 4.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1538,1539,
&end
#
# 13 URA H5 76 ARG QG 4.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1535,1536,
&end
#
# 13 URA H5 76 ARG QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1532,1533,
&end
#
# 13 URA H6 76 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1538,1539,
&end
#
# 14 URA H5 36 PHE QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 904, 908,
&end
#
# 14 URA H5 36 PHE HZ 4.00
&rst
ixpk= 0, nxpk= 0, iat= 434, 906, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 URA H5 86 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 434, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1689,1690,1691,
&end
#
# 14 URA H1' 36 PHE QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 902, 910,
&end
#
# 14 URA H1' 36 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 904, 908,
&end
#
# 14 URA H1' 86 THR QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1689,1690,1691,
&end
#
# 14 URA H1' 86 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 429,1687, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 URA H1' 117 ALA QB 3.00
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=2148,2149,2150,
&end
#
# 14 URA H1' 117 ALA HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 429,2146, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 URA H1' 34 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 867, 868, 869,
&end
#
# 14 URA H1' 34 THR HB 6.00
&rst
ixpk= 0, nxpk= 0, iat= 429, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 URA H1' 118 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 429, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2160,2161,2162,
&end
#
# 14 URA H1' 118 THR HA 6.00
&rst
ixpk= 0, nxpk= 0, iat= 429,2156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 14 URA H4' 73 TYR QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1491,1496,
&end
#
# 14 URA H4' 73 TYR QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1489,1498,
&end
#
# 14 URA H4' 86 THR QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1689,1690,1691,
&end
#
# 14 URA H4' 34 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 867, 868, 869,
&end
#
# 14 URA H4' 117 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2148,2149,2150,
&end
#
# 15 RCYT H1' 34 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 867, 868, 869,
&end
#
# 15 RCYT H1' 69 MET QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1423,1424,1425,
&end
#
# 15 RCYT H1' 86 THR QG2 6.00
&rst
ixpk= 0, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1689,1690,1691,
&end
#
# 15 RCYT H2' 34 THR QG2 5.00
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 867, 868, 869,
&end
#
# 15 RCYT H2' 69 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1423,1424,1425,
&end
#
# 15 RCYT H2' 119 ARG QD 3.00
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2178,2179,
&end
#
# 15 RCYT H2' 119 ARG QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2175,2176,
&end
#
# 15 RCYT H4' 69 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1423,1424,1425,
&end
#
# 15 RCYT H4' 86 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1689,1690,1691,
&end
#
# 15 RCYT H4' 34 THR QG2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 867, 868, 869,
&end
#
# 15 RCYT H5 117 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2148,2149,2150,
&end
#
# 15 RCYT H5 119 ARG QD 6.00
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2178,2179,
&end
#
# 15 RCYT H5 119 ARG QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2175,2176,
&end
#
# 15 RCYT H6 119 ARG QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2178,2179,
&end
#
# 15 RCYT H6 119 ARG QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=2175,2176,
&end
#
# 15 RCYT H6 117 ALA QB 4.00
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=2148,2149,2150,
&end
#
# 15 RCYT H6 34 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 867, 868, 869,
&end
#
# 15 RCYT H5' 86 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1689,1690,1691,
&end
#
# 15 RCYT H5" 86 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1689,1690,1691,
&end
#
# 16 URA H4' 69 MET QE 5.00
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1423,1424,1425,
&end
#
# 16 URA H5' 69 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 484, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1423,1424,1425,
&end
#
# 16 URA H5" 69 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1423,1424,1425,
&end
#
# 16 URA H5 69 MET QE 6.00
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1423,1424,1425,
&end
#
# 17 RADE H8 64 LYS QG 6.00
&rst
ixpk= 0, nxpk= 0, iat= 523, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2=1345,1346,
&end
# Restraints file 5: man_noe3.rst
#
# 1 RGUA H3' 1 RGUA H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 27, 13, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,
rk2=20, rk3=20, ir6=1, ialtd=0,
&end
#
# 2 RGUA H3' 2 RGUA H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 61, 47, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 RCYT H3' 3 RCYT H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 92, 81, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 RADE H3' 4 RADE H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 125, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 RGUA H3' 5 RGUA H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 159, 145, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 RADE H3' 6 RADE H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 192, 179, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 URA H3' 7 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 222, 212, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 URA H3' 8 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 252, 242, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 RADE H3' 9 RADE H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 285, 272, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 RCYT H3' 10 RCYT H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 316, 305, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 RADE H3' 11 RADE H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 349, 336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 RADE H2' 12 RADE H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 384, 369, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 URA H2' 13 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 414, 402, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 14 URA H2' 14 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 444, 432, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 RCYT H2' 15 RCYT H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 475, 462, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 16 URA H3' 16 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 503, 493, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 RADE H3' 17 RADE H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 536, 523, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 URA H3' 18 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 566, 556, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 URA H3' 19 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 596, 586, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 URA H3' 20 URA H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 626, 616, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 21 RGUA H3' 21 RGUA H8 2.80
&rst
ixpk= 0, nxpk= 0, iat= 660, 646, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 RCYT H3' 22 RCYT H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 691, 680, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 23 RCYT H3' 23 RCYT H6 2.80
&rst
ixpk= 0, nxpk= 0, iat= 722, 711, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
# Restraints file 6: ac.rst
#
# 26 HIS QB 26 HIS HD2 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 763, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
rk2=20, rk3=20, ir6=1, ialtd=0,
igr1= 754, 755,
&end
#
# 27 MET HA 27 MET QE 4.07
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 778, 779, 780,
&end
#
# 27 MET HA 27 MET QG 3.65
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 774, 775,
&end
#
# 27 MET HG3 27 MET QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 778, 779, 780,
&end
#
# 27 MET QB 28 ASP H 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 771, 772,
&end
#
# 27 MET QG 28 ASP H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 774, 775,
&end
#
# 28 ASP HA 28 ASP QB 2.81
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 788, 789,
&end
#
# 29 ASN H 29 ASN HB2 4.11
&rst
ixpk= 0, nxpk= 0, iat= 796, 800, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 29 ASN H 29 ASN QD2 4.50
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 805, 806,
&end
#
# 29 ASN HA 29 ASN HD21 4.69
&rst
ixpk= 0, nxpk= 0, iat= 798, 806, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 29 ASN HA 29 ASN HD22 4.69
&rst
ixpk= 0, nxpk= 0, iat= 798, 805, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 29 ASN HA 29 ASN QD2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 798, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 805, 806,
&end
#
# 29 ASN HB2 29 ASN HD22 3.64
&rst
ixpk= 0, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 29 ASN HB2 29 ASN QD2 2.99
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 805, 806,
&end
#
# 29 ASN HB2 30 SER H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 800, 810, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 29 ASN HB3 29 ASN QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 805, 806,
&end
#
# 29 ASN HB3 30 SER H 4.57
&rst
ixpk= 0, nxpk= 0, iat= 801, 810, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 29 ASN HD21 116 PHE HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 806,2128, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 29 ASN QD2 116 PHE HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 805, 806,
&end
#
# 29 ASN QD2 116 PHE HB3 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,2129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 805, 806,
&end
#
# 29 ASN QD2 116 PHE HZ 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 805, 806,
&end
#
# 30 SER HA 30 SER QB 2.82
&rst
ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2= 814, 815,
&end
#
# 31 ASP QB 32 ASN H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 825, 826,
&end
#
# 32 ASN HB3 33 ASN H 4.58
&rst
ixpk= 0, nxpk= 0, iat= 838, 847, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 33 ASN H 33 ASN QB 3.80
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 851, 852,
&end
#
# 33 ASN H 33 ASN QD2 4.45
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 856, 857,
&end
#
# 33 ASN HB3 95 ALA QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1811,1812,1813,
&end
#
# 33 ASN QB 34 THR H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 851, 852,
&end
#
# 33 ASN QB 89 PHE H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 851, 852,
&end
#
# 33 ASN QB 92 PRO HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1778, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 851, 852,
&end
#
# 33 ASN QB 92 PRO QB 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 851, 852,
igr2=1775,1776,
&end
#
# 33 ASN QB 95 ALA H 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 851, 852,
&end
#
# 34 THR H 34 THR QG2 4.05
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 867, 868, 869,
&end
#
# 34 THR HA 34 THR QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 867, 868, 869,
&end
#
# 34 THR QG2 86 THR HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 867, 868, 869,
&end
#
# 34 THR QG2 88 SER H 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 867, 868, 869,
&end
#
# 35 ILE H 87 VAL H 3.75
&rst
ixpk= 0, nxpk= 0, iat= 875,1697, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 35 ILE H 87 VAL QQG 4.93
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 35 ILE HA 35 ILE QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 888, 889, 890,
&end
#
# 35 ILE HA 35 ILE QG2 3.30
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 881, 882, 883,
&end
#
# 35 ILE HA 116 PHE HA 3.69
&rst
ixpk= 0, nxpk= 0, iat= 877,2126, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 35 ILE HA 116 PHE QD 4.92
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2132,2140,
&end
#
# 35 ILE HB 35 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 888, 889, 890,
&end
#
# 35 ILE HB 37 VAL QQG 4.11
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 35 ILE HB 114 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2103,2104,2105,
&end
#
# 35 ILE HB 116 PHE HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 879,2126, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 35 ILE QD1 37 VAL QQG 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 888, 889, 890,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 35 ILE QD1 87 VAL QQG 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 888, 889, 890,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 35 ILE QD1 89 PHE QE 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 888, 889, 890,
igr2=1734,1738,
&end
#
# 35 ILE QD1 99 ILE H 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1859, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 888, 889, 890,
&end
#
# 35 ILE QD1 114 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 888, 889, 890,
&end
#
# 35 ILE QG2 95 ALA H 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 881, 882, 883,
&end
#
# 35 ILE QG2 95 ALA HA 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 881, 882, 883,
&end
#
# 35 ILE QG2 96 LYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 881, 882, 883,
&end
#
# 35 ILE QG2 116 PHE HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 881, 882, 883,
&end
#
# 36 PHE H 37 VAL H 4.66
&rst
ixpk= 0, nxpk= 0, iat= 894, 914, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 36 PHE H 37 VAL QQG 4.66
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 36 PHE H 86 THR QG2 4.80
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1689,1690,1691,
&end
#
# 36 PHE H 114 VAL QG1 4.19
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2103,2104,2105,
&end
#
# 36 PHE H 115 SER H 3.43
&rst
ixpk= 0, nxpk= 0, iat= 894,2113, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 36 PHE H 115 SER QB 4.77
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=2117,2118,
&end
#
# 36 PHE H 116 PHE H 4.93
&rst
ixpk= 0, nxpk= 0, iat= 894,2124, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 36 PHE H 116 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2132,2140,
&end
#
# 36 PHE H 117 ALA H 3.88
&rst
ixpk= 0, nxpk= 0, iat= 894,2144, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 36 PHE HA 36 PHE QD 3.91
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 902, 910,
&end
#
# 36 PHE HA 86 THR H 5.21
&rst
ixpk= 0, nxpk= 0, iat= 896,1683, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 36 PHE HA 86 THR HA 3.75
&rst
ixpk= 0, nxpk= 0, iat= 896,1685, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 36 PHE HA 86 THR QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1689,1690,1691,
&end
#
# 36 PHE HA 117 ALA QB 4.31
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=2148,2149,2150,
&end
#
# 36 PHE HB2 117 ALA H 4.55
&rst
ixpk= 0, nxpk= 0, iat= 898,2144, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 36 PHE HB2 117 ALA QB 3.68
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=2148,2149,2150,
&end
#
# 36 PHE HZ 84 GLU QB 4.87
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1662,1663,
&end
#
# 36 PHE QD 37 VAL QQG 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
igr1= 902, 910,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 36 PHE QD 38 GLN QG 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 902, 910,
igr2= 937, 938,
&end
#
# 36 PHE QE 38 GLN QG 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 904, 908,
igr2= 937, 938,
&end
#
# 36 PHE QE 84 GLU QB 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 904, 908,
igr2=1662,1663,
&end
#
# 37 VAL H 37 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 920, 921, 922,
&end
#
# 37 VAL H 37 VAL QQG 3.27
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL H 40 LEU QQD 5.41
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 37 VAL H 86 THR QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1689,1690,1691,
&end
#
# 37 VAL H 87 VAL H 4.84
&rst
ixpk= 0, nxpk= 0, iat= 914,1697, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 37 VAL H 87 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 37 VAL H 114 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2107,2108,2109,
&end
#
# 37 VAL HA 37 VAL QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 920, 921, 922,
&end
#
# 37 VAL HA 37 VAL QG2 3.56
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 924, 925, 926,
&end
#
# 37 VAL HA 40 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 37 VAL HA 114 VAL QG1 4.11
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=2103,2104,2105,
&end
#
# 37 VAL HA 114 VAL QG2 4.25
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=2107,2108,2109,
&end
#
# 37 VAL HA 115 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2117,2118,
&end
#
# 37 VAL HB 40 LEU QD2 4.99
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 967, 968, 969,
&end
#
# 37 VAL HB 40 LEU QQD 3.85
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 37 VAL HB 87 VAL QQG 4.87
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 37 VAL QG2 38 GLN H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 924, 925, 926,
&end
#
# 37 VAL QG2 114 VAL HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 924, 925, 926,
&end
#
# 37 VAL QQG 38 GLN H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 38 GLN HA 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 39 GLY H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 40 LEU H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 40 LEU HA 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 956, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 40 LEU HG 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 40 LEU QQD 3.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 920, 921, 922, 924, 925, 926,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 37 VAL QQG 53 PHE QE 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 920, 921, 922, 924, 925, 926,
igr2=1153,1157,
&end
#
# 37 VAL QQG 85 ALA H 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 86 THR HA 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 87 VAL H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 87 VAL HB 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 87 VAL QQG 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 920, 921, 922, 924, 925, 926,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 37 VAL QQG 89 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= 920, 921, 922, 924, 925, 926,
igr2=1734,1738,
&end
#
# 37 VAL QQG 112 ILE HB 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 113 LYS H 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 114 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 114 VAL HA 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 37 VAL QQG 114 VAL QG1 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 920, 921, 922, 924, 925, 926,
igr2=2103,2104,2105,
&end
#
# 37 VAL QQG 114 VAL QG2 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 920, 921, 922, 924, 925, 926,
igr2=2107,2108,2109,
&end
#
# 37 VAL QQG 115 SER H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 920, 921, 922, 924, 925, 926,
&end
#
# 38 GLN H 38 GLN QG 4.03
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 937, 938,
&end
#
# 38 GLN H 39 GLY H 4.41
&rst
ixpk= 0, nxpk= 0, iat= 930, 947, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 38 GLN H 39 GLY HA3 4.91
&rst
ixpk= 0, nxpk= 0, iat= 930, 950, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 38 GLN H 40 LEU QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 963, 964, 965,
&end
#
# 38 GLN H 40 LEU QQD 4.67
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 38 GLN H 112 ILE QG2 4.59
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=2062,2063,2064,
&end
#
# 38 GLN H 113 LYS H 3.38
&rst
ixpk= 0, nxpk= 0, iat= 930,2075, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 38 GLN HA 38 GLN QG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 937, 938,
&end
#
# 38 GLN HA 84 GLU QB 4.78
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1662,1663,
&end
#
# 38 GLN HB3 38 GLN QE2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 942, 943,
&end
#
# 38 GLN QE2 113 LYS HB3 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,2080, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 942, 943,
&end
#
# 38 GLN QE2 113 LYS QG 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 942, 943,
igr2=2082,2083,
&end
#
# 38 GLN QG 38 GLN QE2 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1= 937, 938,
igr2= 942, 943,
&end
#
# 38 GLN QG 84 GLU HA 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 937, 938,
&end
#
# 39 GLY H 40 LEU H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 947, 954, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 39 GLY H 40 LEU QD1 5.43
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 963, 964, 965,
&end
#
# 39 GLY H 40 LEU QD2 5.43
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 967, 968, 969,
&end
#
# 39 GLY H 40 LEU QQD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 39 GLY H 41 GLY H 4.46
&rst
ixpk= 0, nxpk= 0, iat= 947, 973, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 39 GLY H 83 GLY QA 4.41
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1653,1654,
&end
#
# 39 GLY H 85 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 947,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HA2 112 ILE QG2 4.61
&rst
ixpk= 0, nxpk= 0, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2062,2063,2064,
&end
#
# 39 GLY HA3 112 ILE HA 3.99
&rst
ixpk= 0, nxpk= 0, iat= 950,2058, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 40 LEU H 40 LEU QQD 3.37
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU H 83 GLY QA 3.94
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1653,1654,
&end
#
# 40 LEU HA 40 LEU QD1 4.04
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 963, 964, 965,
&end
#
# 40 LEU HA 40 LEU QD2 4.04
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 967, 968, 969,
&end
#
# 40 LEU HA 40 LEU QQD 3.21
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU HG 107 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1998,2006,
&end
#
# 40 LEU QB 83 GLY H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 958, 959,
&end
#
# 40 LEU QB 83 GLY HA2 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1653, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 958, 959,
&end
#
# 40 LEU QB 83 GLY QA 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 958, 959,
igr2=1653,1654,
&end
#
# 40 LEU QB 107 PHE QD 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 958, 959,
igr2=1998,2006,
&end
#
# 40 LEU QD1 41 GLY H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 963, 964, 965,
&end
#
# 40 LEU QD1 44 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 963, 964, 965,
igr2=1019,1020,1021,
&end
#
# 40 LEU QD2 41 GLY H 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 967, 968, 969,
&end
#
# 40 LEU QD2 107 PHE HZ 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 967, 968, 969,
&end
#
# 40 LEU QD2 107 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 967, 968, 969,
igr2=2000,2004,
&end
#
# 40 LEU QQD 44 VAL H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 44 VAL HB 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 44 VAL QG2 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1019,1020,1021,
&end
#
# 40 LEU QQD 49 VAL H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 49 VAL HA 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 49 VAL HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 49 VAL QQG 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 40 LEU QQD 52 TYR QE 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1132,1137,
&end
#
# 40 LEU QQD 53 PHE HZ 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 53 PHE QE 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1153,1157,
&end
#
# 40 LEU QQD 72 LEU QQD 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 40 LEU QQD 83 GLY QA 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1653,1654,
&end
#
# 40 LEU QQD 84 GLU H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 84 GLU HA 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1660, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 85 ALA H 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 85 ALA HA 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 85 ALA QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1677,1678,1679,
&end
#
# 40 LEU QQD 107 PHE H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 107 PHE HB2 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 107 PHE HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 107 PHE HZ 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 107 PHE QD 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 963, 964, 965, 967, 968, 969,
igr2=1998,2006,
&end
#
# 40 LEU QQD 107 PHE QE 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 963, 964, 965, 967, 968, 969,
igr2=2000,2004,
&end
#
# 40 LEU QQD 112 ILE HB 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 40 LEU QQD 112 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 963, 964, 965, 967, 968, 969,
igr2=2069,2070,2071,
&end
#
# 40 LEU QQD 112 ILE QG2 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 963, 964, 965, 967, 968, 969,
igr2=2062,2063,2064,
&end
#
# 40 LEU QQD 113 LYS H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 963, 964, 965, 967, 968, 969,
&end
#
# 41 GLY H 83 GLY H 4.97
&rst
ixpk= 0, nxpk= 0, iat= 973,1651, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 41 GLY H 83 GLY HA3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 973,1654, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 41 GLY H 83 GLY QA 3.02
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1653,1654,
&end
#
# 41 GLY H 110 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973,2038, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLY HA2 110 ASN HD22 4.61
&rst
ixpk= 0, nxpk= 0, iat= 975,2037, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 42 GLU H 42 GLU QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 984, 985,
&end
#
# 42 GLU H 43 ASN H 3.02
&rst
ixpk= 0, nxpk= 0, iat= 980, 995, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 42 GLU H 43 ASN HA 4.97
&rst
ixpk= 0, nxpk= 0, iat= 980, 997, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 42 GLU H 43 ASN QB 5.00
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 999,1000,
&end
#
# 42 GLU H 44 VAL H 4.28
&rst
ixpk= 0, nxpk= 0, iat= 980,1009, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 42 GLU H 81 LEU QQD 4.90
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 42 GLU HA 42 GLU HG2 4.03
&rst
ixpk= 0, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 42 GLU HA 42 GLU HG3 4.03
&rst
ixpk= 0, nxpk= 0, iat= 982, 988, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 42 GLU HA 81 LEU QB 3.45
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1614,1615,
&end
#
# 42 GLU HA 81 LEU QD2 5.13
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1623,1624,1625,
&end
#
# 42 GLU HA 81 LEU QQD 3.69
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 42 GLU QB 43 ASN H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 995, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 984, 985,
&end
#
# 42 GLU QB 43 ASN HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 984, 985,
&end
#
# 42 GLU QB 43 ASN HD21 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 984, 985,
&end
#
# 42 GLU QB 81 LEU QB 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 984, 985,
igr2=1614,1615,
&end
#
# 42 GLU QG 43 ASN HD21 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 987, 988,
&end
#
# 42 GLU QG 43 ASN HD22 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 987, 988,
&end
#
# 43 ASN H 43 ASN HD21 4.07
&rst
ixpk= 0, nxpk= 0, iat= 995,1005, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 43 ASN H 43 ASN HD22 4.64
&rst
ixpk= 0, nxpk= 0, iat= 995,1004, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 43 ASN H 43 ASN QB 3.02
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 999,1000,
&end
#
# 43 ASN H 44 VAL H 3.13
&rst
ixpk= 0, nxpk= 0, iat= 995,1009, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 43 ASN H 81 LEU QQD 4.40
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 43 ASN HA 43 ASN HD22 5.19
&rst
ixpk= 0, nxpk= 0, iat= 997,1004, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 43 ASN HA 81 LEU QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1614,1615,
&end
#
# 43 ASN HA 81 LEU QQD 4.16
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 43 ASN HB2 44 VAL H 4.77
&rst
ixpk= 0, nxpk= 0, iat= 999,1009, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 43 ASN HB3 44 VAL H 4.77
&rst
ixpk= 0, nxpk= 0, iat=1000,1009, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 43 ASN QB 43 ASN HD21 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1= 999,1000,
&end
#
# 43 ASN QB 43 ASN HD22 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 999,1000,
&end
#
# 44 VAL H 45 THR H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1009,1025, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 44 VAL H 45 THR QG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1031,1032,1033,
&end
#
# 44 VAL H 72 LEU QQD 5.21
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 44 VAL H 81 LEU QQD 3.36
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 44 VAL H 83 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1653,1654,
&end
#
# 44 VAL HA 44 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1019,1020,1021,
&end
#
# 44 VAL HA 45 THR HA 4.81
&rst
ixpk= 0, nxpk= 0, iat=1011,1027, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 44 VAL HA 81 LEU QQD 4.78
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 44 VAL HA 107 PHE HZ 5.24
&rst
ixpk= 0, nxpk= 0, iat=1011,2002, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 44 VAL HB 45 THR HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1013,1027, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 44 VAL HB 45 THR QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1031,1032,1033,
&end
#
# 44 VAL QG1 48 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1015,1016,1017,
igr2=1077,1078,
&end
#
# 44 VAL QG1 83 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1015,1016,1017,
igr2=1653,1654,
&end
#
# 44 VAL QG1 108 SER QB 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1015,1016,1017,
igr2=2014,2015,
&end
#
# 44 VAL QG2 45 THR QG2 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
igr1=1019,1020,1021,
igr2=1031,1032,1033,
&end
#
# 44 VAL QG2 72 LEU QQD 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1019,1020,1021,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 44 VAL QG2 81 LEU QB 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1=1019,1020,1021,
igr2=1614,1615,
&end
#
# 44 VAL QG2 81 LEU QQD 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1019,1020,1021,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 44 VAL QG2 83 GLY QA 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1019,1020,1021,
igr2=1653,1654,
&end
#
# 45 THR H 45 THR HG1 5.15
&rst
ixpk= 0, nxpk= 0, iat=1025,1035, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 45 THR H 46 ILE H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1025,1039, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 45 THR H 47 GLU H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1025,1058, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 45 THR H 48 SER H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1025,1073, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 45 THR H 48 SER QB 3.77
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1077,1078,
&end
#
# 45 THR H 49 VAL H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1025,1084, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 45 THR H 72 LEU QQD 4.96
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 45 THR HA 72 LEU QQD 4.22
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 45 THR HB 49 VAL QQG 5.35
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 45 THR HB 72 LEU QQD 5.44
&rst
ixpk= 0, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 46 ILE H 46 ILE HG12 3.93
&rst
ixpk= 0, nxpk= 0, iat=1039,1049, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 46 ILE H 48 SER H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1039,1073, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 46 ILE H 49 VAL H 5.45
&rst
ixpk= 0, nxpk= 0, iat=1039,1084, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 46 ILE H 72 LEU QQD 3.68
&rst
ixpk= 0, nxpk= 0, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 46 ILE HA 46 ILE HG12 3.87
&rst
ixpk= 0, nxpk= 0, iat=1041,1049, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 46 ILE HA 46 ILE HG13 4.03
&rst
ixpk= 0, nxpk= 0, iat=1041,1050, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 46 ILE HA 46 ILE QD1 4.14
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1052,1053,1054,
&end
#
# 46 ILE HA 46 ILE QG2 3.12
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1045,1046,1047,
&end
#
# 46 ILE HA 49 VAL H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1041,1084, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 46 ILE HA 49 VAL HB 4.74
&rst
ixpk= 0, nxpk= 0, iat=1041,1088, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 46 ILE HA 49 VAL QQG 3.47
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 46 ILE HA 70 ILE QG2 3.77
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1435,1436,1437,
&end
#
# 46 ILE HA 72 LEU QQD 3.86
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 46 ILE HB 46 ILE QD1 3.50
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1052,1053,1054,
&end
#
# 46 ILE HB 49 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 46 ILE HB 72 LEU QQD 4.17
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 46 ILE HG12 72 LEU QQD 3.92
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 46 ILE HG13 70 ILE QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1435,1436,1437,
&end
#
# 46 ILE HG13 72 LEU QQD 3.49
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 46 ILE QD1 67 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1052,1053,1054,
&end
#
# 46 ILE QD1 70 ILE HB 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1=1052,1053,1054,
&end
#
# 46 ILE QD1 72 LEU QQD 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1052,1053,1054,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 46 ILE QG2 46 ILE HG13 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 47 GLU H 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 47 GLU HG2 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 48 SER H 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 67 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 70 ILE QG1 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1045,1046,1047,
igr2=1439,1440,
&end
#
# 46 ILE QG2 87 VAL QQG 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr1=1045,1046,1047,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 47 GLU H 47 GLU HB3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 47 GLU H 47 GLU HG2 4.10
&rst
ixpk= 0, nxpk= 0, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 47 GLU H 48 SER H 3.05
&rst
ixpk= 0, nxpk= 0, iat=1058,1073, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 47 GLU H 48 SER HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1058,1075, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 47 GLU H 50 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1104,1105,1106,
&end
#
# 47 GLU HA 47 GLU HG2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1060,1065, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 GLU HA 68 PRO QG 3.87
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1402,1403,
&end
#
# 48 SER H 48 SER QB 2.87
&rst
ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2=1077,1078,
&end
#
# 48 SER H 49 VAL QQG 4.43
&rst
ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 48 SER QB 49 VAL QQG 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
igr1=1077,1078,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 48 SER QB 50 ALA H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1077,1078,
&end
#
# 48 SER QB 51 ASP HB2 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1077,1078,
&end
#
# 48 SER QB 51 ASP HB3 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1077,1078,
&end
#
# 48 SER QB 52 TYR H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1077,1078,
&end
#
# 48 SER QB 107 PHE QE 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1077,1078,
igr2=2000,2004,
&end
#
# 49 VAL H 49 VAL QQG 2.65
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL H 50 ALA H 2.97
&rst
ixpk= 0, nxpk= 0, iat=1084,1100, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 49 VAL H 51 ASP H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1084,1110, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 49 VAL H 52 TYR H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1084,1122, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 49 VAL H 70 ILE QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1439,1440,
&end
#
# 49 VAL H 72 LEU QQD 5.37
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 49 VAL HA 52 TYR QD 4.49
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1130,1139,
&end
#
# 49 VAL HA 53 PHE QD 4.82
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1151,1159,
&end
#
# 49 VAL HB 72 LEU QQD 4.64
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 49 VAL HB 87 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1707,1708,1709,
&end
#
# 49 VAL HB 87 VAL QQG 4.51
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 49 VAL QQG 50 ALA H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 50 ALA HA 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 51 ASP H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 52 TYR H 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 52 TYR HB2 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 52 TYR HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1127, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 53 PHE H 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 53 PHE HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 53 PHE QD 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1151,1159,
&end
#
# 49 VAL QQG 53 PHE QE 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1153,1157,
&end
#
# 49 VAL QQG 70 ILE QG1 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1439,1440,
&end
#
# 49 VAL QQG 70 ILE QG2 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1435,1436,1437,
&end
#
# 49 VAL QQG 72 LEU QQD 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 49 VAL QQG 85 ALA QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1677,1678,1679,
&end
#
# 49 VAL QQG 87 VAL QQG 2.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1090,1091,1092,1094,1095,1096,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 49 VAL QQG 107 PHE HZ 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1090,1091,1092,1094,1095,1096,
&end
#
# 49 VAL QQG 107 PHE QE 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
igr1=1090,1091,1092,1094,1095,1096,
igr2=2000,2004,
&end
#
# 50 ALA H 51 ASP H 3.09
&rst
ixpk= 0, nxpk= 0, iat=1100,1110, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 50 ALA H 51 ASP HB2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 50 ALA H 51 ASP HB3 5.28
&rst
ixpk= 0, nxpk= 0, iat=1100,1115, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 50 ALA H 52 TYR H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1100,1122, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 50 ALA H 68 PRO QG 4.79
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1402,1403,
&end
#
# 50 ALA H 87 VAL QQG 4.87
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 50 ALA HA 52 TYR H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1102,1122, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 50 ALA QB 51 ASP HB2 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 54 LYS H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 68 PRO HD3 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 68 PRO HG3 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 68 PRO QG 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1104,1105,1106,
igr2=1402,1403,
&end
#
# 50 ALA QB 87 VAL QQG 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1104,1105,1106,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 51 ASP H 52 TYR H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1110,1122, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 51 ASP H 59 ILE QD1 4.67
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1260,1261,1262,
&end
#
# 51 ASP HA 52 TYR H 3.53
&rst
ixpk= 0, nxpk= 0, iat=1112,1122, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 51 ASP HA 54 LYS HB3 4.40
&rst
ixpk= 0, nxpk= 0, iat=1112,1168, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 51 ASP HA 54 LYS HG3 4.36
&rst
ixpk= 0, nxpk= 0, iat=1112,1171, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 51 ASP HA 54 LYS QE 3.39
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1176,1177,
&end
#
# 52 TYR H 52 TYR QD 4.26
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1130,1139,
&end
#
# 52 TYR H 53 PHE H 3.14
&rst
ixpk= 0, nxpk= 0, iat=1122,1143, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 52 TYR HA 52 TYR QE 5.00
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1132,1137,
&end
#
# 52 TYR HA 55 GLN HE22 4.39
&rst
ixpk= 0, nxpk= 0, iat=1124,1197, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 52 TYR HB3 107 PHE QD 4.41
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1998,2006,
&end
#
# 52 TYR QD 102 PHE QD 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1130,1139,
igr2=1922,1930,
&end
#
# 52 TYR QD 107 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1130,1139,
&end
#
# 52 TYR QE 107 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1132,1137,
&end
#
# 52 TYR QE 107 PHE HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1995, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1=1132,1137,
&end
#
# 52 TYR QE 108 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1132,1137,
&end
#
# 53 PHE H 53 PHE HB3 3.58
&rst
ixpk= 0, nxpk= 0, iat=1143,1148, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 53 PHE H 54 LYS H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1143,1163, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 53 PHE H 87 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 53 PHE HB2 54 LYS H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1147,1163, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 53 PHE HB2 59 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1260,1261,1262,
&end
#
# 53 PHE HB2 87 VAL QQG 4.57
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 53 PHE HB3 87 VAL QQG 4.24
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 53 PHE HZ 114 VAL QG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=2107,2108,2109,
&end
#
# 53 PHE QD 87 VAL QG1 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1151,1159,
igr2=1703,1704,1705,
&end
#
# 53 PHE QD 89 PHE HZ 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1151,1159,
&end
#
# 53 PHE QE 87 VAL QQG 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=1153,1157,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 53 PHE QE 102 PHE H 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1153,1157,
&end
#
# 54 LYS H 54 LYS HG3 3.57
&rst
ixpk= 0, nxpk= 0, iat=1163,1171, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 54 LYS H 54 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1176,1177,
&end
#
# 54 LYS H 55 GLN H 3.24
&rst
ixpk= 0, nxpk= 0, iat=1163,1185, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 54 LYS H 55 GLN HA 5.44
&rst
ixpk= 0, nxpk= 0, iat=1163,1187, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 54 LYS H 56 ILE H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1163,1202, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 54 LYS H 57 GLY H 5.38
&rst
ixpk= 0, nxpk= 0, iat=1163,1221, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 54 LYS HB2 54 LYS HD3 3.97
&rst
ixpk= 0, nxpk= 0, iat=1167,1174, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 54 LYS HB3 54 LYS HD3 3.88
&rst
ixpk= 0, nxpk= 0, iat=1168,1174, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 54 LYS HB3 59 ILE QD1 4.50
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1260,1261,1262,
&end
#
# 54 LYS HG3 54 LYS QE 3.44
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1176,1177,
&end
#
# 54 LYS HG3 55 GLN HG2 5.33
&rst
ixpk= 0, nxpk= 0, iat=1171,1192, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 GLN H 55 GLN HB2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1185,1189, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 55 GLN H 56 ILE H 3.06
&rst
ixpk= 0, nxpk= 0, iat=1185,1202, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 55 GLN HA 55 GLN HG2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1187,1192, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 55 GLN HA 55 GLN HG3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1187,1193, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 55 GLN HA 56 ILE H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1187,1202, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 55 GLN HB2 56 ILE H 3.83
&rst
ixpk= 0, nxpk= 0, iat=1189,1202, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 55 GLN HB3 55 GLN HE21 4.37
&rst
ixpk= 0, nxpk= 0, iat=1190,1198, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 55 GLN HB3 56 ILE H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1190,1202, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 55 GLN HG2 56 ILE H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1192,1202, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 55 GLN HG3 56 ILE H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1193,1202, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 56 ILE H 56 ILE HG12 3.62
&rst
ixpk= 0, nxpk= 0, iat=1202,1212, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 56 ILE H 56 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1215,1216,1217,
&end
#
# 56 ILE H 57 GLY QA 4.99
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1223,1224,
&end
#
# 56 ILE HA 56 ILE QG2 3.53
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1208,1209,1210,
&end
#
# 56 ILE HB 57 GLY H 3.40
&rst
ixpk= 0, nxpk= 0, iat=1206,1221, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 56 ILE HB 57 GLY QA 4.57
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1223,1224,
&end
#
# 56 ILE HG12 57 GLY H 4.80
&rst
ixpk= 0, nxpk= 0, iat=1212,1221, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 56 ILE HG12 98 ALA HA 4.26
&rst
ixpk= 0, nxpk= 0, iat=1212,1851, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 56 ILE HG12 102 PHE HZ 4.58
&rst
ixpk= 0, nxpk= 0, iat=1212,1926, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 56 ILE HG12 102 PHE QD 4.84
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1922,1930,
&end
#
# 56 ILE HG13 98 ALA HA 3.97
&rst
ixpk= 0, nxpk= 0, iat=1213,1851, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 56 ILE HG13 101 TRP HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat=1213,1895, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 56 ILE HG13 102 PHE QD 4.90
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1922,1930,
&end
#
# 56 ILE QD1 57 GLY H 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 57 GLY QA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1215,1216,1217,
igr2=1223,1224,
&end
#
# 56 ILE QD1 98 ALA H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 98 ALA HA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 98 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1215,1216,1217,
igr2=1853,1854,1855,
&end
#
# 56 ILE QD1 101 TRP H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 101 TRP HB3 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1895, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 101 TRP HE1 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1900, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 102 PHE H 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 102 PHE HZ 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 102 PHE QE 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1215,1216,1217,
igr2=1924,1928,
&end
#
# 56 ILE QG2 56 ILE QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1208,1209,1210,
igr2=1215,1216,1217,
&end
#
# 56 ILE QG2 94 SER QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1208,1209,1210,
igr2=1800,1801,
&end
#
# 56 ILE QG2 95 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 102 PHE QD 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1208,1209,1210,
igr2=1922,1930,
&end
#
# 57 GLY H 58 ILE H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1221,1228, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 57 GLY H 94 SER QB 4.63
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1800,1801,
&end
#
# 57 GLY QA 58 ILE H 2.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,
igr1=1223,1224,
&end
#
# 57 GLY QA 94 SER QB 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1223,1224,
igr2=1800,1801,
&end
#
# 58 ILE H 58 ILE HG12 3.91
&rst
ixpk= 0, nxpk= 0, iat=1228,1238, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 58 ILE H 59 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1228,1247, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 58 ILE H 90 ASP QB 4.26
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1748,1749,
&end
#
# 58 ILE H 94 SER QB 4.77
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1800,1801,
&end
#
# 58 ILE HA 58 ILE HG12 3.70
&rst
ixpk= 0, nxpk= 0, iat=1230,1238, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 58 ILE HA 58 ILE HG13 3.76
&rst
ixpk= 0, nxpk= 0, iat=1230,1239, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 58 ILE HA 58 ILE QG2 3.04
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1234,1235,1236,
&end
#
# 58 ILE HA 90 ASP QB 5.14
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1748,1749,
&end
#
# 58 ILE HB 59 ILE H 4.60
&rst
ixpk= 0, nxpk= 0, iat=1232,1247, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 58 ILE HB 90 ASP HB2 3.96
&rst
ixpk= 0, nxpk= 0, iat=1232,1748, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 58 ILE HB 90 ASP HB3 3.96
&rst
ixpk= 0, nxpk= 0, iat=1232,1749, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 58 ILE QG2 58 ILE HG12 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1238, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1234,1235,1236,
&end
#
# 58 ILE QG2 58 ILE HG13 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1234,1235,1236,
&end
#
# 58 ILE QG2 90 ASP HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1234,1235,1236,
&end
#
# 58 ILE QG2 90 ASP HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1749, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1234,1235,1236,
&end
#
# 58 ILE QG2 90 ASP QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1234,1235,1236,
igr2=1748,1749,
&end
#
# 59 ILE H 87 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 59 ILE H 89 PHE HA 5.10
&rst
ixpk= 0, nxpk= 0, iat=1247,1726, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 59 ILE H 90 ASP H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1247,1744, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 59 ILE HA 59 ILE QG2 3.50
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1253,1254,1255,
&end
#
# 59 ILE HA 87 VAL QQG 5.02
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 59 ILE HA 89 PHE HB2 5.07
&rst
ixpk= 0, nxpk= 0, iat=1249,1728, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 59 ILE HA 89 PHE QD 4.46
&rst
ixpk= 0, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1732,1740,
&end
#
# 59 ILE HB 87 VAL QQG 4.79
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 59 ILE QD1 68 PRO HB3 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1260,1261,1262,
&end
#
# 59 ILE QD1 87 VAL QQG 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1260,1261,1262,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 59 ILE QG1 60 LYS H 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1257,1258,
&end
#
# 59 ILE QG1 87 VAL QQG 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=1257,1258,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 59 ILE QG2 59 ILE QG1 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1253,1254,1255,
igr2=1257,1258,
&end
#
# 59 ILE QG2 68 PRO QG 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=1253,1254,1255,
igr2=1402,1403,
&end
#
# 59 ILE QG2 87 VAL QQG 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1253,1254,1255,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 59 ILE QG2 89 PHE HA 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1253,1254,1255,
&end
#
# 60 LYS H 69 MET QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1423,1424,1425,
&end
#
# 60 LYS H 87 VAL QQG 4.82
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 60 LYS H 89 PHE H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1266,1724, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 60 LYS H 89 PHE HB3 4.67
&rst
ixpk= 0, nxpk= 0, iat=1266,1729, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 60 LYS H 90 ASP QB 4.66
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1748,1749,
&end
#
# 60 LYS HA 90 ASP H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1268,1744, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 60 LYS HA 90 ASP HB2 4.64
&rst
ixpk= 0, nxpk= 0, iat=1268,1748, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 LYS HA 90 ASP QB 4.06
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1748,1749,
&end
#
# 60 LYS HB2 90 ASP H 4.28
&rst
ixpk= 0, nxpk= 0, iat=1270,1744, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 60 LYS HB3 60 LYS QD 3.71
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1276,1277,
&end
#
# 60 LYS HB3 60 LYS QE 4.45
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1279,1280,
&end
#
# 60 LYS HB3 69 MET QE 4.29
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1423,1424,1425,
&end
#
# 60 LYS HB3 90 ASP H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1271,1744, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 60 LYS HB3 90 ASP HA 4.29
&rst
ixpk= 0, nxpk= 0, iat=1271,1746, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 60 LYS HG3 69 MET QE 3.93
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1423,1424,1425,
&end
#
# 60 LYS HG3 90 ASP HA 4.11
&rst
ixpk= 0, nxpk= 0, iat=1274,1746, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 60 LYS QD 90 ASP HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1276,1277,
&end
#
# 60 LYS QE 69 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=1279,1280,
igr2=1423,1424,1425,
&end
#
# 60 LYS QE 90 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=1279,1280,
igr2=1748,1749,
&end
#
# 61 THR H 62 ASN H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1288,1302, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 61 THR HA 61 THR QG2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1294,1295,1296,
&end
#
# 61 THR HB 62 ASN H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1292,1302, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 61 THR QG2 63 LYS HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1294,1295,1296,
&end
#
# 61 THR QG2 67 GLN HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1294,1295,1296,
&end
#
# 62 ASN H 62 ASN HD22 5.37
&rst
ixpk= 0, nxpk= 0, iat=1302,1311, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 62 ASN H 67 GLN H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1302,1381, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 62 ASN H 67 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1302,1394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 ASN HA 62 ASN HD21 4.29
&rst
ixpk= 0, nxpk= 0, iat=1304,1312, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 62 ASN HB2 62 ASN HD22 3.91
&rst
ixpk= 0, nxpk= 0, iat=1306,1311, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 62 ASN HB2 63 LYS H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1306,1316, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 62 ASN HB2 64 LYS H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1306,1338, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 62 ASN HB2 65 THR H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1306,1360, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 62 ASN HB2 69 MET HG2 5.41
&rst
ixpk= 0, nxpk= 0, iat=1306,1419, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 62 ASN HB2 69 MET HG3 5.01
&rst
ixpk= 0, nxpk= 0, iat=1306,1420, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 62 ASN HB2 69 MET QE 4.47
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1423,1424,1425,
&end
#
# 62 ASN HB3 63 LYS H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1307,1316, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 62 ASN HB3 64 LYS H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1307,1338, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 62 ASN HB3 65 THR H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1307,1360, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 62 ASN HB3 66 GLY H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1307,1374, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 62 ASN HD21 63 LYS H 5.24
&rst
ixpk= 0, nxpk= 0, iat=1312,1316, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 62 ASN HD21 64 LYS H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1312,1338, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 62 ASN HD21 65 THR QG2 4.90
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1366,1367,1368,
&end
#
# 62 ASN HD21 69 MET QE 4.41
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1423,1424,1425,
&end
#
# 62 ASN HD22 64 LYS H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1311,1338, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 62 ASN HD22 65 THR H 5.17
&rst
ixpk= 0, nxpk= 0, iat=1311,1360, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 63 LYS H 63 LYS QD 4.57
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1326,1327,
&end
#
# 63 LYS H 63 LYS QG 4.12
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1323,1324,
&end
#
# 63 LYS H 65 THR H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1316,1360, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 63 LYS HA 63 LYS QB 2.91
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
igr2=1320,1321,
&end
#
# 63 LYS HA 65 THR H 5.01
&rst
ixpk= 0, nxpk= 0, iat=1318,1360, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 64 LYS H 64 LYS HG3 3.83
&rst
ixpk= 0, nxpk= 0, iat=1338,1346, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 64 LYS H 64 LYS QE 5.25
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2=1351,1352,
&end
#
# 64 LYS H 64 LYS QG 3.31
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1345,1346,
&end
#
# 64 LYS H 65 THR HG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1338,1370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 LYS H 65 THR QG2 4.34
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1366,1367,1368,
&end
#
# 64 LYS H 66 GLY H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1338,1374, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 64 LYS HG2 65 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1345,1360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 64 LYS HG3 65 THR H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1346,1360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 64 LYS QD 65 THR H 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1348,1349,
&end
#
# 64 LYS QG 65 THR H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1345,1346,
&end
#
# 64 LYS QG 65 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=1345,1346,
igr2=1366,1367,1368,
&end
#
# 65 THR HB 67 GLN HB3 4.89
&rst
ixpk= 0, nxpk= 0, iat=1364,1386, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 65 THR HB 67 GLN HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1364,1388, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 65 THR QG2 66 GLY H 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1366,1367,1368,
&end
#
# 66 GLY H 67 GLN H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1374,1381, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 66 GLY H 67 GLN HG3 4.61
&rst
ixpk= 0, nxpk= 0, iat=1374,1389, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 67 GLN H 67 GLN HG3 3.31
&rst
ixpk= 0, nxpk= 0, iat=1381,1389, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 67 GLN H 68 PRO HD2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1381,1399, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 67 GLN HA 67 GLN HG2 4.04
&rst
ixpk= 0, nxpk= 0, iat=1383,1388, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 67 GLN HA 68 PRO HD2 3.31
&rst
ixpk= 0, nxpk= 0, iat=1383,1399, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 67 GLN HA 68 PRO HD3 3.45
&rst
ixpk= 0, nxpk= 0, iat=1383,1400, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 67 GLN HA 68 PRO QG 4.69
&rst
ixpk= 0, nxpk= 0, iat=1383, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1402,1403,
&end
#
# 67 GLN HB2 67 GLN HE22 4.77
&rst
ixpk= 0, nxpk= 0, iat=1385,1393, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 67 GLN HB2 68 PRO HD3 4.20
&rst
ixpk= 0, nxpk= 0, iat=1385,1400, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 67 GLN HB3 68 PRO HD3 4.33
&rst
ixpk= 0, nxpk= 0, iat=1386,1400, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 67 GLN HE21 69 MET H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1394,1412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 GLN HG2 68 PRO HD2 4.86
&rst
ixpk= 0, nxpk= 0, iat=1388,1399, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 67 GLN HG3 68 PRO HD3 5.29
&rst
ixpk= 0, nxpk= 0, iat=1389,1400, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 68 PRO HB3 87 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 68 PRO QG 70 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=1402,1403,
igr2=1442,1443,1444,
&end
#
# 69 MET H 70 ILE H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1412,1429, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 69 MET H 87 VAL QQG 4.97
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 69 MET H 88 SER H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1412,1713, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 69 MET HA 69 MET HG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1414,1419, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 69 MET HA 69 MET QE 4.55
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1423,1424,1425,
&end
#
# 69 MET HA 88 SER H 5.09
&rst
ixpk= 0, nxpk= 0, iat=1414,1713, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 69 MET HB2 87 VAL QQG 5.17
&rst
ixpk= 0, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 69 MET HG2 88 SER H 5.20
&rst
ixpk= 0, nxpk= 0, iat=1419,1713, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 69 MET HG3 70 ILE H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1420,1429, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 69 MET HG3 88 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1420,1713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 MET QE 88 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=1423,1424,1425,
igr2=1717,1718,
&end
#
# 70 ILE HA 70 ILE QG1 3.35
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1439,1440,
&end
#
# 70 ILE HA 70 ILE QG2 3.36
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1435,1436,1437,
&end
#
# 70 ILE HA 87 VAL HA 3.70
&rst
ixpk= 0, nxpk= 0, iat=1431,1699, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 70 ILE HA 87 VAL QQG 3.77
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 70 ILE HG13 87 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1703,1704,1705,
&end
#
# 70 ILE QD1 87 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=1442,1443,1444,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 70 ILE QG1 71 ASN H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1439,1440,
&end
#
# 70 ILE QG1 87 VAL HA 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1439,1440,
&end
#
# 70 ILE QG1 88 SER H 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1439,1440,
&end
#
# 70 ILE QG2 70 ILE HG12 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1439, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1435,1436,1437,
&end
#
# 70 ILE QG2 87 VAL HA 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1435,1436,1437,
&end
#
# 70 ILE QG2 87 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=1435,1436,1437,
igr2=1703,1704,1705,
&end
#
# 70 ILE QG2 87 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=1435,1436,1437,
igr2=1707,1708,1709,
&end
#
# 70 ILE QG2 87 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=1435,1436,1437,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 71 ASN H 71 ASN HB3 3.87
&rst
ixpk= 0, nxpk= 0, iat=1448,1453, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 71 ASN H 71 ASN HD21 4.42
&rst
ixpk= 0, nxpk= 0, iat=1448,1458, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 71 ASN H 72 LEU H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1448,1462, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 71 ASN H 72 LEU QQD 5.11
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 71 ASN H 87 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1703,1704,1705,
&end
#
# 71 ASN H 87 VAL QQG 4.28
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 71 ASN HA 72 LEU QQD 5.08
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 71 ASN HA 86 THR H 5.11
&rst
ixpk= 0, nxpk= 0, iat=1450,1683, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 71 ASN HB2 72 LEU H 4.66
&rst
ixpk= 0, nxpk= 0, iat=1452,1462, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 72 LEU H 72 LEU QQD 3.39
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 72 LEU H 73 TYR H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1462,1481, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 72 LEU H 73 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1491,1496,
&end
#
# 72 LEU HA 72 LEU QD2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1475,1476,1477,
&end
#
# 72 LEU HA 72 LEU QQD 3.39
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1471,1472,1473,1475,1476,1477,
&end
#
# 72 LEU HA 81 LEU QQD 5.42
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 72 LEU HA 85 ALA QB 3.83
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1677,1678,1679,
&end
#
# 72 LEU HB2 72 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1471,1472,1473,
&end
#
# 72 LEU HB2 81 LEU QQD 4.40
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 72 LEU HB3 72 LEU QD2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1475,1476,1477,
&end
#
# 72 LEU HB3 81 LEU QQD 3.50
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 72 LEU QQD 73 TYR H 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1471,1472,1473,1475,1476,1477,
&end
#
# 72 LEU QQD 81 LEU QQD 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=1471,1472,1473,1475,1476,1477,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 72 LEU QQD 83 GLY H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1471,1472,1473,1475,1476,1477,
&end
#
# 72 LEU QQD 85 ALA HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1471,1472,1473,1475,1476,1477,
&end
#
# 72 LEU QQD 85 ALA QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1471,1472,1473,1475,1476,1477,
igr2=1677,1678,1679,
&end
#
# 72 LEU QQD 86 THR H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr1=1471,1472,1473,1475,1476,1477,
&end
#
# 73 TYR H 74 THR H 5.02
&rst
ixpk= 0, nxpk= 0, iat=1481,1502, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 73 TYR H 81 LEU QQD 5.15
&rst
ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 73 TYR H 84 GLU QB 4.87
&rst
ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1662,1663,
&end
#
# 73 TYR HA 73 TYR QE 4.72
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1491,1496,
&end
#
# 73 TYR HB3 74 THR H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1486,1502, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 73 TYR QB 74 THR H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1485,1486,
&end
#
# 73 TYR QB 83 GLY H 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1485,1486,
&end
#
# 73 TYR QB 84 GLU H 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1485,1486,
&end
#
# 73 TYR QB 84 GLU QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1485,1486,
igr2=1662,1663,
&end
#
# 73 TYR QD 74 THR H 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1502, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1489,1498,
&end
#
# 73 TYR QD 84 GLU QB 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1489,1498,
igr2=1662,1663,
&end
#
# 73 TYR QD 85 ALA H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1=1489,1498,
&end
#
# 73 TYR QD 85 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1489,1498,
igr2=1677,1678,1679,
&end
#
# 73 TYR QE 84 GLU HB3 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1663, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1491,1496,
&end
#
# 73 TYR QE 84 GLU QB 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1491,1496,
igr2=1662,1663,
&end
#
# 73 TYR QE 85 ALA HA 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1491,1496,
&end
#
# 73 TYR QE 85 ALA QB 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1491,1496,
igr2=1677,1678,1679,
&end
#
# 74 THR H 74 THR HB 3.97
&rst
ixpk= 0, nxpk= 0, iat=1502,1506, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 74 THR H 82 LYS QD 4.92
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1639,1640,
&end
#
# 74 THR HA 74 THR QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1508,1509,1510,
&end
#
# 74 THR HA 81 LEU HA 3.45
&rst
ixpk= 0, nxpk= 0, iat=1504,1612, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 74 THR HA 81 LEU QB 5.30
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1614,1615,
&end
#
# 74 THR HA 81 LEU QQD 3.91
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 74 THR HA 82 LYS QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=1504, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1633,1634,
&end
#
# 74 THR HB 81 LEU HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=1506,1612, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 74 THR HB 81 LEU QQD 4.83
&rst
ixpk= 0, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 74 THR HB 82 LYS H 5.36
&rst
ixpk= 0, nxpk= 0, iat=1506,1629, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 74 THR HB 82 LYS QD 5.34
&rst
ixpk= 0, nxpk= 0, iat=1506, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1639,1640,
&end
#
# 74 THR QG2 81 LEU QB 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1508,1509,1510,
igr2=1614,1615,
&end
#
# 74 THR QG2 81 LEU QQD 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1508,1509,1510,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 75 ASP H 78 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1516,1567, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ASP H 79 GLY H 4.13
&rst
ixpk= 0, nxpk= 0, iat=1516,1581, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 75 ASP H 80 LYS H 3.72
&rst
ixpk= 0, nxpk= 0, iat=1516,1588, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 75 ASP H 81 LEU QQD 4.97
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 75 ASP H 82 LYS H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1516,1629, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 75 ASP H 82 LYS HG3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1516,1637, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 75 ASP H 82 LYS QD 3.94
&rst
ixpk= 0, nxpk= 0, iat=1516, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1639,1640,
&end
#
# 75 ASP HA 82 LYS QD 3.62
&rst
ixpk= 0, nxpk= 0, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1639,1640,
&end
#
# 75 ASP HB2 76 ARG H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1520,1528, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 75 ASP HB2 78 THR H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1520,1567, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 75 ASP HB2 82 LYS QD 4.24
&rst
ixpk= 0, nxpk= 0, iat=1520, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1639,1640,
&end
#
# 76 ARG H 76 ARG QB 3.29
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1532,1533,
&end
#
# 76 ARG H 76 ARG QG 4.30
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1535,1536,
&end
#
# 76 ARG HA 76 ARG QD 4.22
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1538,1539,
&end
#
# 76 ARG HA 76 ARG QG 3.64
&rst
ixpk= 0, nxpk= 0, iat=1530, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1535,1536,
&end
#
# 76 ARG HA 78 THR H 4.63
&rst
ixpk= 0, nxpk= 0, iat=1530,1567, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 76 ARG QB 76 ARG QD 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1532,1533,
igr2=1538,1539,
&end
#
# 76 ARG QB 76 ARG QG 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1532,1533,
igr2=1535,1536,
&end
#
# 76 ARG QB 77 GLU H 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1552, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1532,1533,
&end
#
# 76 ARG QB 77 GLU QG 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1532,1533,
igr2=1559,1560,
&end
#
# 76 ARG QB 78 THR H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1532,1533,
&end
#
# 76 ARG QG 76 ARG QD 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1535,1536,
igr2=1538,1539,
&end
#
# 77 GLU H 77 GLU HA 2.93
&rst
ixpk= 0, nxpk= 0, iat=1552,1554, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 77 GLU H 77 GLU QG 3.25
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1559,1560,
&end
#
# 77 GLU HA 77 GLU HG2 3.68
&rst
ixpk= 0, nxpk= 0, iat=1554,1559, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 77 GLU HA 77 GLU QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1556,1557,
&end
#
# 77 GLU HA 77 GLU QG 3.22
&rst
ixpk= 0, nxpk= 0, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2=1559,1560,
&end
#
# 77 GLU QB 78 THR HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1569, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1556,1557,
&end
#
# 77 GLU QG 78 THR H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1559,1560,
&end
#
# 77 GLU QG 78 THR QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1559,1560,
igr2=1573,1574,1575,
&end
#
# 78 THR H 78 THR HB 3.88
&rst
ixpk= 0, nxpk= 0, iat=1567,1571, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 78 THR HA 80 LYS QG 4.63
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1595,1596,
&end
#
# 78 THR HB 80 LYS QE 4.95
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1601,1602,
&end
#
# 78 THR QG2 79 GLY H 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1573,1574,1575,
&end
#
# 78 THR QG2 80 LYS QD 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1573,1574,1575,
igr2=1598,1599,
&end
#
# 79 GLY H 80 LYS H 2.92
&rst
ixpk= 0, nxpk= 0, iat=1581,1588, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 80 LYS H 81 LEU H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1588,1610, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 80 LYS HA 80 LYS QG 3.38
&rst
ixpk= 0, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1595,1596,
&end
#
# 80 LYS HB3 80 LYS QE 4.75
&rst
ixpk= 0, nxpk= 0, iat=1593, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1601,1602,
&end
#
# 81 LEU H 81 LEU QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=1610, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2=1614,1615,
&end
#
# 81 LEU H 82 LYS H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1610,1629, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 81 LEU HA 81 LEU HG 3.98
&rst
ixpk= 0, nxpk= 0, iat=1612,1617, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 81 LEU HA 81 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1623,1624,1625,
&end
#
# 81 LEU HA 81 LEU QQD 3.18
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 81 LEU HB3 81 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1615, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1619,1620,1621,
&end
#
# 81 LEU QB 81 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=1614,1615,
igr2=1619,1620,1621,1623,1624,1625,
&end
#
# 81 LEU QB 83 GLY H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1614,1615,
&end
#
# 81 LEU QQD 82 LYS H 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 81 LEU QQD 83 GLY H 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 81 LEU QQD 83 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=1619,1620,1621,1623,1624,1625,
igr2=1653,1654,
&end
#
# 81 LEU QQD 84 GLU H 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr1=1619,1620,1621,1623,1624,1625,
&end
#
# 82 LYS H 82 LYS QB 3.24
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1633,1634,
&end
#
# 82 LYS H 82 LYS QD 4.75
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1639,1640,
&end
#
# 82 LYS H 82 LYS QE 5.34
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1642,1643,
&end
#
# 82 LYS H 83 GLY QA 5.17
&rst
ixpk= 0, nxpk= 0, iat=1629, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1653,1654,
&end
#
# 82 LYS HA 82 LYS QD 3.58
&rst
ixpk= 0, nxpk= 0, iat=1631, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1639,1640,
&end
#
# 82 LYS HG2 82 LYS QE 3.67
&rst
ixpk= 0, nxpk= 0, iat=1636, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1642,1643,
&end
#
# 82 LYS QB 82 LYS QE 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1633,1634,
igr2=1642,1643,
&end
#
# 82 LYS QB 83 GLY H 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1651, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1633,1634,
&end
#
# 82 LYS QB 84 GLU H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1633,1634,
&end
#
# 84 GLU H 84 GLU HB2 4.14
&rst
ixpk= 0, nxpk= 0, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 84 GLU H 84 GLU QB 3.53
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1662,1663,
&end
#
# 84 GLU QB 85 ALA H 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1662,1663,
&end
#
# 85 ALA H 86 THR H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1673,1683, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 85 ALA HA 87 VAL QQG 5.44
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 85 ALA QB 86 THR HA 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1677,1678,1679,
&end
#
# 85 ALA QB 87 VAL QQG 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1677,1678,1679,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 86 THR H 87 VAL QQG 4.66
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 86 THR HA 86 THR QG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1689,1690,1691,
&end
#
# 86 THR HA 87 VAL QQG 4.70
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 86 THR HA 117 ALA QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1685, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=2148,2149,2150,
&end
#
# 87 VAL H 87 VAL QG1 4.07
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1703,1704,1705,
&end
#
# 87 VAL H 87 VAL QQG 3.27
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1703,1704,1705,1707,1708,1709,
&end
#
# 87 VAL HA 87 VAL QG1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1703,1704,1705,
&end
#
# 87 VAL HA 87 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat=1699, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1707,1708,1709,
&end
#
# 87 VAL HB 88 SER H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1701,1713, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 87 VAL QG1 89 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1703,1704,1705,
igr2=1734,1738,
&end
#
# 87 VAL QG2 88 SER H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1707,1708,1709,
&end
#
# 87 VAL QG2 89 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1707,1708,1709,
igr2=1734,1738,
&end
#
# 87 VAL QQG 88 SER H 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1703,1704,1705,1707,1708,1709,
&end
#
# 87 VAL QQG 89 PHE H 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1=1703,1704,1705,1707,1708,1709,
&end
#
# 87 VAL QQG 89 PHE HA 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1726, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1703,1704,1705,1707,1708,1709,
&end
#
# 87 VAL QQG 89 PHE HZ 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1703,1704,1705,1707,1708,1709,
&end
#
# 87 VAL QQG 89 PHE QD 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
igr1=1703,1704,1705,1707,1708,1709,
igr2=1732,1740,
&end
#
# 87 VAL QQG 89 PHE QE 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1=1703,1704,1705,1707,1708,1709,
igr2=1734,1738,
&end
#
# 88 SER H 89 PHE H 4.58
&rst
ixpk= 0, nxpk= 0, iat=1713,1724, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 89 PHE H 90 ASP H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1724,1744, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 89 PHE H 91 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1724,1756, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 PHE HB2 90 ASP H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1728,1744, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 89 PHE HB2 94 SER QB 4.68
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1800,1801,
&end
#
# 89 PHE HB2 95 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1728,1807, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 89 PHE HB3 94 SER HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat=1729,1801, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 89 PHE HB3 94 SER QB 4.03
&rst
ixpk= 0, nxpk= 0, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1800,1801,
&end
#
# 89 PHE HB3 95 ALA QB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1729, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1811,1812,1813,
&end
#
# 89 PHE QD 90 ASP H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1732,1740,
&end
#
# 89 PHE QD 94 SER H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1732,1740,
&end
#
# 89 PHE QD 94 SER QB 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1732,1740,
igr2=1800,1801,
&end
#
# 89 PHE QD 95 ALA QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1732,1740,
igr2=1811,1812,1813,
&end
#
# 90 ASP H 90 ASP QB 2.83
&rst
ixpk= 0, nxpk= 0, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2=1748,1749,
&end
#
# 90 ASP H 91 ASP H 3.39
&rst
ixpk= 0, nxpk= 0, iat=1744,1756, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 90 ASP H 94 SER QB 4.89
&rst
ixpk= 0, nxpk= 0, iat=1744, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1800,1801,
&end
#
# 90 ASP QB 91 ASP H 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1=1748,1749,
&end
#
# 91 ASP H 94 SER QB 3.88
&rst
ixpk= 0, nxpk= 0, iat=1756, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1800,1801,
&end
#
# 91 ASP HA 92 PRO HD2 3.79
&rst
ixpk= 0, nxpk= 0, iat=1758,1769, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 91 ASP HA 92 PRO HD3 4.01
&rst
ixpk= 0, nxpk= 0, iat=1758,1770, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 91 ASP HA 93 PRO HD3 5.03
&rst
ixpk= 0, nxpk= 0, iat=1758,1784, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 91 ASP HA 93 PRO QD 4.36
&rst
ixpk= 0, nxpk= 0, iat=1758, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1783,1784,
&end
#
# 91 ASP HB2 93 PRO HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1760,1783, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 91 ASP HB2 93 PRO HD3 4.77
&rst
ixpk= 0, nxpk= 0, iat=1760,1784, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 91 ASP HB3 93 PRO HD3 4.77
&rst
ixpk= 0, nxpk= 0, iat=1761,1784, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 91 ASP QB 92 PRO HD2 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1769, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1760,1761,
&end
#
# 91 ASP QB 92 PRO HD3 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1770, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1760,1761,
&end
#
# 91 ASP QB 93 PRO QD 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1760,1761,
igr2=1783,1784,
&end
#
# 91 ASP QB 94 SER H 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1760,1761,
&end
#
# 91 ASP QB 94 SER QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1760,1761,
igr2=1800,1801,
&end
#
# 92 PRO HD2 93 PRO QD 4.29
&rst
ixpk= 0, nxpk= 0, iat=1769, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1783,1784,
&end
#
# 92 PRO HD3 93 PRO QD 4.33
&rst
ixpk= 0, nxpk= 0, iat=1770, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1783,1784,
&end
#
# 92 PRO QB 93 PRO QD 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1775,1776,
igr2=1783,1784,
&end
#
# 93 PRO HD2 94 SER H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1783,1796, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 93 PRO HG2 94 SER H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1786,1796, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 93 PRO QD 94 SER H 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1783,1784,
&end
#
# 94 SER H 94 SER QB 2.95
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1800,1801,
&end
#
# 94 SER H 96 LYS H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1796,1817, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 94 SER H 97 ALA QB 5.04
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1843,1844,1845,
&end
#
# 94 SER HA 96 LYS H 4.61
&rst
ixpk= 0, nxpk= 0, iat=1798,1817, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 94 SER HB2 97 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat=1800, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1843,1844,1845,
&end
#
# 94 SER HB3 95 ALA H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1801,1807, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 94 SER QB 95 ALA H 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1800,1801,
&end
#
# 94 SER QB 96 LYS H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1800,1801,
&end
#
# 94 SER QB 98 ALA H 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1800,1801,
&end
#
# 94 SER QB 98 ALA QB 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr1=1800,1801,
igr2=1853,1854,1855,
&end
#
# 95 ALA H 96 LYS H 3.07
&rst
ixpk= 0, nxpk= 0, iat=1807,1817, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 95 ALA H 97 ALA H 4.43
&rst
ixpk= 0, nxpk= 0, iat=1807,1839, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 95 ALA H 97 ALA QB 5.17
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1843,1844,1845,
&end
#
# 95 ALA H 98 ALA H 4.75
&rst
ixpk= 0, nxpk= 0, iat=1807,1849, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 95 ALA QB 99 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=1811,1812,1813,
igr2=1872,1873,1874,
&end
#
# 96 LYS H 96 LYS QD 4.68
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1827,1828,
&end
#
# 96 LYS H 97 ALA H 3.06
&rst
ixpk= 0, nxpk= 0, iat=1817,1839, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 96 LYS H 97 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1817,1841, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS H 97 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1843,1844,1845,
&end
#
# 96 LYS H 98 ALA H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1817,1849, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 96 LYS HA 96 LYS QG 3.61
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1824,1825,
&end
#
# 96 LYS HA 98 ALA H 4.53
&rst
ixpk= 0, nxpk= 0, iat=1819,1849, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 96 LYS HA 99 ILE QD1 3.71
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1872,1873,1874,
&end
#
# 96 LYS HB2 97 ALA H 3.93
&rst
ixpk= 0, nxpk= 0, iat=1821,1839, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 96 LYS HB3 98 ALA H 5.18
&rst
ixpk= 0, nxpk= 0, iat=1822,1849, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 96 LYS QD 99 ILE QD1 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1827,1828,
igr2=1872,1873,1874,
&end
#
# 96 LYS QD 100 ASP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1827,1828,
&end
#
# 96 LYS QE 99 ILE QD1 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1830,1831,
igr2=1872,1873,1874,
&end
#
# 96 LYS QE 100 ASP H 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1830,1831,
&end
#
# 96 LYS QE 116 PHE HZ 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1830,1831,
&end
#
# 96 LYS QE 116 PHE QE 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1830,1831,
igr2=2134,2138,
&end
#
# 96 LYS QG 96 LYS HE2 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1830, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1824,1825,
&end
#
# 96 LYS QG 96 LYS HE3 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1831, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1824,1825,
&end
#
# 96 LYS QG 96 LYS QE 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1824,1825,
igr2=1830,1831,
&end
#
# 96 LYS QG 99 ILE QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1=1824,1825,
igr2=1872,1873,1874,
&end
#
# 97 ALA H 98 ALA H 3.03
&rst
ixpk= 0, nxpk= 0, iat=1839,1849, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 97 ALA H 98 ALA HA 5.38
&rst
ixpk= 0, nxpk= 0, iat=1839,1851, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 97 ALA H 100 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1839,1882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ALA HA 101 TRP H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1841,1890, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 98 ALA H 99 ILE H 3.23
&rst
ixpk= 0, nxpk= 0, iat=1849,1859, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 98 ALA QB 99 ILE QD1 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1853,1854,1855,
igr2=1872,1873,1874,
&end
#
# 99 ILE H 99 ILE HG12 3.86
&rst
ixpk= 0, nxpk= 0, iat=1859,1869, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 99 ILE H 99 ILE QD1 3.42
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1872,1873,1874,
&end
#
# 99 ILE H 100 ASP H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1859,1878, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 99 ILE H 114 VAL QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=2103,2104,2105,
&end
#
# 99 ILE HA 99 ILE HG12 4.18
&rst
ixpk= 0, nxpk= 0, iat=1861,1869, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 99 ILE HA 99 ILE HG13 4.20
&rst
ixpk= 0, nxpk= 0, iat=1861,1870, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 99 ILE HA 99 ILE QD1 4.31
&rst
ixpk= 0, nxpk= 0, iat=1861, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1872,1873,1874,
&end
#
# 99 ILE HA 99 ILE QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat=1861, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1865,1866,1867,
&end
#
# 99 ILE HA 103 ASP HB2 4.82
&rst
ixpk= 0, nxpk= 0, iat=1861,1938, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 99 ILE HA 114 VAL HB 4.14
&rst
ixpk= 0, nxpk= 0, iat=1861,2101, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 99 ILE HA 114 VAL QG1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1861, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=2103,2104,2105,
&end
#
# 99 ILE HA 114 VAL QG2 4.38
&rst
ixpk= 0, nxpk= 0, iat=1861, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=2107,2108,2109,
&end
#
# 99 ILE HA 115 SER H 4.93
&rst
ixpk= 0, nxpk= 0, iat=1861,2113, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 99 ILE HB 99 ILE QD1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1863, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1872,1873,1874,
&end
#
# 99 ILE HG12 114 VAL QG1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1869, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2103,2104,2105,
&end
#
# 99 ILE HG12 116 PHE H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1869,2124, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 99 ILE HG13 114 VAL QG1 4.40
&rst
ixpk= 0, nxpk= 0, iat=1870, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2103,2104,2105,
&end
#
# 99 ILE HG13 115 SER H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1870,2113, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 99 ILE HG13 115 SER HA 4.59
&rst
ixpk= 0, nxpk= 0, iat=1870,2115, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 99 ILE HG13 116 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1870,2124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ILE QD1 100 ASP H 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1872,1873,1874,
&end
#
# 99 ILE QD1 114 VAL QG1 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1872,1873,1874,
igr2=2103,2104,2105,
&end
#
# 99 ILE QD1 115 SER H 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1872,1873,1874,
&end
#
# 99 ILE QD1 115 SER HA 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1872,1873,1874,
&end
#
# 99 ILE QD1 115 SER HB3 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2118, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1872,1873,1874,
&end
#
# 99 ILE QD1 115 SER QB 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1872,1873,1874,
igr2=2117,2118,
&end
#
# 99 ILE QD1 116 PHE HA 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2126, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1872,1873,1874,
&end
#
# 99 ILE QD1 116 PHE HZ 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1872,1873,1874,
&end
#
# 99 ILE QD1 116 PHE QD 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1872,1873,1874,
igr2=2132,2140,
&end
#
# 99 ILE QD1 117 ALA H 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1872,1873,1874,
&end
#
# 99 ILE QG2 99 ILE HG12 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1869, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1=1865,1866,1867,
&end
#
# 99 ILE QG2 103 ASP HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1936, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1865,1866,1867,
&end
#
# 99 ILE QG2 114 VAL HB 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1865,1866,1867,
&end
#
# 99 ILE QG2 115 SER QB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1=1865,1866,1867,
igr2=2117,2118,
&end
#
# 100 ASP H 114 VAL QG1 5.36
&rst
ixpk= 0, nxpk= 0, iat=1878, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=2103,2104,2105,
&end
#
# 101 TRP H 101 TRP HD1 4.90
&rst
ixpk= 0, nxpk= 0, iat=1890,1898, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 101 TRP H 101 TRP HE3 5.14
&rst
ixpk= 0, nxpk= 0, iat=1890,1909, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 101 TRP HA 101 TRP HZ3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1892,1907, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 101 TRP HE1 102 PHE H 5.31
&rst
ixpk= 0, nxpk= 0, iat=1900,1914, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 101 TRP HE1 105 LYS QE 4.55
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2=1966,1967,
&end
#
# 101 TRP HZ2 105 LYS QE 4.51
&rst
ixpk= 0, nxpk= 0, iat=1903, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1966,1967,
&end
#
# 102 PHE H 102 PHE QD 3.54
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1922,1930,
&end
#
# 102 PHE H 102 PHE QE 4.63
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1924,1928,
&end
#
# 102 PHE HA 105 LYS HB2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1916,1957, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 102 PHE HA 105 LYS HB3 4.48
&rst
ixpk= 0, nxpk= 0, iat=1916,1958, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 102 PHE HB2 114 VAL QG1 4.69
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=2103,2104,2105,
&end
#
# 102 PHE QD 105 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1922,1930,
&end
#
# 102 PHE QD 105 LYS HB2 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1957, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1922,1930,
&end
#
# 102 PHE QD 105 LYS HG3 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1961, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1922,1930,
&end
#
# 103 ASP H 104 GLY H 4.30
&rst
ixpk= 0, nxpk= 0, iat=1934,1946, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 103 ASP H 114 VAL H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1934,2097, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 103 ASP H 114 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=2103,2104,2105,
&end
#
# 103 ASP HA 113 LYS HA 4.28
&rst
ixpk= 0, nxpk= 0, iat=1936,2077, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 103 ASP HA 113 LYS QG 5.34
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2082,2083,
&end
#
# 103 ASP HA 114 VAL HB 3.98
&rst
ixpk= 0, nxpk= 0, iat=1936,2101, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 103 ASP HA 114 VAL QG2 3.58
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2107,2108,2109,
&end
#
# 103 ASP HB2 104 GLY H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1938,1946, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 103 ASP HB2 114 VAL QG2 4.92
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=2107,2108,2109,
&end
#
# 103 ASP HB3 104 GLY H 4.54
&rst
ixpk= 0, nxpk= 0, iat=1939,1946, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 103 ASP HB3 114 VAL H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1939,2097, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 104 GLY H 105 LYS H 3.20
&rst
ixpk= 0, nxpk= 0, iat=1946,1953, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 104 GLY H 112 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1946,2066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLY H 114 VAL H 3.78
&rst
ixpk= 0, nxpk= 0, iat=1946,2097, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 105 LYS HA 105 LYS HD3 4.47
&rst
ixpk= 0, nxpk= 0, iat=1955,1964, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 105 LYS HA 105 LYS QE 5.17
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1966,1967,
&end
#
# 105 LYS HA 106 GLU QG 4.86
&rst
ixpk= 0, nxpk= 0, iat=1955, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1982,1983,
&end
#
# 105 LYS HB3 105 LYS HD2 4.15
&rst
ixpk= 0, nxpk= 0, iat=1958,1963, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 105 LYS HB3 105 LYS QE 3.77
&rst
ixpk= 0, nxpk= 0, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1966,1967,
&end
#
# 105 LYS HB3 106 GLU HA 5.24
&rst
ixpk= 0, nxpk= 0, iat=1958,1977, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 105 LYS HB3 106 GLU QG 4.91
&rst
ixpk= 0, nxpk= 0, iat=1958, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1982,1983,
&end
#
# 105 LYS HG2 105 LYS QE 3.34
&rst
ixpk= 0, nxpk= 0, iat=1960, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1966,1967,
&end
#
# 105 LYS HG3 105 LYS QE 3.60
&rst
ixpk= 0, nxpk= 0, iat=1961, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1966,1967,
&end
#
# 105 LYS QE 106 GLU H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1966,1967,
&end
#
# 106 GLU H 106 GLU QB 2.90
&rst
ixpk= 0, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1979,1980,
&end
#
# 106 GLU H 106 GLU QG 3.61
&rst
ixpk= 0, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1982,1983,
&end
#
# 106 GLU H 107 PHE H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1975,1990, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 106 GLU HB2 107 PHE H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1979,1990, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 106 GLU QB 107 PHE H 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1990, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1=1979,1980,
&end
#
# 106 GLU QB 109 GLY H 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1979,1980,
&end
#
# 106 GLU QB 109 GLY HA2 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2023, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1979,1980,
&end
#
# 106 GLU QB 109 GLY HA3 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2024, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1979,1980,
&end
#
# 106 GLU QB 110 ASN H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1979,1980,
&end
#
# 107 PHE H 107 PHE QD 4.27
&rst
ixpk= 0, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1998,2006,
&end
#
# 107 PHE HA 107 PHE QD 3.96
&rst
ixpk= 0, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1998,2006,
&end
#
# 107 PHE HA 112 ILE QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=2062,2063,2064,
&end
#
# 107 PHE HB2 112 ILE QD1 4.22
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=2069,2070,2071,
&end
#
# 107 PHE HB2 112 ILE QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat=1994, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2062,2063,2064,
&end
#
# 107 PHE HB3 109 GLY H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1995,2021, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 107 PHE HB3 110 ASN H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1995,2028, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 107 PHE HB3 112 ILE QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2062,2063,2064,
&end
#
# 107 PHE QD 108 SER H 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2010, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1998,2006,
&end
#
# 107 PHE QD 108 SER QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1998,2006,
igr2=2014,2015,
&end
#
# 107 PHE QD 110 ASN H 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1998,2006,
&end
#
# 107 PHE QD 110 ASN HD22 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1998,2006,
&end
#
# 107 PHE QE 108 SER QB 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1=2000,2004,
igr2=2014,2015,
&end
#
# 108 SER QB 109 GLY H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=2014,2015,
&end
#
# 108 SER QB 110 ASN H 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,2028, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=2014,2015,
&end
#
# 108 SER QB 110 ASN HD21 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=2014,2015,
&end
#
# 108 SER QB 110 ASN HD22 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=2014,2015,
&end
#
# 109 GLY H 110 ASN H 3.20
&rst
ixpk= 0, nxpk= 0, iat=2021,2028, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 110 ASN H 110 ASN HD21 4.38
&rst
ixpk= 0, nxpk= 0, iat=2028,2038, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 110 ASN H 110 ASN HD22 5.29
&rst
ixpk= 0, nxpk= 0, iat=2028,2037, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 110 ASN HA 110 ASN HD21 4.51
&rst
ixpk= 0, nxpk= 0, iat=2030,2038, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 110 ASN HA 111 PRO HD2 3.40
&rst
ixpk= 0, nxpk= 0, iat=2030,2043, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 110 ASN HA 111 PRO HD3 3.40
&rst
ixpk= 0, nxpk= 0, iat=2030,2044, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 110 ASN HA 111 PRO HG2 4.47
&rst
ixpk= 0, nxpk= 0, iat=2030,2046, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 110 ASN HA 111 PRO HG3 4.45
&rst
ixpk= 0, nxpk= 0, iat=2030,2047, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 110 ASN QB 111 PRO HD2 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2043, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2032,2033,
&end
#
# 110 ASN QB 111 PRO HD3 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,2044, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=2032,2033,
&end
#
# 110 ASN QB 111 PRO QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=2032,2033,
igr2=2043,2044,
&end
#
# 112 ILE HA 112 ILE QD1 4.19
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=2069,2070,2071,
&end
#
# 112 ILE HA 112 ILE QG2 3.11
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=2062,2063,2064,
&end
#
# 112 ILE HB 112 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=2069,2070,2071,
&end
#
# 112 ILE HG12 113 LYS H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2066,2075, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 112 ILE QG2 112 ILE HG12 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,2066, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=2062,2063,2064,
&end
#
# 112 ILE QG2 112 ILE HG13 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=2062,2063,2064,
&end
#
# 113 LYS H 114 VAL H 4.35
&rst
ixpk= 0, nxpk= 0, iat=2075,2097, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 113 LYS HA 113 LYS QG 3.74
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=2082,2083,
&end
#
# 113 LYS HB2 113 LYS QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2085,2086,
&end
#
# 113 LYS QG 113 LYS QD 2.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1=2082,2083,
igr2=2085,2086,
&end
#
# 113 LYS QG 113 LYS QE 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=2082,2083,
igr2=2088,2089,
&end
#
# 113 LYS QG 114 VAL H 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2082,2083,
&end
#
# 114 VAL H 114 VAL QG1 3.89
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2103,2104,2105,
&end
#
# 114 VAL HA 114 VAL QG1 3.69
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2103,2104,2105,
&end
#
# 114 VAL QG1 115 SER H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=2103,2104,2105,
&end
#
# 114 VAL QG1 115 SER HA 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=2103,2104,2105,
&end
#
# 114 VAL QG1 116 PHE H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,2124, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2103,2104,2105,
&end
#
# 114 VAL QG2 115 SER QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=2107,2108,2109,
igr2=2117,2118,
&end
#
# 115 SER H 115 SER HB2 4.06
&rst
ixpk= 0, nxpk= 0, iat=2113,2117, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 115 SER H 115 SER HB3 4.06
&rst
ixpk= 0, nxpk= 0, iat=2113,2118, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 115 SER H 115 SER QB 3.53
&rst
ixpk= 0, nxpk= 0, iat=2113, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2117,2118,
&end
#
# 115 SER QB 116 PHE H 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1,2124, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1=2117,2118,
&end
#
# 116 PHE H 116 PHE QD 4.02
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=2132,2140,
&end
#
# 116 PHE HA 116 PHE QD 3.70
&rst
ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=2132,2140,
&end
#
# 116 PHE HB2 117 ALA H 4.79
&rst
ixpk= 0, nxpk= 0, iat=2128,2144, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 117 ALA H 117 ALA QB 3.02
&rst
ixpk= 0, nxpk= 0, iat=2144, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2=2148,2149,2150,
&end
#
# 117 ALA H 118 THR H 4.75
&rst
ixpk= 0, nxpk= 0, iat=2144,2154, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 117 ALA QB 118 THR H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2154, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2148,2149,2150,
&end
#
# 118 THR HB 119 ARG H 4.34
&rst
ixpk= 0, nxpk= 0, iat=2158,2168, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 119 ARG H 119 ARG QB 3.18
&rst
ixpk= 0, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=2172,2173,
&end
#
# 119 ARG H 119 ARG QD 4.50
&rst
ixpk= 0, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=2178,2179,
&end
#
# 119 ARG H 120 ARG H 4.81
&rst
ixpk= 0, nxpk= 0, iat=2168,2192, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 119 ARG QB 119 ARG QD 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=2172,2173,
igr2=2178,2179,
&end
#
# 119 ARG QB 121 ALA H 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,2216, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=2172,2173,
&end
#
# 119 ARG QB 122 ASP H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=2172,2173,
&end
#
# 120 ARG HA 120 ARG QG 3.37
&rst
ixpk= 0, nxpk= 0, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=2199,2200,
&end
#
# 120 ARG HA 121 ALA H 3.57
&rst
ixpk= 0, nxpk= 0, iat=2194,2216, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 120 ARG QB 120 ARG QD 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=2196,2197,
igr2=2202,2203,
&end
#
# 120 ARG QB 121 ALA QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2196,2197,
igr2=2220,2221,2222,
&end
#
# 120 ARG QG 123 PHE QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=2199,2200,
igr2=2242,2243,
&end
#
# 121 ALA QB 124 ASN QB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1=2220,2221,2222,
igr2=2262,2263,
&end
#
# 122 ASP H 123 PHE QB 5.34
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=2242,2243,
&end
#
# 123 PHE H 123 PHE HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=2238,2242, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 123 PHE H 123 PHE QB 2.86
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=2242,2243,
&end
#
# 123 PHE H 123 PHE QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2246,2254,
&end
#
# 123 PHE H 124 ASN H 3.48
&rst
ixpk= 0, nxpk= 0, iat=2238,2258, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 123 PHE QD 124 ASN H 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=2246,2254,
&end
#
# 124 ASN H 124 ASN QB 3.30
&rst
ixpk= 0, nxpk= 0, iat=2258, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=2262,2263,
&end
#
# 124 ASN HA 124 ASN QB 2.65
&rst
ixpk= 0, nxpk= 0, iat=2260, -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
igr2=2262,2263,
&end
#
# 124 ASN HB3 125 ARG H 4.13
&rst
ixpk= 0, nxpk= 0, iat=2263,2272, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 124 ASN QB 124 ASN QD2 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=2262,2263,
igr2=2267,2268,
&end
#
# 124 ASN QB 125 ARG H 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1,2272, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=2262,2263,
&end
#
# 124 ASN QB 125 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=2262,2263,
igr2=2282,2283,
&end
#
# 125 ARG H 125 ARG HB2 3.85
&rst
ixpk= 0, nxpk= 0, iat=2272,2276, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 125 ARG H 125 ARG QB 2.98
&rst
ixpk= 0, nxpk= 0, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=2276,2277,
&end
#
# 125 ARG HA 125 ARG QD 4.56
&rst
ixpk= 0, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=2282,2283,
&end
#
# 125 ARG HB2 125 ARG QD 4.09
&rst
ixpk= 0, nxpk= 0, iat=2276, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2282,2283,
&end
#
# 125 ARG HB2 125 ARG QG 2.95
&rst
ixpk= 0, nxpk= 0, iat=2276, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=2279,2280,
&end
#
# 125 ARG HB3 125 ARG QD 4.09
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=2282,2283,
&end
#
# 125 ARG QB 125 ARG QD 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=2276,2277,
igr2=2282,2283,
&end
#
# 125 ARG QB 125 ARG QG 2.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,
igr1=2276,2277,
igr2=2279,2280,
&end
#
# 119 ARG H 122 ASP QB 4.72
&rst
ixpk= 0, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=2230,2231,
&end
#
# 28 ASP HA 29 ASN H 3.55
&rst
ixpk= 0, nxpk= 0, iat= 786, 796, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 46 ILE HB 70 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1442,1443,1444,
&end
#
# 47 GLU HG2 68 PRO HD3 4.46
&rst
ixpk= 0, nxpk= 0, iat=1065,1400, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 53 PHE HZ 112 ILE QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=2069,2070,2071,
&end
#
# 60 LYS QE 91 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1279,1280,
&end
#
# 75 ASP HA 82 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1518,1642, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ASP HA 82 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1518,1643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ASP HA 82 LYS HG3 4.38
&rst
ixpk= 0, nxpk= 0, iat=1518,1637, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 80 LYS HA 81 LEU H 3.23
&rst
ixpk= 0, nxpk= 0, iat=1590,1610, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 100 ASP HA 103 ASP H 5.49
&rst
ixpk= 0, nxpk= 0, iat=1880,1934, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 101 TRP HA 103 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1892,1934, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HA 44 VAL QG1 4.79
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1015,1016,1017,
&end
#
# 42 GLU HA 83 GLY H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 982,1651, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 49 VAL HB 85 ALA QB 4.77
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2=1677,1678,1679,
&end
#
# 49 VAL QG1 51 ASP H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1090,1091,1092,
&end
#
# 49 VAL QG2 51 ASP H 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1094,1095,1096,
&end
#
# 52 TYR HA 102 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1124,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR HA 102 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1924,1928,
&end
#
# 52 TYR HA 107 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2000,2004,
&end
#
# 53 PHE HA 102 PHE QE 3.94
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1924,1928,
&end
#
# 51 ASP H 54 LYS QE 4.17
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1176,1177,
&end
#
# 99 ILE QG2 116 PHE QD 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1865,1866,1867,
igr2=2132,2140,
&end
#
# 104 GLY H 112 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1946,2060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 GLY H 113 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1946,2079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLN HB3 113 LYS HB3 3.83
&rst
ixpk= 0, nxpk= 0, iat= 935,2080, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 72 LEU HB3 85 ALA QB 5.02
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1677,1678,1679,
&end
#
# 32 ASN HD22 34 THR H 5.80
&rst
ixpk= 0, nxpk= 0, iat= 842, 861, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, &end
#
# 36 PHE H 87 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 894,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE QE 38 GLN HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 904, 908,
&end
#
# 38 GLN H 40 LEU QD2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 81 LEU HB2 81 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1623,1624,1625,
&end
#
# 82 LYS HA 82 LYS HD2 4.11
&rst
ixpk= 0, nxpk= 0, iat=1631,1639, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 26 HIS HA 26 HIS HD2 3.57
&rst
ixpk= 0, nxpk= 0, iat= 752, 763, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 34 THR HB 35 ILE HA 5.40
&rst
ixpk= 0, nxpk= 0, iat= 865, 877, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 52 TYR HB2 55 GLN HE22 5.50
&rst
ixpk= 0, nxpk= 0, iat=1126,1197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE HB 60 LYS H 4.59
&rst
ixpk= 0, nxpk= 0, iat=1251,1266, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 60 LYS H 69 MET HB2 5.01
&rst
ixpk= 0, nxpk= 0, iat=1266,1416, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 70 ILE H 87 VAL QG1 5.50
&rst
ixpk= 0, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1703,1704,1705,
&end
#
# 92 PRO QG 93 PRO HG2 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1786, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1772,1773,
&end
#
# 102 PHE QD 105 LYS HD3 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1964, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1922,1930,
&end
#
# 105 LYS HA 106 GLU HA 4.53
&rst
ixpk= 0, nxpk= 0, iat=1955,1977, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 29 ASN HB3 92 PRO QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1775,1776,
&end
#
# 43 ASN H 44 VAL QG1 3.71
&rst
ixpk= 0, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1015,1016,1017,
&end
#
# 52 TYR HB2 107 PHE QD 3.71
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1998,2006,
&end
#
# 52 TYR HB3 55 GLN HE21 5.31
&rst
ixpk= 0, nxpk= 0, iat=1127,1198, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 56 ILE HG13 101 TRP HD1 3.95
&rst
ixpk= 0, nxpk= 0, iat=1213,1898, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 65 THR HG1 67 GLN HE22 5.37
&rst
ixpk= 0, nxpk= 0, iat=1370,1393, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 37 VAL HB 85 ALA H 3.61
&rst
ixpk= 0, nxpk= 0, iat= 918,1673, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 61 THR HA 62 ASN HA 4.48
&rst
ixpk= 0, nxpk= 0, iat=1290,1304, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 68 PRO HA 69 MET H 2.84
&rst
ixpk= 0, nxpk= 0, iat=1408,1412, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 84 GLU QG 85 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1665,1666,
&end
#
# 27 MET QE 28 ASP QB 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 778, 779, 780,
igr2= 788, 789,
&end
#
# 28 ASP QB 30 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 810, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 788, 789,
&end
#
# 30 SER H 31 ASP QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 825, 826,
&end
#
# 55 GLN HE21 102 PHE QE 3.92
&rst
ixpk= 0, nxpk= 0, iat=1198, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1924,1928,
&end
#
# 70 ILE HB 71 ASN H 4.57
&rst
ixpk= 0, nxpk= 0, iat=1433,1448, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 123 PHE HA 125 ARG H 4.80
&rst
ixpk= 0, nxpk= 0, iat=2240,2272, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 40 LEU QB 44 VAL QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 958, 959,
igr2=1015,1016,1017,
&end
#
# 41 GLY HA3 44 VAL QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= 976, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1019,1020,1021,
&end
#
# 44 VAL HB 48 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1013,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HB 48 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1013,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR QE 105 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1953, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1132,1137,
&end
#
# 56 ILE HA 56 ILE HG13 4.08
&rst
ixpk= 0, nxpk= 0, iat=1204,1213, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 82 LYS HB2 83 GLY H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1633,1651, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 29 ASN HB3 32 ASN H 4.89
&rst
ixpk= 0, nxpk= 0, iat= 801, 833, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 39 GLY HA2 40 LEU H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 949, 954, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 44 VAL QG1 107 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=1015,1016,1017,
igr2=1998,2006,
&end
#
# 52 TYR QD 53 PHE QE 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1130,1139,
igr2=1153,1157,
&end
#
# 62 ASN H 67 GLN HG3 4.75
&rst
ixpk= 0, nxpk= 0, iat=1302,1389, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 69 MET H 69 MET HG2 5.13
&rst
ixpk= 0, nxpk= 0, iat=1412,1419, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 74 THR QG2 81 LEU H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1610, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1508,1509,1510,
&end
#
# 77 GLU HA 78 THR QG2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1554, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1573,1574,1575,
&end
#
# 96 LYS HA 96 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1819,1830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HA 96 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1819,1831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HB2 116 PHE QE 4.35
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2134,2138,
&end
#
# 107 PHE QD 112 ILE QG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1998,2006,
igr2=2062,2063,2064,
&end
#
# 112 ILE QD1 113 LYS H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=2069,2070,2071,
&end
#
# 120 ARG HB2 121 ALA H 4.42
&rst
ixpk= 0, nxpk= 0, iat=2196,2216, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 120 ARG HB3 121 ALA H 4.42
&rst
ixpk= 0, nxpk= 0, iat=2197,2216, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 40 LEU HG 112 ILE QG2 4.53
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=2062,2063,2064,
&end
#
# 40 LEU QB 112 ILE QG2 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 958, 959,
igr2=2062,2063,2064,
&end
#
# 50 ALA QB 54 LYS QE 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1104,1105,1106,
igr2=1176,1177,
&end
#
# 96 LYS HA 96 LYS HD3 4.05
&rst
ixpk= 0, nxpk= 0, iat=1819,1828, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 118 THR H 119 ARG QG 5.19
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=2175,2176,
&end
#
# 42 GLU H 110 ASN QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2032,2033,
&end
#
# 45 THR HA 46 ILE HA 5.13
&rst
ixpk= 0, nxpk= 0, iat=1027,1041, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 45 THR HB 46 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1029,1041, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE QD1 71 ASN HA 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1=1052,1053,1054,
&end
#
# 47 GLU HG2 68 PRO HD2 4.81
&rst
ixpk= 0, nxpk= 0, iat=1065,1399, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 56 ILE QG2 57 GLY HA2 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1223, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1208,1209,1210,
&end
#
# 72 LEU H 72 LEU QD1 3.97
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1471,1472,1473,
&end
#
# 95 ALA QB 99 ILE HG13 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1811,1812,1813,
&end
#
# 36 PHE QD 38 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 910,
&end
#
# 62 ASN H 66 GLY HA2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1302,1376, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 69 MET H 88 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1717,1718,
&end
#
# 74 THR HA 81 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1504,1617, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 ALA QB 99 ILE H 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1859, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1853,1854,1855,
&end
#
# 99 ILE H 99 ILE HB 3.44
&rst
ixpk= 0, nxpk= 0, iat=1859,1863, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 40 LEU QD1 49 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 963, 964, 965,
&end
#
# 99 ILE QG2 114 VAL H 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1865,1866,1867,
&end
#
# 117 ALA QB 119 ARG H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2148,2149,2150,
&end
#
# 119 ARG H 121 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2220,2221,2222,
&end
#
# 120 ARG QD 123 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=2202,2203,
igr2=2248,2252,
&end
#
# 121 ALA HA 124 ASN H 4.93
&rst
ixpk= 0, nxpk= 0, iat=2218,2258, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 44 VAL H 44 VAL QG2 2.78
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2=1019,1020,1021,
&end
#
# 52 TYR QE 102 PHE HB3 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1132,1137,
&end
#
# 52 TYR QE 107 PHE HB2 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1994, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1132,1137,
&end
#
# 53 PHE QD 102 PHE HZ 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1151,1159,
&end
#
# 53 PHE QD 114 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1151,1159,
igr2=2107,2108,2109,
&end
#
# 56 ILE HG13 102 PHE QE 4.10
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1924,1928,
&end
#
# 63 LYS HA 63 LYS QD 3.39
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1326,1327,
&end
#
# 67 GLN HE21 68 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1394,1405, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 VAL HB 89 PHE QE 4.23
&rst
ixpk= 0, nxpk= 0, iat=1701, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1734,1738,
&end
#
# 112 ILE H 113 LYS H 4.68
&rst
ixpk= 0, nxpk= 0, iat=2056,2075, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 118 THR HA 119 ARG H 2.96
&rst
ixpk= 0, nxpk= 0, iat=2156,2168, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 37 VAL QG1 114 VAL HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 920, 921, 922,
&end
#
# 38 GLN HB2 113 LYS H 4.29
&rst
ixpk= 0, nxpk= 0, iat= 934,2075, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 47 GLU H 68 PRO HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1058,1399, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ASP H 53 PHE H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1110,1143, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 59 ILE HB 89 PHE HA 5.43
&rst
ixpk= 0, nxpk= 0, iat=1251,1726, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 61 THR HA 69 MET HB2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1290,1416, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 65 THR HB 67 GLN HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1364,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 PHE HA 95 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 99 ILE QG2 114 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1865,1866,1867,
&end
#
# 101 TRP HE1 105 LYS HD3 4.32
&rst
ixpk= 0, nxpk= 0, iat=1900,1964, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 107 PHE QD 112 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2060, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1998,2006,
&end
#
# 117 ALA HA 118 THR H 3.21
&rst
ixpk= 0, nxpk= 0, iat=2146,2154, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 120 ARG QG 123 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2199,2200,
&end
#
# 123 PHE H 125 ARG QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2279,2280,
&end
#
# 54 LYS HA 57 GLY H 3.55
&rst
ixpk= 0, nxpk= 0, iat=1165,1221, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 61 THR H 61 THR HB 2.98
&rst
ixpk= 0, nxpk= 0, iat=1288,1292, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 107 PHE QE 108 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2012, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2000,2004,
&end
#
# 36 PHE QE 37 VAL H 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 904, 908,
&end
#
# 63 LYS HA 66 GLY HA2 4.43
&rst
ixpk= 0, nxpk= 0, iat=1318,1376, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 76 ARG HA 79 GLY HA2 3.74
&rst
ixpk= 0, nxpk= 0, iat=1530,1583, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 106 GLU HA 107 PHE H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1977,1990, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 28 ASP QB 30 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 788, 789,
igr2= 814, 815,
&end
#
# 42 GLU HA 81 LEU HB3 4.21
&rst
ixpk= 0, nxpk= 0, iat= 982,1615, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 46 ILE HA 70 ILE HB 4.57
&rst
ixpk= 0, nxpk= 0, iat=1041,1433, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 60 LYS HA 61 THR H 2.62
&rst
ixpk= 0, nxpk= 0, iat=1268,1288, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 61 THR QG2 63 LYS QD 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1294,1295,1296,
igr2=1326,1327,
&end
#
# 102 PHE HB2 114 VAL H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1918,2097, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 125 ARG HA 125 ARG QG 3.87
&rst
ixpk= 0, nxpk= 0, iat=2274, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2279,2280,
&end
#
# 45 THR HA 45 THR QG2 2.86
&rst
ixpk= 0, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1031,1032,1033,
&end
#
# 57 GLY H 89 PHE QE 3.58
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1734,1738,
&end
#
# 83 GLY H 84 GLU QG 4.87
&rst
ixpk= 0, nxpk= 0, iat=1651, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1665,1666,
&end
#
# 92 PRO HA 95 ALA H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1778,1807, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 121 ALA QB 122 ASP HA 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,2228, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=2220,2221,2222,
&end
#
# 52 TYR HB2 55 GLN HE21 4.84
&rst
ixpk= 0, nxpk= 0, iat=1126,1198, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 62 ASN H 66 GLY H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1302,1374, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 62 ASN HB3 69 MET QE 4.91
&rst
ixpk= 0, nxpk= 0, iat=1307, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1423,1424,1425,
&end
#
# 95 ALA QB 116 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=1811,1812,1813,
igr2=2134,2138,
&end
#
# 96 LYS QG 116 PHE QE 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1824,1825,
igr2=2134,2138,
&end
#
# 101 TRP HD1 102 PHE HB2 4.74
&rst
ixpk= 0, nxpk= 0, iat=1898,1918, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 102 PHE HA 105 LYS HD2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1916,1963, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 113 LYS H 113 LYS HB3 3.21
&rst
ixpk= 0, nxpk= 0, iat=2075,2080, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 31 ASP H 32 ASN HB2 4.48
&rst
ixpk= 0, nxpk= 0, iat= 821, 837, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 34 THR H 35 ILE HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 861, 877, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 34 THR HA 35 ILE HG12 5.03
&rst
ixpk= 0, nxpk= 0, iat= 863, 885, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 34 THR HA 117 ALA QB 5.06
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=2148,2149,2150,
&end
#
# 36 PHE HB2 86 THR HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= 898,1685, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 53 PHE H 53 PHE QE 5.30
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2=1153,1157,
&end
#
# 75 ASP H 80 LYS HB2 5.04
&rst
ixpk= 0, nxpk= 0, iat=1516,1592, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 35 ILE QD1 37 VAL HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 888, 889, 890,
&end
#
# 36 PHE QE 85 ALA H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 904, 908,
&end
#
# 37 VAL HA 38 GLN H 2.70
&rst
ixpk= 0, nxpk= 0, iat= 916, 930, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 45 THR HA 46 ILE H 3.17
&rst
ixpk= 0, nxpk= 0, iat=1027,1039, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 45 THR HB 46 ILE H 3.37
&rst
ixpk= 0, nxpk= 0, iat=1029,1039, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 61 THR HA 62 ASN H 2.68
&rst
ixpk= 0, nxpk= 0, iat=1290,1302, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 71 ASN HA 72 LEU H 2.70
&rst
ixpk= 0, nxpk= 0, iat=1450,1462, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 82 LYS HB3 83 GLY H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1634,1651, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 96 LYS H 96 LYS HD2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1817,1827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HD2 116 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1827,2136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 ASN QB 112 ILE H 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,2056, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=2032,2033,
&end
#
# 27 MET HA 28 ASP H 3.06
&rst
ixpk= 0, nxpk= 0, iat= 769, 784, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 34 THR QG2 36 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= 867, 868, 869,
igr2= 902, 910,
&end
#
# 34 THR QG2 89 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= 867, 868, 869,
igr2=1732,1740,
&end
#
# 35 ILE QG2 96 LYS HA 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1819, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 881, 882, 883,
&end
#
# 36 PHE QE 84 GLU QG 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 904, 908,
igr2=1665,1666,
&end
#
# 38 GLN HE22 113 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 942,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE H 46 ILE QD1 3.37
&rst
ixpk= 0, nxpk= 0, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1052,1053,1054,
&end
#
# 54 LYS HG2 55 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1170,1193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 ILE H 59 ILE HB 2.89
&rst
ixpk= 0, nxpk= 0, iat=1247,1251, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 69 MET HG3 69 MET QE 3.16
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1423,1424,1425,
&end
#
# 96 LYS HA 99 ILE QG2 5.37
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1865,1866,1867,
&end
#
# 98 ALA QB 99 ILE HG13 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1853,1854,1855,
&end
#
# 105 LYS HB3 106 GLU H 2.82
&rst
ixpk= 0, nxpk= 0, iat=1958,1975, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 111 PRO HA 112 ILE HG13 4.79
&rst
ixpk= 0, nxpk= 0, iat=2052,2067, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 121 ALA QB 122 ASP H 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2226, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=2220,2221,2222,
&end
#
# 34 THR H 34 THR HB 3.13
&rst
ixpk= 0, nxpk= 0, iat= 861, 865, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 35 ILE QG2 115 SER H 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 881, 882, 883,
&end
#
# 46 ILE HG12 67 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat=1049,1394, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HB 52 TYR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1088,1122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR H 54 LYS HG2 4.68
&rst
ixpk= 0, nxpk= 0, iat=1122,1170, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 60 LYS HA 60 LYS QE 4.77
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1279,1280,
&end
#
# 65 THR QG2 67 GLN HE21 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1366,1367,1368,
&end
#
# 75 ASP HB3 80 LYS H 3.46
&rst
ixpk= 0, nxpk= 0, iat=1521,1588, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 97 ALA QB 101 TRP HD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1843,1844,1845,
&end
#
# 99 ILE QG2 115 SER H 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1865,1866,1867,
&end
#
# 108 SER HA 109 GLY H 3.05
&rst
ixpk= 0, nxpk= 0, iat=2012,2021, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 123 PHE HA 123 PHE QD 3.53
&rst
ixpk= 0, nxpk= 0, iat=2240, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=2246,2254,
&end
#
# 29 ASN HB3 116 PHE QD 5.28
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=2132,2140,
&end
#
# 35 ILE QD1 53 PHE QD 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 888, 889, 890,
igr2=1151,1159,
&end
#
# 36 PHE QD 38 GLN H 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 902, 910,
&end
#
# 37 VAL H 86 THR HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 914,1687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU H 84 GLU QG 4.91
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1665,1666,
&end
#
# 41 GLY H 44 VAL QG1 3.95
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1015,1016,1017,
&end
#
# 42 GLU HA 44 VAL QG1 5.16
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1015,1016,1017,
&end
#
# 42 GLU HA 44 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1019,1020,1021,
&end
#
# 53 PHE QD 87 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1151,1159,
igr2=1707,1708,1709,
&end
#
# 69 MET HA 70 ILE H 2.70
&rst
ixpk= 0, nxpk= 0, iat=1414,1429, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 96 LYS HB2 116 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1821, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2132,2140,
&end
#
# 98 ALA HA 101 TRP HD1 3.66
&rst
ixpk= 0, nxpk= 0, iat=1851,1898, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 105 LYS HG2 106 GLU H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1960,1975, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 122 ASP HA 125 ARG QG 3.89
&rst
ixpk= 0, nxpk= 0, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2279,2280,
&end
#
# 122 ASP QB 124 ASN H 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,2258, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=2230,2231,
&end
#
# 35 ILE QD1 112 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 888, 889, 890,
igr2=2069,2070,2071,
&end
#
# 36 PHE QE 38 GLN HG3 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 904, 908,
&end
#
# 41 GLY H 107 PHE QD 5.35
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1998,2006,
&end
#
# 53 PHE HA 55 GLN HE21 4.83
&rst
ixpk= 0, nxpk= 0, iat=1145,1198, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 58 ILE HA 59 ILE H 2.71
&rst
ixpk= 0, nxpk= 0, iat=1230,1247, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 61 THR HA 69 MET HG3 4.96
&rst
ixpk= 0, nxpk= 0, iat=1290,1420, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 69 MET HA 71 ASN HD22 5.29
&rst
ixpk= 0, nxpk= 0, iat=1414,1457, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 70 ILE H 70 ILE HB 2.99
&rst
ixpk= 0, nxpk= 0, iat=1429,1433, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 96 LYS HB3 96 LYS HE2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1822,1830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS HB3 96 LYS HE3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1822,1831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 TRP HB2 101 TRP HZ3 5.26
&rst
ixpk= 0, nxpk= 0, iat=1894,1907, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 29 ASN HB3 32 ASN HD21 5.50
&rst
ixpk= 0, nxpk= 0, iat= 801, 843, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 ASN HB3 116 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2134,2138,
&end
#
# 32 ASN HA 33 ASN H 3.09
&rst
ixpk= 0, nxpk= 0, iat= 835, 847, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 35 ILE H 35 ILE HG13 3.24
&rst
ixpk= 0, nxpk= 0, iat= 875, 886, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 35 ILE HB 115 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 879,2115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY HA3 112 ILE QG2 3.90
&rst
ixpk= 0, nxpk= 0, iat= 950, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=2062,2063,2064,
&end
#
# 40 LEU HG 85 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 961,1673, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU QB 85 ALA H 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 958, 959,
&end
#
# 48 SER HA 51 ASP H 3.59
&rst
ixpk= 0, nxpk= 0, iat=1075,1110, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 48 SER HA 107 PHE HZ 5.28
&rst
ixpk= 0, nxpk= 0, iat=1075,2002, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 48 SER HA 107 PHE QE 4.90
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=2000,2004,
&end
#
# 53 PHE QE 103 ASP H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1153,1157,
&end
#
# 73 TYR QE 86 THR HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1491,1496,
&end
#
# 80 LYS QG 80 LYS QD 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr1=1595,1596,
igr2=1598,1599,
&end
#
# 89 PHE QE 97 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=1734,1738,
igr2=1843,1844,1845,
&end
#
# 110 ASN H 110 ASN QB 2.82
&rst
ixpk= 0, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
igr2=2032,2033,
&end
#
# 113 LYS HG2 113 LYS QD 2.77
&rst
ixpk= 0, nxpk= 0, iat=2082, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=2085,2086,
&end
#
# 113 LYS HG3 113 LYS QD 2.77
&rst
ixpk= 0, nxpk= 0, iat=2083, -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
igr2=2085,2086,
&end
#
# 29 ASN HB2 29 ASN HD21 3.64
&rst
ixpk= 0, nxpk= 0, iat= 800, 806, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 35 ILE QG2 99 ILE H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1859, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 881, 882, 883,
&end
#
# 35 ILE QG2 99 ILE HG13 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 881, 882, 883,
&end
#
# 36 PHE H 37 VAL HA 5.49
&rst
ixpk= 0, nxpk= 0, iat= 894, 916, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 36 PHE H 114 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 894,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 GLN HE21 113 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 943,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLY HA3 42 GLU H 2.91
&rst
ixpk= 0, nxpk= 0, iat= 976, 980, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 46 ILE QG2 68 PRO HG2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1045,1046,1047,
&end
#
# 52 TYR H 52 TYR HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat=1122,1126, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 52 TYR HB3 53 PHE QD 4.25
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1151,1159,
&end
#
# 53 PHE HA 89 PHE HZ 4.26
&rst
ixpk= 0, nxpk= 0, iat=1145,1736, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 60 LYS QE 90 ASP HA 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1746, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1279,1280,
&end
#
# 69 MET HG2 88 SER QB 4.24
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1717,1718,
&end
#
# 77 GLU H 78 THR H 3.00
&rst
ixpk= 0, nxpk= 0, iat=1552,1567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 LYS HA 80 LYS QE 4.73
&rst
ixpk= 0, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1601,1602,
&end
#
# 99 ILE H 99 ILE QG2 4.52
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1865,1866,1867,
&end
#
# 102 PHE H 103 ASP H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1914,1934, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 102 PHE QD 106 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1975, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1922,1930,
&end
#
# 114 VAL HA 115 SER H 2.68
&rst
ixpk= 0, nxpk= 0, iat=2099,2113, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 123 PHE H 123 PHE HA 2.85
&rst
ixpk= 0, nxpk= 0, iat=2238,2240, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 29 ASN H 30 SER QB 5.37
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 814, 815,
&end
#
# 41 GLY HA2 42 GLU H 3.07
&rst
ixpk= 0, nxpk= 0, iat= 975, 980, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 51 ASP H 54 LYS HG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1110,1170, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 52 TYR HA 107 PHE QD 5.00
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1998,2006,
&end
#
# 52 TYR QE 53 PHE HZ 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1132,1137,
&end
#
# 55 GLN HB2 102 PHE HZ 4.56
&rst
ixpk= 0, nxpk= 0, iat=1189,1926, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 56 ILE QG2 102 PHE H 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1208,1209,1210,
&end
#
# 63 LYS QB 64 LYS H 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1320,1321,
&end
#
# 64 LYS QB 66 GLY H 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1342,1343,
&end
#
# 64 LYS QE 65 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=1351,1352,
igr2=1366,1367,1368,
&end
#
# 82 LYS H 82 LYS HB3 3.82
&rst
ixpk= 0, nxpk= 0, iat=1629,1634, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 82 LYS H 82 LYS HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat=1629,1637, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 82 LYS HB2 82 LYS HE2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1633,1642, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 82 LYS HB2 82 LYS HE3 5.29
&rst
ixpk= 0, nxpk= 0, iat=1633,1643, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 93 PRO HA 96 LYS HB3 3.80
&rst
ixpk= 0, nxpk= 0, iat=1792,1822, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 99 ILE H 114 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1859, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2107,2108,2109,
&end
#
# 101 TRP HA 101 TRP HD1 4.97
&rst
ixpk= 0, nxpk= 0, iat=1892,1898, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 107 PHE QE 112 ILE QG2 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2000,2004,
igr2=2062,2063,2064,
&end
#
# 115 SER HB3 116 PHE H 3.78
&rst
ixpk= 0, nxpk= 0, iat=2118,2124, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 120 ARG HA 122 ASP H 4.29
&rst
ixpk= 0, nxpk= 0, iat=2194,2226, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 35 ILE HG13 37 VAL H 5.08
&rst
ixpk= 0, nxpk= 0, iat= 886, 914, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 35 ILE QG2 53 PHE QE 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 881, 882, 883,
igr2=1153,1157,
&end
#
# 44 VAL HA 45 THR H 2.62
&rst
ixpk= 0, nxpk= 0, iat=1011,1025, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 44 VAL QG2 45 THR HA 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1019,1020,1021,
&end
#
# 46 ILE QG2 68 PRO HG3 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1403, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1045,1046,1047,
&end
#
# 52 TYR H 53 PHE HA 5.47
&rst
ixpk= 0, nxpk= 0, iat=1122,1145, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 53 PHE H 102 PHE HZ 4.81
&rst
ixpk= 0, nxpk= 0, iat=1143,1926, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 53 PHE HA 59 ILE QD1 4.82
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1260,1261,1262,
&end
#
# 53 PHE HA 102 PHE HZ 4.45
&rst
ixpk= 0, nxpk= 0, iat=1145,1926, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 53 PHE HA 102 PHE QD 5.50
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1922,1930,
&end
#
# 56 ILE QG2 56 ILE HG13 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1213, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 97 ALA QB 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1208,1209,1210,
igr2=1843,1844,1845,
&end
#
# 61 THR HA 68 PRO HB2 4.58
&rst
ixpk= 0, nxpk= 0, iat=1290,1405, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 62 ASN HA 69 MET HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1304,1419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 68 PRO HB3 70 ILE QD1 3.64
&rst
ixpk= 0, nxpk= 0, iat=1406, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1442,1443,1444,
&end
#
# 69 MET HA 71 ASN HD21 5.47
&rst
ixpk= 0, nxpk= 0, iat=1414,1458, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 80 LYS H 80 LYS QG 2.86
&rst
ixpk= 0, nxpk= 0, iat=1588, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1595,1596,
&end
#
# 82 LYS HA 82 LYS HD3 4.11
&rst
ixpk= 0, nxpk= 0, iat=1631,1640, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 82 LYS HG2 83 GLY H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1636,1651, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 99 ILE HG13 100 ASP H 4.24
&rst
ixpk= 0, nxpk= 0, iat=1870,1878, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 109 GLY H 110 ASN QB 4.62
&rst
ixpk= 0, nxpk= 0, iat=2021, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2032,2033,
&end
#
# 111 PRO HA 112 ILE H 3.06
&rst
ixpk= 0, nxpk= 0, iat=2052,2056, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 123 PHE H 123 PHE QE 4.62
&rst
ixpk= 0, nxpk= 0, iat=2238, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=2248,2252,
&end
#
# 34 THR QG2 86 THR HB 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1687, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1= 867, 868, 869,
&end
#
# 35 ILE HG12 98 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1853,1854,1855,
&end
#
# 38 GLN HA 38 GLN HG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= 932, 937, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 39 GLY H 40 LEU QB 4.22
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 958, 959,
&end
#
# 41 GLY H 83 GLY HA2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 973,1653, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 43 ASN HA 81 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 997,1617, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 TYR HA 55 GLN H 4.26
&rst
ixpk= 0, nxpk= 0, iat=1124,1185, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 56 ILE HB 102 PHE HZ 4.02
&rst
ixpk= 0, nxpk= 0, iat=1206,1926, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 56 ILE HG12 98 ALA QB 5.14
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1853,1854,1855,
&end
#
# 57 GLY HA3 89 PHE QE 4.97
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1734,1738,
&end
#
# 66 GLY H 67 GLN HB3 5.43
&rst
ixpk= 0, nxpk= 0, iat=1374,1386, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 70 ILE HB 71 ASN HA 5.41
&rst
ixpk= 0, nxpk= 0, iat=1433,1450, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 70 ILE QG2 86 THR H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1435,1436,1437,
&end
#
# 90 ASP HA 91 ASP HA 5.21
&rst
ixpk= 0, nxpk= 0, iat=1746,1758, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 93 PRO HG2 95 ALA H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1786,1807, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 95 ALA H 96 LYS HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1807,1821, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 105 LYS H 112 ILE HG13 3.15
&rst
ixpk= 0, nxpk= 0, iat=1953,2067, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 119 ARG QD 121 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2178,2179,
&end
#
# 120 ARG QD 121 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2216, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=2202,2203,
&end
#
# 33 ASN HA 92 PRO QB 4.82
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1775,1776,
&end
#
# 37 VAL QG1 53 PHE HZ 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 920, 921, 922,
&end
#
# 37 VAL QG1 53 PHE QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 920, 921, 922,
igr2=1153,1157,
&end
#
# 40 LEU H 40 LEU QB 2.97
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 958, 959,
&end
#
# 41 GLY HA3 43 ASN H 4.04
&rst
ixpk= 0, nxpk= 0, iat= 976, 995, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 41 GLY HA3 44 VAL H 5.22
&rst
ixpk= 0, nxpk= 0, iat= 976,1009, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 42 GLU H 44 VAL QG1 4.51
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1015,1016,1017,
&end
#
# 45 THR HB 47 GLU H 3.43
&rst
ixpk= 0, nxpk= 0, iat=1029,1058, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 46 ILE QG2 67 GLN HB2 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1045,1046,1047,
&end
#
# 57 GLY HA2 58 ILE H 3.03
&rst
ixpk= 0, nxpk= 0, iat=1223,1228, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 59 ILE HB 59 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat=1251, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1260,1261,1262,
&end
#
# 59 ILE QG2 59 ILE QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1253,1254,1255,
igr2=1260,1261,1262,
&end
#
# 60 LYS HB2 60 LYS QE 3.68
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1279,1280,
&end
#
# 61 THR QG2 63 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1294,1295,1296,
igr2=1329,1330,
&end
#
# 63 LYS QD 63 LYS QE 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=1326,1327,
igr2=1329,1330,
&end
#
# 68 PRO HB2 70 ILE QD1 3.59
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1442,1443,1444,
&end
#
# 69 MET HA 70 ILE QD1 4.91
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1442,1443,1444,
&end
#
# 99 ILE QG2 114 VAL QG2 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1865,1866,1867,
igr2=2107,2108,2109,
&end
#
# 107 PHE QD 109 GLY H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2021, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1998,2006,
&end
#
# 113 LYS QD 113 LYS QE 2.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1=2085,2086,
igr2=2088,2089,
&end
#
# 120 ARG HB2 120 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2196,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 120 ARG HB3 120 ARG HE 5.50
&rst
ixpk= 0, nxpk= 0, iat=2197,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ASN HD21 60 LYS QD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1276,1277,
&end
#
# 34 THR HA 89 PHE H 3.60
&rst
ixpk= 0, nxpk= 0, iat= 863,1724, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 37 VAL HA 113 LYS H 3.97
&rst
ixpk= 0, nxpk= 0, iat= 916,2075, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 41 GLY H 110 ASN QB 5.19
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2=2032,2033,
&end
#
# 46 ILE HG12 67 GLN HE22 5.18
&rst
ixpk= 0, nxpk= 0, iat=1049,1393, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 53 PHE QD 59 ILE QD1 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1151,1159,
igr2=1260,1261,1262,
&end
#
# 54 LYS H 102 PHE HZ 5.23
&rst
ixpk= 0, nxpk= 0, iat=1163,1926, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 54 LYS HB3 59 ILE QG2 5.26
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1253,1254,1255,
&end
#
# 55 GLN HG3 56 ILE QD1 5.27
&rst
ixpk= 0, nxpk= 0, iat=1193, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1215,1216,1217,
&end
#
# 56 ILE H 102 PHE HZ 3.81
&rst
ixpk= 0, nxpk= 0, iat=1202,1926, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 59 ILE QG2 87 VAL HA 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1253,1254,1255,
&end
#
# 63 LYS QB 63 LYS QE 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1320,1321,
igr2=1329,1330,
&end
#
# 63 LYS QG 63 LYS QE 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1323,1324,
igr2=1329,1330,
&end
#
# 64 LYS QB 65 THR H 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1360, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr1=1342,1343,
&end
#
# 64 LYS QB 65 THR QG2 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1342,1343,
igr2=1366,1367,1368,
&end
#
# 67 GLN HA 68 PRO HG2 5.46
&rst
ixpk= 0, nxpk= 0, iat=1383,1402, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 67 GLN HA 68 PRO HG3 5.46
&rst
ixpk= 0, nxpk= 0, iat=1383,1403, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 71 ASN H 71 ASN HB2 3.38
&rst
ixpk= 0, nxpk= 0, iat=1448,1452, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 75 ASP H 75 ASP HB3 3.00
&rst
ixpk= 0, nxpk= 0, iat=1516,1521, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 80 LYS HB2 81 LEU H 3.33
&rst
ixpk= 0, nxpk= 0, iat=1592,1610, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 82 LYS HB3 82 LYS HE2 5.29
&rst
ixpk= 0, nxpk= 0, iat=1634,1642, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 82 LYS HB3 82 LYS HE3 5.29
&rst
ixpk= 0, nxpk= 0, iat=1634,1643, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 95 ALA QB 116 PHE HZ 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1811,1812,1813,
&end
#
# 96 LYS H 96 LYS HD3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1817,1828, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ILE QD1 116 PHE HB2 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2128, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1872,1873,1874,
&end
#
# 101 TRP HE1 105 LYS HD2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1900,1963, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 106 GLU HA 110 ASN H 4.09
&rst
ixpk= 0, nxpk= 0, iat=1977,2028, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 107 PHE HA 108 SER HA 5.11
&rst
ixpk= 0, nxpk= 0, iat=1992,2012, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 107 PHE HB3 110 ASN QB 4.83
&rst
ixpk= 0, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2032,2033,
&end
#
# 112 ILE HA 114 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2058, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2107,2108,2109,
&end
#
# 113 LYS HA 114 VAL H 2.74
&rst
ixpk= 0, nxpk= 0, iat=2077,2097, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 113 LYS HB2 113 LYS QE 4.35
&rst
ixpk= 0, nxpk= 0, iat=2079, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=2088,2089,
&end
#
# 122 ASP H 122 ASP QB 3.00
&rst
ixpk= 0, nxpk= 0, iat=2226, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=2230,2231,
&end
#
# 40 LEU HA 107 PHE QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2000,2004,
&end
#
# 40 LEU QB 40 LEU QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 958, 959,
igr2= 963, 964, 965,
&end
#
# 40 LEU QD2 112 ILE QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 967, 968, 969,
igr2=2062,2063,2064,
&end
#
# 42 GLU HG2 43 ASN H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 987, 995, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 44 VAL QG2 84 GLU H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1019,1020,1021,
&end
#
# 45 THR HA 46 ILE HG13 4.84
&rst
ixpk= 0, nxpk= 0, iat=1027,1050, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 47 GLU HA 50 ALA H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1060,1100, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 48 SER HB2 107 PHE HZ 4.09
&rst
ixpk= 0, nxpk= 0, iat=1077,2002, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 51 ASP H 51 ASP HB2 2.69
&rst
ixpk= 0, nxpk= 0, iat=1110,1114, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 51 ASP HB2 54 LYS QE 3.64
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1176,1177,
&end
#
# 52 TYR QD 112 ILE QD1 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1130,1139,
igr2=2069,2070,2071,
&end
#
# 53 PHE HB3 56 ILE QG2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1208,1209,1210,
&end
#
# 62 ASN HD21 65 THR HG1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1312,1370, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 88 SER HA 89 PHE H 2.96
&rst
ixpk= 0, nxpk= 0, iat=1715,1724, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 89 PHE HB2 94 SER HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 SER HB2 97 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1800,1839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ILE QG2 101 TRP H 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1865,1866,1867,
&end
#
# 102 PHE HB3 112 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=2069,2070,2071,
&end
#
# 105 LYS HA 105 LYS HG2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1955,1960, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 115 SER HA 116 PHE H 3.38
&rst
ixpk= 0, nxpk= 0, iat=2115,2124, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 119 ARG HA 119 ARG QG 3.87
&rst
ixpk= 0, nxpk= 0, iat=2170, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=2175,2176,
&end
#
# 119 ARG HA 121 ALA H 4.61
&rst
ixpk= 0, nxpk= 0, iat=2170,2216, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 119 ARG HB2 121 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat=2172, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2220,2221,2222,
&end
#
# 29 ASN HB3 92 PRO HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 801,1778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 SER QB 31 ASP H 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 821, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 814, 815,
&end
#
# 31 ASP H 31 ASP QB 3.15
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 825, 826,
&end
#
# 31 ASP HA 32 ASN H 3.57
&rst
ixpk= 0, nxpk= 0, iat= 823, 833, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 33 ASN HB3 92 PRO HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 852,1778, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 34 THR HA 35 ILE QG2 4.98
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 881, 882, 883,
&end
#
# 34 THR HA 89 PHE QD 5.06
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1732,1740,
&end
#
# 34 THR HB 117 ALA QB 3.29
&rst
ixpk= 0, nxpk= 0, iat= 865, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=2148,2149,2150,
&end
#
# 42 GLU HA 81 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat= 982,1617, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL QG1 107 PHE QE 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1015,1016,1017,
igr2=2000,2004,
&end
#
# 45 THR HA 46 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1027,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 THR HB 46 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1029,1043, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 SER H 107 PHE HZ 5.03
&rst
ixpk= 0, nxpk= 0, iat=1073,2002, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 49 VAL H 107 PHE QE 4.18
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2000,2004,
&end
#
# 50 ALA HA 70 ILE QD1 3.77
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1442,1443,1444,
&end
#
# 54 LYS HA 59 ILE HB 5.36
&rst
ixpk= 0, nxpk= 0, iat=1165,1251, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 55 GLN HB3 102 PHE HZ 4.86
&rst
ixpk= 0, nxpk= 0, iat=1190,1926, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 58 ILE QG2 59 ILE H 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1234,1235,1236,
&end
#
# 59 ILE QG2 69 MET H 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1412, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1253,1254,1255,
&end
#
# 62 ASN HB2 69 MET HA 4.92
&rst
ixpk= 0, nxpk= 0, iat=1306,1414, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 64 LYS HA 64 LYS HG2 4.02
&rst
ixpk= 0, nxpk= 0, iat=1340,1345, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 64 LYS HA 64 LYS QE 4.88
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1351,1352,
&end
#
# 64 LYS QB 65 THR HA 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1362, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1342,1343,
&end
#
# 69 MET H 70 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1412, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1442,1443,1444,
&end
#
# 70 ILE H 70 ILE QD1 3.63
&rst
ixpk= 0, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1442,1443,1444,
&end
#
# 70 ILE QG2 72 LEU HA 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1464, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1435,1436,1437,
&end
#
# 73 TYR H 84 GLU H 4.74
&rst
ixpk= 0, nxpk= 0, iat=1481,1658, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 74 THR HB 81 LEU HG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1506,1617, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ASP HA 77 GLU H 4.32
&rst
ixpk= 0, nxpk= 0, iat=1518,1552, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 75 ASP HB3 79 GLY H 3.58
&rst
ixpk= 0, nxpk= 0, iat=1521,1581, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 80 LYS HB3 81 LEU H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1593,1610, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 81 LEU HA 82 LYS H 2.94
&rst
ixpk= 0, nxpk= 0, iat=1612,1629, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 87 VAL HA 88 SER H 2.85
&rst
ixpk= 0, nxpk= 0, iat=1699,1713, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 89 PHE QD 94 SER HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1800, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1732,1740,
&end
#
# 104 GLY H 113 LYS HA 3.49
&rst
ixpk= 0, nxpk= 0, iat=1946,2077, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 105 LYS H 105 LYS HB2 3.07
&rst
ixpk= 0, nxpk= 0, iat=1953,1957, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 106 GLU HA 112 ILE QG2 4.30
&rst
ixpk= 0, nxpk= 0, iat=1977, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=2062,2063,2064,
&end
#
# 108 SER HB3 109 GLY H 4.31
&rst
ixpk= 0, nxpk= 0, iat=2015,2021, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 110 ASN HA 110 ASN HD22 4.79
&rst
ixpk= 0, nxpk= 0, iat=2030,2037, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 111 PRO HA 112 ILE QG2 4.76
&rst
ixpk= 0, nxpk= 0, iat=2052, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2062,2063,2064,
&end
#
# 32 ASN HB3 32 ASN HD22 5.21
&rst
ixpk= 0, nxpk= 0, iat= 838, 842, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 35 ILE HG13 86 THR HA 4.81
&rst
ixpk= 0, nxpk= 0, iat= 886,1685, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 35 ILE QG2 99 ILE HA 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1861, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 881, 882, 883,
&end
#
# 36 PHE HA 37 VAL H 2.98
&rst
ixpk= 0, nxpk= 0, iat= 896, 914, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 36 PHE HB2 86 THR QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1689,1690,1691,
&end
#
# 36 PHE HB3 115 SER H 4.61
&rst
ixpk= 0, nxpk= 0, iat= 899,2113, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 37 VAL H 85 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1677,1678,1679,
&end
#
# 40 LEU HA 107 PHE HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= 956,1994, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 40 LEU HA 110 ASN QB 5.44
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2=2032,2033,
&end
#
# 40 LEU QB 40 LEU QD2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 958, 959,
igr2= 967, 968, 969,
&end
#
# 42 GLU H 42 GLU HG3 3.42
&rst
ixpk= 0, nxpk= 0, iat= 980, 988, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 46 ILE HB 47 GLU H 3.01
&rst
ixpk= 0, nxpk= 0, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 50 ALA H 59 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1260,1261,1262,
&end
#
# 50 ALA H 70 ILE QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=1435,1436,1437,
&end
#
# 50 ALA HA 53 PHE HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1102,1148, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 51 ASP HA 54 LYS HG2 3.43
&rst
ixpk= 0, nxpk= 0, iat=1112,1170, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 54 LYS HG2 55 GLN H 3.70
&rst
ixpk= 0, nxpk= 0, iat=1170,1185, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 ILE HG13 57 GLY H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1213,1221, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 57 GLY HA2 89 PHE QE 4.97
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1734,1738,
&end
#
# 58 ILE QG2 60 LYS HA 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1234,1235,1236,
&end
#
# 62 ASN HD21 69 MET HA 4.60
&rst
ixpk= 0, nxpk= 0, iat=1312,1414, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 63 LYS HA 64 LYS HA 5.16
&rst
ixpk= 0, nxpk= 0, iat=1318,1340, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 63 LYS QG 63 LYS QD 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1323,1324,
igr2=1326,1327,
&end
#
# 65 THR HG1 67 GLN H 3.32
&rst
ixpk= 0, nxpk= 0, iat=1370,1381, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 71 ASN HB2 73 TYR QE 3.78
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1491,1496,
&end
#
# 73 TYR QE 86 THR QG2 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1491,1496,
igr2=1689,1690,1691,
&end
#
# 75 ASP HB3 76 ARG HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1521,1530, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 ARG HA 77 GLU HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1530,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 SER HA 89 PHE QD 4.91
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2=1732,1740,
&end
#
# 95 ALA QB 116 PHE QD 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1811,1812,1813,
igr2=2132,2140,
&end
#
# 96 LYS HD3 116 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1828,2136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LYS QG 116 PHE QD 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1824,1825,
igr2=2132,2140,
&end
#
# 101 TRP H 101 TRP HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat=1890,1894, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 101 TRP HD1 102 PHE HA 5.06
&rst
ixpk= 0, nxpk= 0, iat=1898,1916, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 102 PHE H 102 PHE HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat=1914,1918, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 105 LYS H 114 VAL H 5.07
&rst
ixpk= 0, nxpk= 0, iat=1953,2097, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 105 LYS HA 106 GLU H 2.79
&rst
ixpk= 0, nxpk= 0, iat=1955,1975, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 107 PHE H 112 ILE H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1990,2056, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 120 ARG QG 123 PHE QD 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
igr1=2199,2200,
igr2=2246,2254,
&end
#
# 122 ASP QB 125 ARG QG 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=2230,2231,
igr2=2279,2280,
&end
#
# 31 ASP H 32 ASN H 3.62
&rst
ixpk= 0, nxpk= 0, iat= 821, 833, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 34 THR HA 88 SER QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1717,1718,
&end
#
# 35 ILE QD1 53 PHE QE 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 888, 889, 890,
igr2=1153,1157,
&end
#
# 35 ILE QG2 98 ALA QB 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 881, 882, 883,
igr2=1853,1854,1855,
&end
#
# 37 VAL H 37 VAL QG2 4.02
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 924, 925, 926,
&end
#
# 38 GLN HB3 39 GLY H 3.54
&rst
ixpk= 0, nxpk= 0, iat= 935, 947, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 40 LEU QB 44 VAL H 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 958, 959,
&end
#
# 42 GLU H 42 GLU HG2 3.42
&rst
ixpk= 0, nxpk= 0, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 42 GLU HG3 43 ASN HD22 5.06
&rst
ixpk= 0, nxpk= 0, iat= 988,1004, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 43 ASN HA 44 VAL H 3.17
&rst
ixpk= 0, nxpk= 0, iat= 997,1009, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 44 VAL HB 49 VAL H 4.69
&rst
ixpk= 0, nxpk= 0, iat=1013,1084, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 47 GLU HA 50 ALA QB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1104,1105,1106,
&end
#
# 50 ALA HA 53 PHE QD 5.03
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1151,1159,
&end
#
# 50 ALA HA 70 ILE QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1435,1436,1437,
&end
#
# 52 TYR HA 55 GLN HG2 4.59
&rst
ixpk= 0, nxpk= 0, iat=1124,1192, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 52 TYR HB2 107 PHE HZ 5.15
&rst
ixpk= 0, nxpk= 0, iat=1126,2002, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 54 LYS HA 58 ILE HA 4.82
&rst
ixpk= 0, nxpk= 0, iat=1165,1230, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 54 LYS HB3 58 ILE HA 5.05
&rst
ixpk= 0, nxpk= 0, iat=1168,1230, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 56 ILE HB 98 ALA QB 3.75
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1853,1854,1855,
&end
#
# 58 ILE H 89 PHE QD 4.32
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1732,1740,
&end
#
# 60 LYS HA 90 ASP HA 4.23
&rst
ixpk= 0, nxpk= 0, iat=1268,1746, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 60 LYS HG3 61 THR H 3.77
&rst
ixpk= 0, nxpk= 0, iat=1274,1288, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 62 ASN HA 63 LYS H 3.07
&rst
ixpk= 0, nxpk= 0, iat=1304,1316, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 62 ASN HB2 67 GLN HG3 4.37
&rst
ixpk= 0, nxpk= 0, iat=1306,1389, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 67 GLN H 67 GLN HB3 3.03
&rst
ixpk= 0, nxpk= 0, iat=1381,1386, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 71 ASN H 85 ALA QB 3.66
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1677,1678,1679,
&end
#
# 72 LEU HB3 81 LEU QD2 4.32
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1623,1624,1625,
&end
#
# 73 TYR H 73 TYR QD 3.71
&rst
ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1489,1498,
&end
#
# 76 ARG H 78 THR H 4.52
&rst
ixpk= 0, nxpk= 0, iat=1528,1567, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 78 THR HB 80 LYS QD 3.92
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1598,1599,
&end
#
# 80 LYS HA 80 LYS QD 4.34
&rst
ixpk= 0, nxpk= 0, iat=1590, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2=1598,1599,
&end
#
# 84 GLU HA 85 ALA H 2.89
&rst
ixpk= 0, nxpk= 0, iat=1660,1673, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 85 ALA HA 86 THR QG2 4.84
&rst
ixpk= 0, nxpk= 0, iat=1675, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1689,1690,1691,
&end
#
# 89 PHE HZ 95 ALA HA 5.04
&rst
ixpk= 0, nxpk= 0, iat=1736,1809, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 95 ALA HA 98 ALA QB 3.59
&rst
ixpk= 0, nxpk= 0, iat=1809, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1853,1854,1855,
&end
#
# 95 ALA QB 96 LYS H 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1817, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1=1811,1812,1813,
&end
#
# 99 ILE HA 103 ASP H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1861,1934, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 99 ILE HB 100 ASP H 3.02
&rst
ixpk= 0, nxpk= 0, iat=1863,1878, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 100 ASP H 100 ASP HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat=1878,1882, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 101 TRP HE1 102 PHE QE 3.72
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1924,1928,
&end
#
# 102 PHE HB2 103 ASP H 3.94
&rst
ixpk= 0, nxpk= 0, iat=1918,1934, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 102 PHE HB2 104 GLY H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1918,1946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 ASP HA 104 GLY H 2.86
&rst
ixpk= 0, nxpk= 0, iat=1936,1946, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 104 GLY H 105 LYS HG3 5.17
&rst
ixpk= 0, nxpk= 0, iat=1946,1961, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 112 ILE HA 113 LYS H 2.82
&rst
ixpk= 0, nxpk= 0, iat=2058,2075, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 124 ASN HA 125 ARG HA 5.04
&rst
ixpk= 0, nxpk= 0, iat=2260,2274, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 35 ILE H 86 THR HA 4.80
&rst
ixpk= 0, nxpk= 0, iat= 875,1685, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 35 ILE HG13 115 SER H 5.37
&rst
ixpk= 0, nxpk= 0, iat= 886,2113, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 38 GLN H 38 GLN HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat= 930, 934, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 40 LEU HG 44 VAL QG2 4.28
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1019,1020,1021,
&end
#
# 45 THR HG1 48 SER H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1035,1073, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 47 GLU H 47 GLU HB2 2.93
&rst
ixpk= 0, nxpk= 0, iat=1058,1062, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 50 ALA H 68 PRO HG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1100,1402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ALA H 68 PRO HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1100,1403, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ALA QB 68 PRO HB2 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr1=1104,1105,1106,
&end
#
# 51 ASP H 54 LYS HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1110,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 ASP HB3 52 TYR H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1115,1122, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 56 ILE HA 56 ILE QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1215,1216,1217,
&end
#
# 56 ILE HB 89 PHE HZ 5.00
&rst
ixpk= 0, nxpk= 0, iat=1206,1736, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 56 ILE QG2 89 PHE HZ 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 89 PHE QE 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1208,1209,1210,
igr2=1734,1738,
&end
#
# 58 ILE H 58 ILE HG13 3.11
&rst
ixpk= 0, nxpk= 0, iat=1228,1239, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 58 ILE H 58 ILE QD1 3.60
&rst
ixpk= 0, nxpk= 0, iat=1228, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1241,1242,1243,
&end
#
# 58 ILE H 89 PHE HB3 5.30
&rst
ixpk= 0, nxpk= 0, iat=1228,1729, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 59 ILE HA 90 ASP H 3.64
&rst
ixpk= 0, nxpk= 0, iat=1249,1744, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 61 THR HA 69 MET QE 4.65
&rst
ixpk= 0, nxpk= 0, iat=1290, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1423,1424,1425,
&end
#
# 62 ASN HB3 67 GLN H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1307,1381, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 69 MET HB2 88 SER QB 3.93
&rst
ixpk= 0, nxpk= 0, iat=1416, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1717,1718,
&end
#
# 70 ILE H 87 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1707,1708,1709,
&end
#
# 70 ILE HB 70 ILE QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat=1433, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1442,1443,1444,
&end
#
# 70 ILE QG2 71 ASN H 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1=1435,1436,1437,
&end
#
# 72 LEU HB3 81 LEU QD1 4.32
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1619,1620,1621,
&end
#
# 73 TYR H 73 TYR QE 5.20
&rst
ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1491,1496,
&end
#
# 73 TYR HA 73 TYR QD 3.15
&rst
ixpk= 0, nxpk= 0, iat=1483, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1489,1498,
&end
#
# 74 THR QG2 76 ARG HA 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1530, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1508,1509,1510,
&end
#
# 75 ASP H 75 ASP HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat=1516,1520, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 78 THR H 79 GLY H 2.72
&rst
ixpk= 0, nxpk= 0, iat=1567,1581, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 86 THR HA 87 VAL H 2.95
&rst
ixpk= 0, nxpk= 0, iat=1685,1697, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 89 PHE HB3 91 ASP H 3.60
&rst
ixpk= 0, nxpk= 0, iat=1729,1756, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 90 ASP H 90 ASP HB2 3.32
&rst
ixpk= 0, nxpk= 0, iat=1744,1748, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 98 ALA QB 102 PHE QE 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1853,1854,1855,
igr2=1924,1928,
&end
#
# 99 ILE QG2 99 ILE QD1 2.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1=1865,1866,1867,
igr2=1872,1873,1874,
&end
#
# 100 ASP HB3 101 TRP HA 4.79
&rst
ixpk= 0, nxpk= 0, iat=1883,1892, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 101 TRP HD1 102 PHE H 3.90
&rst
ixpk= 0, nxpk= 0, iat=1898,1914, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 102 PHE HB3 114 VAL QG2 4.60
&rst
ixpk= 0, nxpk= 0, iat=1919, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=2107,2108,2109,
&end
#
# 118 THR H 118 THR HB 3.84
&rst
ixpk= 0, nxpk= 0, iat=2154,2158, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 120 ARG HA 123 PHE QD 4.63
&rst
ixpk= 0, nxpk= 0, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2246,2254,
&end
#
# 125 ARG H 125 ARG HB3 3.85
&rst
ixpk= 0, nxpk= 0, iat=2272,2277, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 125 ARG H 125 ARG QG 3.15
&rst
ixpk= 0, nxpk= 0, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=2279,2280,
&end
#
# 29 ASN HA 30 SER H 3.48
&rst
ixpk= 0, nxpk= 0, iat= 798, 810, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 32 ASN H 32 ASN HB3 3.39
&rst
ixpk= 0, nxpk= 0, iat= 833, 838, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 33 ASN HD22 88 SER QB 5.90
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1717,1718,
&end
#
# 34 THR H 89 PHE H 5.03
&rst
ixpk= 0, nxpk= 0, iat= 861,1724, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 34 THR HA 35 ILE H 3.01
&rst
ixpk= 0, nxpk= 0, iat= 863, 875, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 35 ILE HG13 36 PHE HA 5.17
&rst
ixpk= 0, nxpk= 0, iat= 886, 896, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 35 ILE QG2 89 PHE QE 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 881, 882, 883,
igr2=1734,1738,
&end
#
# 35 ILE QG2 116 PHE HZ 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 881, 882, 883,
&end
#
# 37 VAL QG2 53 PHE QE 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 924, 925, 926,
igr2=1153,1157,
&end
#
# 38 GLN H 114 VAL H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 930,2097, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 38 GLN HA 85 ALA H 4.32
&rst
ixpk= 0, nxpk= 0, iat= 932,1673, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 39 GLY HA2 113 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 949,2075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HA 113 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 956,2075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU HG 44 VAL QG1 5.34
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr2=1015,1016,1017,
&end
#
# 40 LEU QD1 107 PHE HZ 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 963, 964, 965,
&end
#
# 42 GLU HG3 43 ASN H 4.22
&rst
ixpk= 0, nxpk= 0, iat= 988, 995, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 45 THR HB 48 SER H 3.85
&rst
ixpk= 0, nxpk= 0, iat=1029,1073, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 45 THR QG2 48 SER H 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1031,1032,1033,
&end
#
# 46 ILE QG2 47 GLU HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1063, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 67 GLN HE21 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1394, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 67 GLN HG3 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 70 ILE H 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1429, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1045,1046,1047,
&end
#
# 47 GLU HB3 48 SER H 3.72
&rst
ixpk= 0, nxpk= 0, iat=1063,1073, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 48 SER HB3 49 VAL H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1078,1084, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 49 VAL H 49 VAL HB 2.93
&rst
ixpk= 0, nxpk= 0, iat=1084,1088, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 52 TYR HA 55 GLN HG3 5.38
&rst
ixpk= 0, nxpk= 0, iat=1124,1193, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 52 TYR QD 53 PHE QD 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1130,1139,
igr2=1151,1159,
&end
#
# 53 PHE HB3 57 GLY H 5.12
&rst
ixpk= 0, nxpk= 0, iat=1148,1221, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 53 PHE QE 98 ALA QB 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1153,1157,
igr2=1853,1854,1855,
&end
#
# 55 GLN HG3 56 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1193,1204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 ILE HG12 59 ILE H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1238,1247, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 60 LYS HG3 60 LYS QE 3.78
&rst
ixpk= 0, nxpk= 0, iat=1274, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1279,1280,
&end
#
# 61 THR QG2 67 GLN HG3 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1294,1295,1296,
&end
#
# 64 LYS HA 64 LYS HG3 4.02
&rst
ixpk= 0, nxpk= 0, iat=1340,1346, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 65 THR H 67 GLN H 4.35
&rst
ixpk= 0, nxpk= 0, iat=1360,1381, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 65 THR HB 67 GLN H 3.51
&rst
ixpk= 0, nxpk= 0, iat=1364,1381, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 70 ILE QD1 87 VAL QG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1442,1443,1444,
igr2=1707,1708,1709,
&end
#
# 72 LEU H 72 LEU HB2 3.19
&rst
ixpk= 0, nxpk= 0, iat=1462,1466, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 72 LEU HA 72 LEU QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat=1464, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1471,1472,1473,
&end
#
# 74 THR HA 82 LYS HG3 4.61
&rst
ixpk= 0, nxpk= 0, iat=1504,1637, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 74 THR HB 82 LYS HG2 5.14
&rst
ixpk= 0, nxpk= 0, iat=1506,1636, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 77 GLU H 77 GLU QB 2.66
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,
igr2=1556,1557,
&end
#
# 84 GLU H 84 GLU QG 4.13
&rst
ixpk= 0, nxpk= 0, iat=1658, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1665,1666,
&end
#
# 84 GLU HB3 85 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1663,1673, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 92 PRO HD2 93 PRO HB3 4.91
&rst
ixpk= 0, nxpk= 0, iat=1769,1790, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 93 PRO HA 95 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 93 PRO HA 96 LYS H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1792,1817, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 93 PRO HA 96 LYS QG 5.50
&rst
ixpk= 0, nxpk= 0, iat=1792, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1824,1825,
&end
#
# 96 LYS H 96 LYS QG 5.05
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1824,1825,
&end
#
# 96 LYS HB3 97 ALA H 3.22
&rst
ixpk= 0, nxpk= 0, iat=1822,1839, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 96 LYS QG 116 PHE HZ 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,2136, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1824,1825,
&end
#
# 97 ALA H 97 ALA QB 2.63
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
igr2=1843,1844,1845,
&end
#
# 98 ALA H 101 TRP H 4.97
&rst
ixpk= 0, nxpk= 0, iat=1849,1890, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 99 ILE QD1 115 SER HB2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,2117, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1872,1873,1874,
&end
#
# 101 TRP HB3 102 PHE H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1895,1914, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 102 PHE HA 105 LYS HD3 4.12
&rst
ixpk= 0, nxpk= 0, iat=1916,1964, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 102 PHE QD 112 ILE QD1 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1922,1930,
igr2=2069,2070,2071,
&end
#
# 103 ASP H 103 ASP HB3 2.99
&rst
ixpk= 0, nxpk= 0, iat=1934,1939, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 107 PHE H 109 GLY H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1990,2021, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 110 ASN QB 112 ILE HA 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1,2058, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=2032,2033,
&end
#
# 112 ILE HB 113 LYS H 2.91
&rst
ixpk= 0, nxpk= 0, iat=2060,2075, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 112 ILE HG13 114 VAL H 4.60
&rst
ixpk= 0, nxpk= 0, iat=2067,2097, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 113 LYS HB3 114 VAL H 5.01
&rst
ixpk= 0, nxpk= 0, iat=2080,2097, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 115 SER H 117 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=2113,2144, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 116 PHE H 116 PHE HB2 3.10
&rst
ixpk= 0, nxpk= 0, iat=2124,2128, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 116 PHE HA 117 ALA H 3.38
&rst
ixpk= 0, nxpk= 0, iat=2126,2144, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 119 ARG QG 120 ARG H 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2192, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=2175,2176,
&end
#
# 120 ARG H 120 ARG QG 5.06
&rst
ixpk= 0, nxpk= 0, iat=2192, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=2199,2200,
&end
#
# 122 ASP QB 123 PHE H 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=2230,2231,
&end
#
# 27 MET HB2 28 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 771, 784, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 27 MET QE 28 ASP H 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 778, 779, 780,
&end
#
# 29 ASN HA 32 ASN HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= 798, 838, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 29 ASN HB2 32 ASN HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= 800, 838, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 30 SER H 30 SER QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= 810, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 814, 815,
&end
#
# 32 ASN HB3 34 THR H 5.26
&rst
ixpk= 0, nxpk= 0, iat= 838, 861, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 33 ASN H 92 PRO HA 5.77
&rst
ixpk= 0, nxpk= 0, iat= 847,1778, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, &end
#
# 34 THR H 116 PHE QD 4.98
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=2132,2140,
&end
#
# 34 THR QG2 35 ILE H 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 867, 868, 869,
&end
#
# 35 ILE H 95 ALA QB 5.11
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2=1811,1812,1813,
&end
#
# 36 PHE HA 85 ALA H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 896,1673, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 38 GLN HB3 39 GLY HA2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 935, 949, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 39 GLY HA3 113 LYS H 4.18
&rst
ixpk= 0, nxpk= 0, iat= 950,2075, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 40 LEU QD1 53 PHE QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 963, 964, 965,
igr2=1153,1157,
&end
#
# 44 VAL HB 107 PHE HZ 5.47
&rst
ixpk= 0, nxpk= 0, iat=1013,2002, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 44 VAL HB 107 PHE QE 4.88
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=2000,2004,
&end
#
# 46 ILE HG12 70 ILE QG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1049, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1435,1436,1437,
&end
#
# 46 ILE HG13 47 GLU H 4.72
&rst
ixpk= 0, nxpk= 0, iat=1050,1058, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 46 ILE QD1 67 GLN HE22 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1052,1053,1054,
&end
#
# 46 ILE QG2 67 GLN HE22 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=1045,1046,1047,
&end
#
# 49 VAL H 107 PHE HZ 4.55
&rst
ixpk= 0, nxpk= 0, iat=1084,2002, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 51 ASP H 51 ASP HB3 2.96
&rst
ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 52 TYR H 53 PHE HB2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1122,1147, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 53 PHE HA 55 GLN H 3.86
&rst
ixpk= 0, nxpk= 0, iat=1145,1185, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 53 PHE HZ 114 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1155,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE QD 56 ILE HB 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1151,1159,
&end
#
# 53 PHE QE 114 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1153,1157,
&end
#
# 54 LYS HG3 55 GLN H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1171,1185, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 57 GLY HA3 58 ILE H 3.03
&rst
ixpk= 0, nxpk= 0, iat=1224,1228, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 58 ILE H 90 ASP H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1228,1744, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 59 ILE HA 60 LYS H 2.93
&rst
ixpk= 0, nxpk= 0, iat=1249,1266, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 59 ILE QG2 60 LYS H 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1266, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1253,1254,1255,
&end
#
# 60 LYS H 90 ASP H 3.71
&rst
ixpk= 0, nxpk= 0, iat=1266,1744, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 60 LYS HG2 69 MET QE 3.65
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1423,1424,1425,
&end
#
# 61 THR QG2 62 ASN H 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1302, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1294,1295,1296,
&end
#
# 61 THR QG2 66 GLY HA3 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1294,1295,1296,
&end
#
# 62 ASN HA 64 LYS H 3.79
&rst
ixpk= 0, nxpk= 0, iat=1304,1338, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 62 ASN HD22 65 THR HG1 5.22
&rst
ixpk= 0, nxpk= 0, iat=1311,1370, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 63 LYS HA 63 LYS QE 4.64
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1329,1330,
&end
#
# 64 LYS H 64 LYS HG2 3.83
&rst
ixpk= 0, nxpk= 0, iat=1338,1345, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 65 THR HA 65 THR QG2 2.95
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1366,1367,1368,
&end
#
# 65 THR QG2 67 GLN H 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1366,1367,1368,
&end
#
# 67 GLN H 67 GLN HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1381,1385, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 MET HA 88 SER QB 4.77
&rst
ixpk= 0, nxpk= 0, iat=1414, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1717,1718,
&end
#
# 70 ILE H 88 SER QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1717,1718,
&end
#
# 70 ILE HA 86 THR H 5.24
&rst
ixpk= 0, nxpk= 0, iat=1431,1683, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 70 ILE QG2 87 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1701, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1435,1436,1437,
&end
#
# 71 ASN HB2 86 THR H 3.92
&rst
ixpk= 0, nxpk= 0, iat=1452,1683, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 72 LEU HB2 73 TYR H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1466,1481, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 75 ASP HA 76 ARG H 3.41
&rst
ixpk= 0, nxpk= 0, iat=1518,1528, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 76 ARG H 77 GLU H 3.37
&rst
ixpk= 0, nxpk= 0, iat=1528,1552, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 77 GLU QB 78 THR H 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1567, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr1=1556,1557,
&end
#
# 78 THR QG2 80 LYS QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1573,1574,1575,
igr2=1601,1602,
&end
#
# 82 LYS H 83 GLY H 3.31
&rst
ixpk= 0, nxpk= 0, iat=1629,1651, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 83 GLY H 84 GLU H 3.15
&rst
ixpk= 0, nxpk= 0, iat=1651,1658, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 84 GLU HA 84 GLU QG 3.71
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1665,1666,
&end
#
# 86 THR HB 87 VAL H 3.52
&rst
ixpk= 0, nxpk= 0, iat=1687,1697, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 88 SER QB 89 PHE H 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1724, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1717,1718,
&end
#
# 91 ASP HA 93 PRO HD2 5.03
&rst
ixpk= 0, nxpk= 0, iat=1758,1783, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 95 ALA HA 98 ALA H 3.72
&rst
ixpk= 0, nxpk= 0, iat=1809,1849, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 96 LYS H 96 LYS HB2 3.10
&rst
ixpk= 0, nxpk= 0, iat=1817,1821, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 97 ALA QB 100 ASP HB3 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1883, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1=1843,1844,1845,
&end
#
# 98 ALA H 102 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1849,1914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ILE H 99 ILE HG13 3.13
&rst
ixpk= 0, nxpk= 0, iat=1859,1870, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 99 ILE HG12 103 ASP H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1869,1934, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 99 ILE QG2 100 ASP HA 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1880, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1865,1866,1867,
&end
#
# 101 TRP HA 101 TRP HE3 3.41
&rst
ixpk= 0, nxpk= 0, iat=1892,1909, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 106 GLU HB3 109 GLY HA2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1980,2023, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 107 PHE H 112 ILE HG12 4.63
&rst
ixpk= 0, nxpk= 0, iat=1990,2066, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 108 SER HB2 109 GLY H 4.31
&rst
ixpk= 0, nxpk= 0, iat=2014,2021, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 112 ILE H 112 ILE HG12 3.17
&rst
ixpk= 0, nxpk= 0, iat=2056,2066, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 112 ILE HB 114 VAL QG2 4.27
&rst
ixpk= 0, nxpk= 0, iat=2060, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=2107,2108,2109,
&end
#
# 113 LYS HA 113 LYS QE 4.43
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2088,2089,
&end
#
# 113 LYS HA 114 VAL HA 4.62
&rst
ixpk= 0, nxpk= 0, iat=2077,2099, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 116 PHE HA 116 PHE QE 4.47
&rst
ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=2134,2138,
&end
#
# 116 PHE HA 117 ALA QB 5.00
&rst
ixpk= 0, nxpk= 0, iat=2126, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=2148,2149,2150,
&end
#
# 119 ARG HB3 121 ALA QB 4.21
&rst
ixpk= 0, nxpk= 0, iat=2173, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=2220,2221,2222,
&end
#
# 120 ARG HA 120 ARG QD 3.80
&rst
ixpk= 0, nxpk= 0, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=2202,2203,
&end
#
# 121 ALA H 122 ASP H 3.60
&rst
ixpk= 0, nxpk= 0, iat=2216,2226, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 29 ASN HB3 32 ASN HB3 5.40
&rst
ixpk= 0, nxpk= 0, iat= 801, 838, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 32 ASN HD22 117 ALA QB 5.99
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=2148,2149,2150,
&end
#
# 33 ASN HD22 89 PHE H 5.20
&rst
ixpk= 0, nxpk= 0, iat= 856,1724, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 34 THR H 117 ALA QB 4.40
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=2148,2149,2150,
&end
#
# 34 THR QG2 117 ALA H 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 867, 868, 869,
&end
#
# 35 ILE HA 117 ALA H 3.33
&rst
ixpk= 0, nxpk= 0, iat= 877,2144, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 35 ILE QG2 116 PHE QD 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 881, 882, 883,
igr2=2132,2140,
&end
#
# 35 ILE QG2 116 PHE QE 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 881, 882, 883,
igr2=2134,2138,
&end
#
# 36 PHE HB2 117 ALA HA 3.89
&rst
ixpk= 0, nxpk= 0, iat= 898,2146, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 36 PHE QD 86 THR HA 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1685, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 902, 910,
&end
#
# 36 PHE QE 86 THR QG2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 904, 908,
igr2=1689,1690,1691,
&end
#
# 37 VAL HA 112 ILE QD1 5.50
&rst
ixpk= 0, nxpk= 0, iat= 916, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2069,2070,2071,
&end
#
# 40 LEU QD2 53 PHE QE 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 967, 968, 969,
igr2=1153,1157,
&end
#
# 42 GLU HG2 43 ASN HD22 5.06
&rst
ixpk= 0, nxpk= 0, iat= 987,1004, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 44 VAL HA 44 VAL QG1 3.14
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1015,1016,1017,
&end
#
# 46 ILE H 46 ILE HB 2.96
&rst
ixpk= 0, nxpk= 0, iat=1039,1043, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 48 SER HA 51 ASP HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1075,1114, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 50 ALA H 50 ALA QB 2.67
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2=1104,1105,1106,
&end
#
# 52 TYR H 52 TYR HB3 2.98
&rst
ixpk= 0, nxpk= 0, iat=1122,1127, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 53 PHE H 54 LYS HB3 4.54
&rst
ixpk= 0, nxpk= 0, iat=1143,1168, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 53 PHE HB3 59 ILE QD1 4.24
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1260,1261,1262,
&end
#
# 53 PHE HB3 87 VAL QG2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1707,1708,1709,
&end
#
# 53 PHE QD 98 ALA QB 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1151,1159,
igr2=1853,1854,1855,
&end
#
# 54 LYS HA 56 ILE H 4.12
&rst
ixpk= 0, nxpk= 0, iat=1165,1202, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 54 LYS HB2 59 ILE H 4.85
&rst
ixpk= 0, nxpk= 0, iat=1167,1247, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 54 LYS HB3 54 LYS QE 3.78
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1176,1177,
&end
#
# 55 GLN H 55 GLN HB3 3.12
&rst
ixpk= 0, nxpk= 0, iat=1185,1190, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 55 GLN HE21 56 ILE H 5.30
&rst
ixpk= 0, nxpk= 0, iat=1198,1202, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 55 GLN HG2 102 PHE HZ 5.01
&rst
ixpk= 0, nxpk= 0, iat=1192,1926, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 56 ILE HG12 101 TRP HD1 5.13
&rst
ixpk= 0, nxpk= 0, iat=1212,1898, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 59 ILE QG2 61 THR HA 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1290, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1253,1254,1255,
&end
#
# 59 ILE QG2 69 MET QE 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1=1253,1254,1255,
igr2=1423,1424,1425,
&end
#
# 59 ILE QG2 88 SER H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1253,1254,1255,
&end
#
# 59 ILE QG2 88 SER QB 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1=1253,1254,1255,
igr2=1717,1718,
&end
#
# 60 LYS H 61 THR H 4.45
&rst
ixpk= 0, nxpk= 0, iat=1266,1288, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 60 LYS H 89 PHE HA 3.44
&rst
ixpk= 0, nxpk= 0, iat=1266,1726, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 60 LYS H 89 PHE QD 4.75
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1732,1740,
&end
#
# 60 LYS HB2 60 LYS QD 3.46
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1276,1277,
&end
#
# 60 LYS HB2 88 SER QB 4.38
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1717,1718,
&end
#
# 60 LYS QD 69 MET QE 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1276,1277,
igr2=1423,1424,1425,
&end
#
# 61 THR QG2 62 ASN HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1304, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1294,1295,1296,
&end
#
# 61 THR QG2 66 GLY HA2 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1294,1295,1296,
&end
#
# 62 ASN H 62 ASN HB2 3.06
&rst
ixpk= 0, nxpk= 0, iat=1302,1306, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 62 ASN H 62 ASN HB3 3.09
&rst
ixpk= 0, nxpk= 0, iat=1302,1307, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 62 ASN HA 69 MET HG3 4.63
&rst
ixpk= 0, nxpk= 0, iat=1304,1420, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 62 ASN HD21 64 LYS QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1342,1343,
&end
#
# 64 LYS H 64 LYS QB 2.71
&rst
ixpk= 0, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2=1342,1343,
&end
#
# 64 LYS HA 65 THR HA 4.99
&rst
ixpk= 0, nxpk= 0, iat=1340,1362, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 65 THR HA 67 GLN HG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1362,1388, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 69 MET H 69 MET HB2 3.12
&rst
ixpk= 0, nxpk= 0, iat=1412,1416, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 69 MET HB2 88 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1416,1715, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ILE H 70 ILE QG2 4.08
&rst
ixpk= 0, nxpk= 0, iat=1429, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1435,1436,1437,
&end
#
# 70 ILE HA 70 ILE HG13 3.88
&rst
ixpk= 0, nxpk= 0, iat=1431,1440, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 71 ASN HA 73 TYR QE 5.50
&rst
ixpk= 0, nxpk= 0, iat=1450, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1491,1496,
&end
#
# 73 TYR H 86 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1481,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 73 TYR HA 74 THR H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1483,1502, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 73 TYR QE 84 GLU HB2 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1662, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1491,1496,
&end
#
# 74 THR QG2 81 LEU HG 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1617, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1508,1509,1510,
&end
#
# 75 ASP H 81 LEU HA 3.71
&rst
ixpk= 0, nxpk= 0, iat=1516,1612, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 75 ASP HA 76 ARG HA 4.74
&rst
ixpk= 0, nxpk= 0, iat=1518,1530, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 75 ASP HB3 78 THR H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1521,1567, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 76 ARG HA 79 GLY H 4.29
&rst
ixpk= 0, nxpk= 0, iat=1530,1581, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 77 GLU HA 78 THR HA 5.35
&rst
ixpk= 0, nxpk= 0, iat=1554,1569, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 78 THR HA 78 THR HB 2.69
&rst
ixpk= 0, nxpk= 0, iat=1569,1571, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 78 THR HB 80 LYS QG 3.60
&rst
ixpk= 0, nxpk= 0, iat=1571, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1595,1596,
&end
#
# 78 THR QG2 80 LYS QG 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1573,1574,1575,
igr2=1595,1596,
&end
#
# 85 ALA H 86 THR HA 4.72
&rst
ixpk= 0, nxpk= 0, iat=1673,1685, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 85 ALA HA 86 THR H 3.01
&rst
ixpk= 0, nxpk= 0, iat=1675,1683, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 87 VAL H 87 VAL QG2 4.07
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1707,1708,1709,
&end
#
# 88 SER HA 95 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=1715, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1811,1812,1813,
&end
#
# 89 PHE HA 90 ASP H 3.25
&rst
ixpk= 0, nxpk= 0, iat=1726,1744, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 89 PHE HB2 95 ALA QB 4.78
&rst
ixpk= 0, nxpk= 0, iat=1728, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1811,1812,1813,
&end
#
# 89 PHE HB3 95 ALA H 4.41
&rst
ixpk= 0, nxpk= 0, iat=1729,1807, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 90 ASP H 90 ASP HB3 3.32
&rst
ixpk= 0, nxpk= 0, iat=1744,1749, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 91 ASP HB2 94 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1760,1796, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 94 SER H 94 SER HB2 3.61
&rst
ixpk= 0, nxpk= 0, iat=1796,1800, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 96 LYS HA 99 ILE H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1819,1859, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 97 ALA HA 100 ASP HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1841,1882, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 97 ALA HA 100 ASP HB3 3.84
&rst
ixpk= 0, nxpk= 0, iat=1841,1883, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 98 ALA H 98 ALA QB 2.73
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2=1853,1854,1855,
&end
#
# 99 ILE HA 101 TRP H 4.22
&rst
ixpk= 0, nxpk= 0, iat=1861,1890, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 101 TRP H 101 TRP HB3 3.10
&rst
ixpk= 0, nxpk= 0, iat=1890,1895, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 104 GLY H 113 LYS H 5.44
&rst
ixpk= 0, nxpk= 0, iat=1946,2075, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 105 LYS H 112 ILE QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat=1953, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=2069,2070,2071,
&end
#
# 109 GLY H 109 GLY HA2 2.86
&rst
ixpk= 0, nxpk= 0, iat=2021,2023, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 111 PRO HB2 112 ILE H 3.88
&rst
ixpk= 0, nxpk= 0, iat=2049,2056, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 112 ILE QD1 114 VAL HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2099, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=2069,2070,2071,
&end
#
# 112 ILE QD1 114 VAL QG1 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1=2069,2070,2071,
igr2=2103,2104,2105,
&end
#
# 113 LYS QD 114 VAL H 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,2097, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=2085,2086,
&end
#
# 120 ARG H 121 ALA H 4.27
&rst
ixpk= 0, nxpk= 0, iat=2192,2216, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 120 ARG HA 123 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=2194,2238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 124 ASN H 125 ARG H 3.40
&rst
ixpk= 0, nxpk= 0, iat=2258,2272, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 28 ASP QB 29 ASN H 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 788, 789,
&end
#
# 32 ASN HD22 117 ALA H 5.99
&rst
ixpk= 0, nxpk= 0, iat= 842,2144, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 33 ASN H 33 ASN HB3 3.98
&rst
ixpk= 0, nxpk= 0, iat= 847, 852, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 33 ASN HA 95 ALA HA 5.90
&rst
ixpk= 0, nxpk= 0, iat= 849,1809, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, &end
#
# 33 ASN HD21 88 SER QB 5.90
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
igr2=1717,1718,
&end
#
# 34 THR H 35 ILE QG2 5.05
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 881, 882, 883,
&end
#
# 34 THR H 95 ALA QB 4.01
&rst
ixpk= 0, nxpk= 0, iat= 861, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1811,1812,1813,
&end
#
# 34 THR HB 88 SER HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= 865,1715, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 34 THR QG2 86 THR QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 867, 868, 869,
igr2=1689,1690,1691,
&end
#
# 34 THR QG2 88 SER QB 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 867, 868, 869,
igr2=1717,1718,
&end
#
# 34 THR QG2 117 ALA HA 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,2146, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 867, 868, 869,
&end
#
# 35 ILE H 35 ILE QG2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 881, 882, 883,
&end
#
# 35 ILE HA 36 PHE H 3.03
&rst
ixpk= 0, nxpk= 0, iat= 877, 894, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 35 ILE HA 115 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat= 877,2113, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 35 ILE HA 116 PHE H 5.04
&rst
ixpk= 0, nxpk= 0, iat= 877,2124, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 35 ILE HB 36 PHE H 3.27
&rst
ixpk= 0, nxpk= 0, iat= 879, 894, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 35 ILE HB 95 ALA QB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1811,1812,1813,
&end
#
# 35 ILE HG12 89 PHE QE 3.95
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1734,1738,
&end
#
# 35 ILE QD1 89 PHE QD 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 888, 889, 890,
igr2=1732,1740,
&end
#
# 35 ILE QD1 99 ILE HA 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1861, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 888, 889, 890,
&end
#
# 35 ILE QG2 95 ALA QB 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 881, 882, 883,
igr2=1811,1812,1813,
&end
#
# 36 PHE H 99 ILE QD1 4.87
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1872,1873,1874,
&end
#
# 36 PHE HA 36 PHE QE 4.76
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 904, 908,
&end
#
# 36 PHE HB3 86 THR QG2 4.69
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1689,1690,1691,
&end
#
# 36 PHE QD 117 ALA HA 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,2146, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 902, 910,
&end
#
# 37 VAL HB 40 LEU QD1 4.99
&rst
ixpk= 0, nxpk= 0, iat= 918, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 963, 964, 965,
&end
#
# 38 GLN HA 40 LEU H 4.53
&rst
ixpk= 0, nxpk= 0, iat= 932, 954, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 39 GLY H 84 GLU HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= 947,1660, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 40 LEU H 84 GLU HA 4.94
&rst
ixpk= 0, nxpk= 0, iat= 954,1660, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 40 LEU H 112 ILE HB 4.96
&rst
ixpk= 0, nxpk= 0, iat= 954,2060, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 40 LEU HA 107 PHE QD 3.70
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1998,2006,
&end
#
# 40 LEU QD1 107 PHE QE 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1= 963, 964, 965,
igr2=2000,2004,
&end
#
# 44 VAL QG1 107 PHE HZ 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1015,1016,1017,
&end
#
# 45 THR H 45 THR QG2 3.23
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1031,1032,1033,
&end
#
# 45 THR H 48 SER HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1025,1075, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 THR H 107 PHE HZ 4.40
&rst
ixpk= 0, nxpk= 0, iat=1025,2002, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 45 THR HA 46 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1027,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ILE H 46 ILE HG13 3.15
&rst
ixpk= 0, nxpk= 0, iat=1039,1050, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 46 ILE HB 70 ILE HB 4.73
&rst
ixpk= 0, nxpk= 0, iat=1043,1433, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 50 ALA QB 59 ILE QG2 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1104,1105,1106,
igr2=1253,1254,1255,
&end
#
# 50 ALA QB 68 PRO HB3 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1104,1105,1106,
&end
#
# 52 TYR HA 54 LYS H 4.90
&rst
ixpk= 0, nxpk= 0, iat=1124,1163, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 52 TYR HB2 107 PHE QE 3.86
&rst
ixpk= 0, nxpk= 0, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=2000,2004,
&end
#
# 52 TYR HB3 53 PHE H 3.59
&rst
ixpk= 0, nxpk= 0, iat=1127,1143, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 52 TYR QD 53 PHE HA 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1130,1139,
&end
#
# 52 TYR QD 53 PHE HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1130,1139,
&end
#
# 52 TYR QD 55 GLN HE21 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1130,1139,
&end
#
# 52 TYR QD 107 PHE HA 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1130,1139,
&end
#
# 52 TYR QE 107 PHE HA 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1992, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1132,1137,
&end
#
# 53 PHE H 56 ILE H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1143,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE HA 54 LYS HA 4.88
&rst
ixpk= 0, nxpk= 0, iat=1145,1165, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 53 PHE HA 56 ILE H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1145,1202, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 53 PHE HB3 87 VAL QG1 4.94
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1703,1704,1705,
&end
#
# 53 PHE QE 102 PHE HB2 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1153,1157,
&end
#
# 54 LYS H 54 LYS HB3 3.07
&rst
ixpk= 0, nxpk= 0, iat=1163,1168, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 54 LYS HB2 54 LYS QE 3.99
&rst
ixpk= 0, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1176,1177,
&end
#
# 54 LYS HB3 59 ILE H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1168,1247, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 55 GLN H 55 GLN HG3 3.19
&rst
ixpk= 0, nxpk= 0, iat=1185,1193, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 55 GLN H 56 ILE HG12 5.50
&rst
ixpk= 0, nxpk= 0, iat=1185,1212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HB 101 TRP HD1 4.60
&rst
ixpk= 0, nxpk= 0, iat=1206,1898, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 ILE QG2 94 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1796, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 94 SER HA 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1798, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 98 ALA H 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 98 ALA QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1208,1209,1210,
igr2=1853,1854,1855,
&end
#
# 57 GLY H 98 ALA QB 4.52
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1853,1854,1855,
&end
#
# 58 ILE H 58 ILE HB 2.89
&rst
ixpk= 0, nxpk= 0, iat=1228,1232, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 59 ILE H 89 PHE QE 5.32
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1734,1738,
&end
#
# 59 ILE QG1 89 PHE QE 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1257,1258,
igr2=1734,1738,
&end
#
# 59 ILE QG2 87 VAL QG1 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1253,1254,1255,
igr2=1703,1704,1705,
&end
#
# 60 LYS H 60 LYS HB2 3.15
&rst
ixpk= 0, nxpk= 0, iat=1266,1270, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 61 THR QG2 67 GLN H 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1381, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1294,1295,1296,
&end
#
# 62 ASN H 63 LYS H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1302,1316, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 62 ASN HB2 65 THR QG2 5.36
&rst
ixpk= 0, nxpk= 0, iat=1306, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1366,1367,1368,
&end
#
# 63 LYS HA 66 GLY H 4.46
&rst
ixpk= 0, nxpk= 0, iat=1318,1374, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 65 THR QG2 67 GLN HG2 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1366,1367,1368,
&end
#
# 66 GLY H 66 GLY HA2 2.85
&rst
ixpk= 0, nxpk= 0, iat=1374,1376, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 67 GLN HB2 67 GLN HE21 4.33
&rst
ixpk= 0, nxpk= 0, iat=1385,1394, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 68 PRO HA 70 ILE QD1 5.17
&rst
ixpk= 0, nxpk= 0, iat=1408, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1442,1443,1444,
&end
#
# 69 MET HG3 88 SER QB 4.36
&rst
ixpk= 0, nxpk= 0, iat=1420, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1717,1718,
&end
#
# 70 ILE H 87 VAL HA 5.28
&rst
ixpk= 0, nxpk= 0, iat=1429,1699, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 70 ILE HA 70 ILE HG12 3.88
&rst
ixpk= 0, nxpk= 0, iat=1431,1439, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 70 ILE QD1 87 VAL QG1 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1442,1443,1444,
igr2=1703,1704,1705,
&end
#
# 71 ASN HD21 86 THR HB 5.14
&rst
ixpk= 0, nxpk= 0, iat=1458,1687, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 72 LEU HA 72 LEU HG 4.02
&rst
ixpk= 0, nxpk= 0, iat=1464,1469, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 72 LEU HB3 73 TYR H 4.71
&rst
ixpk= 0, nxpk= 0, iat=1467,1481, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 72 LEU HG 73 TYR H 5.15
&rst
ixpk= 0, nxpk= 0, iat=1469,1481, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 73 TYR H 85 ALA HA 4.49
&rst
ixpk= 0, nxpk= 0, iat=1481,1675, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 73 TYR H 85 ALA QB 4.76
&rst
ixpk= 0, nxpk= 0, iat=1481, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1677,1678,1679,
&end
#
# 74 THR H 81 LEU HA 5.46
&rst
ixpk= 0, nxpk= 0, iat=1502,1612, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 74 THR HA 75 ASP H 3.10
&rst
ixpk= 0, nxpk= 0, iat=1504,1516, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 74 THR HA 82 LYS H 3.63
&rst
ixpk= 0, nxpk= 0, iat=1504,1629, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 74 THR QG2 80 LYS H 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1508,1509,1510,
&end
#
# 75 ASP H 82 LYS HG2 3.51
&rst
ixpk= 0, nxpk= 0, iat=1516,1636, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 78 THR H 78 THR QG2 2.91
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1573,1574,1575,
&end
#
# 78 THR H 80 LYS H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1567,1588, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 84 GLU H 85 ALA H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1658,1673, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 86 THR QG2 117 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1689,1690,1691,
&end
#
# 86 THR QG2 117 ALA QB 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1689,1690,1691,
igr2=2148,2149,2150,
&end
#
# 88 SER H 88 SER QB 3.17
&rst
ixpk= 0, nxpk= 0, iat=1713, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2=1717,1718,
&end
#
# 89 PHE H 89 PHE HB2 3.47
&rst
ixpk= 0, nxpk= 0, iat=1724,1728, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 89 PHE HZ 98 ALA QB 3.79
&rst
ixpk= 0, nxpk= 0, iat=1736, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1853,1854,1855,
&end
#
# 89 PHE QE 95 ALA HA 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1734,1738,
&end
#
# 94 SER HA 97 ALA QB 3.10
&rst
ixpk= 0, nxpk= 0, iat=1798, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1843,1844,1845,
&end
#
# 95 ALA HA 97 ALA H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1809,1839, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 96 LYS H 96 LYS HB3 3.06
&rst
ixpk= 0, nxpk= 0, iat=1817,1822, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 96 LYS HB2 116 PHE HZ 3.65
&rst
ixpk= 0, nxpk= 0, iat=1821,2136, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 97 ALA H 99 ILE QD1 5.42
&rst
ixpk= 0, nxpk= 0, iat=1839, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr2=1872,1873,1874,
&end
#
# 99 ILE H 100 ASP HB2 4.83
&rst
ixpk= 0, nxpk= 0, iat=1859,1882, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 99 ILE H 101 TRP HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1859,1895, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 99 ILE QG2 99 ILE HG13 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1870, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1865,1866,1867,
&end
#
# 100 ASP H 100 ASP HB3 3.41
&rst
ixpk= 0, nxpk= 0, iat=1878,1883, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 100 ASP HB3 101 TRP H 3.45
&rst
ixpk= 0, nxpk= 0, iat=1883,1890, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 101 TRP HB3 101 TRP HD1 3.44
&rst
ixpk= 0, nxpk= 0, iat=1895,1898, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 101 TRP HD1 102 PHE HZ 4.21
&rst
ixpk= 0, nxpk= 0, iat=1898,1926, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 101 TRP HD1 102 PHE QE 3.71
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1924,1928,
&end
#
# 102 PHE HB2 114 VAL QG2 3.81
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=2107,2108,2109,
&end
#
# 102 PHE QD 114 VAL QG2 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1=1922,1930,
igr2=2107,2108,2109,
&end
#
# 103 ASP H 103 ASP HB2 3.02
&rst
ixpk= 0, nxpk= 0, iat=1934,1938, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 103 ASP HA 112 ILE HG13 5.20
&rst
ixpk= 0, nxpk= 0, iat=1936,2067, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 104 GLY H 105 LYS HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1946,1957, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 104 GLY H 112 ILE QD1 4.42
&rst
ixpk= 0, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2069,2070,2071,
&end
#
# 105 LYS HD3 106 GLU H 4.37
&rst
ixpk= 0, nxpk= 0, iat=1964,1975, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 106 GLU H 112 ILE QD1 4.97
&rst
ixpk= 0, nxpk= 0, iat=1975, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2069,2070,2071,
&end
#
# 106 GLU HB2 109 GLY HA2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1979,2023, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 107 PHE H 107 PHE HB3 3.28
&rst
ixpk= 0, nxpk= 0, iat=1990,1995, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 107 PHE HA 107 PHE QE 4.94
&rst
ixpk= 0, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2000,2004,
&end
#
# 108 SER HB2 110 ASN HD21 4.51
&rst
ixpk= 0, nxpk= 0, iat=2014,2038, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 109 GLY HA2 110 ASN QB 5.12
&rst
ixpk= 0, nxpk= 0, iat=2023, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2032,2033,
&end
#
# 110 ASN QB 112 ILE QG2 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1=2032,2033,
igr2=2062,2063,2064,
&end
#
# 112 ILE H 112 ILE HG13 3.27
&rst
ixpk= 0, nxpk= 0, iat=2056,2067, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 114 VAL HA 114 VAL QG2 3.69
&rst
ixpk= 0, nxpk= 0, iat=2099, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2107,2108,2109,
&end
#
# 114 VAL HB 115 SER H 4.15
&rst
ixpk= 0, nxpk= 0, iat=2101,2113, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 117 ALA HA 118 THR QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2146, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2160,2161,2162,
&end
#
# 118 THR H 118 THR QG2 3.84
&rst
ixpk= 0, nxpk= 0, iat=2154, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=2160,2161,2162,
&end
#
# 121 ALA H 123 PHE H 4.63
&rst
ixpk= 0, nxpk= 0, iat=2216,2238, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 122 ASP HA 125 ARG QD 5.11
&rst
ixpk= 0, nxpk= 0, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=2282,2283,
&end
#
# 123 PHE H 123 PHE HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat=2238,2243, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 28 ASP H 28 ASP QB 3.16
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 788, 789,
&end
#
# 28 ASP H 29 ASN H 4.11
&rst
ixpk= 0, nxpk= 0, iat= 784, 796, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 29 ASN HA 32 ASN HD21 5.97
&rst
ixpk= 0, nxpk= 0, iat= 798, 843, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, &end
#
# 29 ASN HD21 116 PHE QD 3.95
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=2132,2140,
&end
#
# 30 SER H 31 ASP H 3.39
&rst
ixpk= 0, nxpk= 0, iat= 810, 821, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 32 ASN H 32 ASN HB2 3.53
&rst
ixpk= 0, nxpk= 0, iat= 833, 837, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 32 ASN H 32 ASN HD21 5.99
&rst
ixpk= 0, nxpk= 0, iat= 833, 843, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, &end
#
# 32 ASN H 33 ASN H 5.07
&rst
ixpk= 0, nxpk= 0, iat= 833, 847, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 32 ASN HA 34 THR H 5.92
&rst
ixpk= 0, nxpk= 0, iat= 835, 861, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, &end
#
# 32 ASN HD21 117 ALA QB 5.99
&rst
ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr2=2148,2149,2150,
&end
#
# 33 ASN H 95 ALA QB 5.97
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr2=1811,1812,1813,
&end
#
# 33 ASN HB2 95 ALA QB 5.87
&rst
ixpk= 0, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr2=1811,1812,1813,
&end
#
# 33 ASN HD21 89 PHE H 5.95
&rst
ixpk= 0, nxpk= 0, iat= 857,1724, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45, &end
#
# 33 ASN HD22 60 LYS QD 5.92
&rst
ixpk= 0, nxpk= 0, iat= 856, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr2=1276,1277,
&end
#
# 34 THR HB 117 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat= 865,2144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 34 THR QG2 35 ILE HA 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 867, 868, 869,
&end
#
# 34 THR QG2 87 VAL H 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1697, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 867, 868, 869,
&end
#
# 34 THR QG2 88 SER HA 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1715, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 867, 868, 869,
&end
#
# 35 ILE H 88 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= 875,1713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ILE HB 115 SER H 3.91
&rst
ixpk= 0, nxpk= 0, iat= 879,2113, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 35 ILE HG13 89 PHE QD 4.54
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1732,1740,
&end
#
# 35 ILE QD1 95 ALA QB 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 888, 889, 890,
igr2=1811,1812,1813,
&end
#
# 35 ILE QD1 98 ALA H 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 888, 889, 890,
&end
#
# 35 ILE QG2 35 ILE HG13 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 881, 882, 883,
&end
#
# 36 PHE H 116 PHE HA 4.22
&rst
ixpk= 0, nxpk= 0, iat= 894,2126, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 37 VAL HA 85 ALA H 5.10
&rst
ixpk= 0, nxpk= 0, iat= 916,1673, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 38 GLN HA 84 GLU QG 3.39
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1665,1666,
&end
#
# 39 GLY HA2 112 ILE HA 4.19
&rst
ixpk= 0, nxpk= 0, iat= 949,2058, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 40 LEU QD2 49 VAL H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 967, 968, 969,
&end
#
# 41 GLY H 44 VAL HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLY H 107 PHE QE 5.50
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=2000,2004,
&end
#
# 41 GLY HA3 110 ASN HD21 4.13
&rst
ixpk= 0, nxpk= 0, iat= 976,2038, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 41 GLY HA3 110 ASN HD22 4.19
&rst
ixpk= 0, nxpk= 0, iat= 976,2037, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 44 VAL H 44 VAL HB 3.71
&rst
ixpk= 0, nxpk= 0, iat=1009,1013, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 44 VAL H 81 LEU HB3 4.96
&rst
ixpk= 0, nxpk= 0, iat=1009,1615, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 44 VAL HA 107 PHE QE 4.15
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=2000,2004,
&end
#
# 44 VAL HB 45 THR H 3.44
&rst
ixpk= 0, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 45 THR HB 47 GLU HB2 4.98
&rst
ixpk= 0, nxpk= 0, iat=1029,1062, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 46 ILE H 72 LEU QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1471,1472,1473,
&end
#
# 46 ILE HA 50 ALA H 4.27
&rst
ixpk= 0, nxpk= 0, iat=1041,1100, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 46 ILE HA 50 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1104,1105,1106,
&end
#
# 46 ILE HB 47 GLU HG3 4.90
&rst
ixpk= 0, nxpk= 0, iat=1043,1066, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 46 ILE HG13 70 ILE HB 5.13
&rst
ixpk= 0, nxpk= 0, iat=1050,1433, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 46 ILE QG2 46 ILE HG12 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1049, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 47 GLU HB2 5.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 47 GLU HG3 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 70 ILE QG2 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1045,1046,1047,
igr2=1435,1436,1437,
&end
#
# 47 GLU H 47 GLU HG3 3.56
&rst
ixpk= 0, nxpk= 0, iat=1058,1066, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 48 SER H 48 SER HG 4.43
&rst
ixpk= 0, nxpk= 0, iat=1073,1080, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 48 SER HA 51 ASP HB3 3.95
&rst
ixpk= 0, nxpk= 0, iat=1075,1115, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 49 VAL H 51 ASP HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1084,1114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL HA 52 TYR H 3.66
&rst
ixpk= 0, nxpk= 0, iat=1086,1122, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 49 VAL HA 107 PHE HZ 3.97
&rst
ixpk= 0, nxpk= 0, iat=1086,2002, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 VAL HB 70 ILE QG2 4.29
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1435,1436,1437,
&end
#
# 50 ALA HA 54 LYS H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1102,1163, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 50 ALA QB 59 ILE HB 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 87 VAL QG2 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1104,1105,1106,
igr2=1707,1708,1709,
&end
#
# 51 ASP HA 54 LYS H 4.05
&rst
ixpk= 0, nxpk= 0, iat=1112,1163, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 51 ASP HA 59 ILE QD1 5.20
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2=1260,1261,1262,
&end
#
# 52 TYR HA 52 TYR QD 3.31
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1130,1139,
&end
#
# 52 TYR HA 55 GLN HE21 3.78
&rst
ixpk= 0, nxpk= 0, iat=1124,1198, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 52 TYR QD 107 PHE QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1130,1139,
igr2=2000,2004,
&end
#
# 52 TYR QE 112 ILE QD1 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1132,1137,
igr2=2069,2070,2071,
&end
#
# 53 PHE H 54 LYS HA 4.94
&rst
ixpk= 0, nxpk= 0, iat=1143,1165, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 53 PHE HB3 89 PHE HZ 4.26
&rst
ixpk= 0, nxpk= 0, iat=1148,1736, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 53 PHE HB3 89 PHE QE 4.84
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1734,1738,
&end
#
# 53 PHE HB3 102 PHE QE 5.41
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1924,1928,
&end
#
# 53 PHE HZ 102 PHE HB3 5.50
&rst
ixpk= 0, nxpk= 0, iat=1155,1919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 PHE QD 54 LYS H 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1163, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1151,1159,
&end
#
# 53 PHE QD 102 PHE QE 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1151,1159,
igr2=1924,1928,
&end
#
# 53 PHE QE 102 PHE HB3 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1919, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1153,1157,
&end
#
# 53 PHE QE 102 PHE QD 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1153,1157,
igr2=1922,1930,
&end
#
# 54 LYS H 54 LYS HG2 3.16
&rst
ixpk= 0, nxpk= 0, iat=1163,1170, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 54 LYS H 55 GLN HG2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1163,1192, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 54 LYS HA 54 LYS HD3 4.91
&rst
ixpk= 0, nxpk= 0, iat=1165,1174, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 54 LYS HB2 58 ILE HA 5.15
&rst
ixpk= 0, nxpk= 0, iat=1167,1230, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 54 LYS QE 59 ILE QD1 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1176,1177,
igr2=1260,1261,1262,
&end
#
# 55 GLN HB2 55 GLN HE21 4.20
&rst
ixpk= 0, nxpk= 0, iat=1189,1198, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 56 ILE H 56 ILE HB 3.09
&rst
ixpk= 0, nxpk= 0, iat=1202,1206, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 56 ILE H 56 ILE HG13 4.12
&rst
ixpk= 0, nxpk= 0, iat=1202,1213, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 56 ILE H 57 GLY H 2.68
&rst
ixpk= 0, nxpk= 0, iat=1202,1221, r1= 1.30, r2= 1.80, r3= 2.68, r4= 3.18, &end
#
# 56 ILE HA 56 ILE HG12 3.89
&rst
ixpk= 0, nxpk= 0, iat=1204,1212, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 56 ILE HB 102 PHE QD 5.13
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1922,1930,
&end
#
# 56 ILE QD1 97 ALA QB 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1215,1216,1217,
igr2=1843,1844,1845,
&end
#
# 56 ILE QG2 57 GLY HA3 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1224, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 97 ALA H 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1839, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 101 TRP HD1 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1208,1209,1210,
&end
#
# 58 ILE HA 58 ILE QD1 3.90
&rst
ixpk= 0, nxpk= 0, iat=1230, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1241,1242,1243,
&end
#
# 59 ILE QD1 89 PHE HZ 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1260,1261,1262,
&end
#
# 59 ILE QG2 68 PRO HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1253,1254,1255,
&end
#
# 59 ILE QG2 68 PRO HB3 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1406, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1253,1254,1255,
&end
#
# 59 ILE QG2 69 MET HB3 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1253,1254,1255,
&end
#
# 60 LYS H 60 LYS HB3 3.26
&rst
ixpk= 0, nxpk= 0, iat=1266,1271, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 60 LYS H 60 LYS QE 4.95
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1279,1280,
&end
#
# 60 LYS H 88 SER QB 4.48
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1717,1718,
&end
#
# 60 LYS HA 60 LYS HG3 3.76
&rst
ixpk= 0, nxpk= 0, iat=1268,1274, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 61 THR HA 68 PRO HA 3.30
&rst
ixpk= 0, nxpk= 0, iat=1290,1408, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 61 THR HA 68 PRO HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat=1290,1406, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 61 THR QG2 66 GLY H 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1374, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1294,1295,1296,
&end
#
# 61 THR QG2 68 PRO HA 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1408, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1294,1295,1296,
&end
#
# 62 ASN HA 69 MET QE 3.35
&rst
ixpk= 0, nxpk= 0, iat=1304, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1423,1424,1425,
&end
#
# 62 ASN HD22 69 MET HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1311,1414, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 LYS H 69 MET QE 4.72
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1423,1424,1425,
&end
#
# 65 THR H 65 THR QG2 3.05
&rst
ixpk= 0, nxpk= 0, iat=1360, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1366,1367,1368,
&end
#
# 65 THR QG2 67 GLN HG3 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1366,1367,1368,
&end
#
# 67 GLN H 67 GLN HG2 3.20
&rst
ixpk= 0, nxpk= 0, iat=1381,1388, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 69 MET H 69 MET HG3 3.30
&rst
ixpk= 0, nxpk= 0, iat=1412,1420, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 69 MET HA 69 MET HG3 3.65
&rst
ixpk= 0, nxpk= 0, iat=1414,1420, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 MET HB3 70 ILE QD1 5.49
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2=1442,1443,1444,
&end
#
# 70 ILE H 71 ASN H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1429,1448, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 70 ILE HA 70 ILE QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1442,1443,1444,
&end
#
# 70 ILE HA 71 ASN H 3.15
&rst
ixpk= 0, nxpk= 0, iat=1431,1448, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 70 ILE QG2 71 ASN HA 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1450, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1435,1436,1437,
&end
#
# 71 ASN H 85 ALA HA 4.60
&rst
ixpk= 0, nxpk= 0, iat=1448,1675, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 71 ASN HD21 72 LEU H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ASN HD21 86 THR H 4.68
&rst
ixpk= 0, nxpk= 0, iat=1458,1683, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 72 LEU H 72 LEU HB3 3.62
&rst
ixpk= 0, nxpk= 0, iat=1462,1467, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 72 LEU H 73 TYR QD 5.16
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1489,1498,
&end
#
# 72 LEU H 85 ALA HA 5.31
&rst
ixpk= 0, nxpk= 0, iat=1462,1675, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 73 TYR HB2 74 THR H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1485,1502, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 73 TYR QD 84 GLU QG 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1489,1498,
igr2=1665,1666,
&end
#
# 73 TYR QE 85 ALA H 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1673, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1=1491,1496,
&end
#
# 74 THR H 82 LYS HG2 5.02
&rst
ixpk= 0, nxpk= 0, iat=1502,1636, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 74 THR HA 82 LYS HG2 4.40
&rst
ixpk= 0, nxpk= 0, iat=1504,1636, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 74 THR HB 79 GLY HA2 5.44
&rst
ixpk= 0, nxpk= 0, iat=1506,1583, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 75 ASP HB2 79 GLY H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1520,1581, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 77 GLU QB 78 THR QG2 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1556,1557,
igr2=1573,1574,1575,
&end
#
# 78 THR H 80 LYS QG 5.27
&rst
ixpk= 0, nxpk= 0, iat=1567, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1595,1596,
&end
#
# 78 THR HB 79 GLY H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1571,1581, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 82 LYS HA 82 LYS HG2 3.44
&rst
ixpk= 0, nxpk= 0, iat=1631,1636, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 82 LYS HG2 84 GLU H 5.33
&rst
ixpk= 0, nxpk= 0, iat=1636,1658, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 84 GLU H 84 GLU HB3 4.14
&rst
ixpk= 0, nxpk= 0, iat=1658,1663, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 84 GLU HA 85 ALA QB 4.95
&rst
ixpk= 0, nxpk= 0, iat=1660, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1677,1678,1679,
&end
#
# 84 GLU HB2 85 ALA H 4.02
&rst
ixpk= 0, nxpk= 0, iat=1662,1673, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 86 THR H 87 VAL H 4.65
&rst
ixpk= 0, nxpk= 0, iat=1683,1697, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 89 PHE H 89 PHE HB3 3.63
&rst
ixpk= 0, nxpk= 0, iat=1724,1729, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 89 PHE H 89 PHE QD 3.37
&rst
ixpk= 0, nxpk= 0, iat=1724, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1732,1740,
&end
#
# 89 PHE HA 89 PHE QD 4.05
&rst
ixpk= 0, nxpk= 0, iat=1726, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1732,1740,
&end
#
# 89 PHE HA 91 ASP H 4.38
&rst
ixpk= 0, nxpk= 0, iat=1726,1756, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 89 PHE QD 91 ASP H 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1756, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1732,1740,
&end
#
# 89 PHE QD 94 SER HB3 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1801, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1732,1740,
&end
#
# 91 ASP H 94 SER H 4.83
&rst
ixpk= 0, nxpk= 0, iat=1756,1796, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 91 ASP HB2 92 PRO HD2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1760,1769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 92 PRO HA 95 ALA QB 3.94
&rst
ixpk= 0, nxpk= 0, iat=1778, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1811,1812,1813,
&end
#
# 92 PRO HD2 93 PRO HD2 4.89
&rst
ixpk= 0, nxpk= 0, iat=1769,1783, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 92 PRO QG 93 PRO HB3 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1790, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1772,1773,
&end
#
# 93 PRO HA 97 ALA H 4.89
&rst
ixpk= 0, nxpk= 0, iat=1792,1839, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 93 PRO HD3 94 SER H 3.97
&rst
ixpk= 0, nxpk= 0, iat=1784,1796, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 94 SER H 95 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat=1796, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1811,1812,1813,
&end
#
# 94 SER HB3 97 ALA QB 5.27
&rst
ixpk= 0, nxpk= 0, iat=1801, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1843,1844,1845,
&end
#
# 95 ALA H 95 ALA QB 2.81
&rst
ixpk= 0, nxpk= 0, iat=1807, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1811,1812,1813,
&end
#
# 95 ALA QB 96 LYS HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1821, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1=1811,1812,1813,
&end
#
# 95 ALA QB 117 ALA H 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1811,1812,1813,
&end
#
# 96 LYS HA 116 PHE QD 4.95
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=2132,2140,
&end
#
# 97 ALA H 99 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1839,1859, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 97 ALA H 116 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1839,2136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 ALA HA 100 ASP H 4.06
&rst
ixpk= 0, nxpk= 0, iat=1841,1878, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 97 ALA QB 98 ALA H 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1=1843,1844,1845,
&end
#
# 97 ALA QB 101 TRP H 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1890, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1843,1844,1845,
&end
#
# 98 ALA H 99 ILE HA 5.32
&rst
ixpk= 0, nxpk= 0, iat=1849,1861, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 98 ALA QB 102 PHE QD 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1853,1854,1855,
igr2=1922,1930,
&end
#
# 98 ALA QB 114 VAL QG1 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1853,1854,1855,
igr2=2103,2104,2105,
&end
#
# 99 ILE QD1 116 PHE QE 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1872,1873,1874,
igr2=2134,2138,
&end
#
# 99 ILE QG2 103 ASP H 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1865,1866,1867,
&end
#
# 99 ILE QG2 116 PHE H 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,2124, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1865,1866,1867,
&end
#
# 100 ASP H 101 TRP HB3 5.16
&rst
ixpk= 0, nxpk= 0, iat=1878,1895, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 101 TRP HB2 101 TRP HE3 3.79
&rst
ixpk= 0, nxpk= 0, iat=1894,1909, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 102 PHE H 103 ASP HB2 5.00
&rst
ixpk= 0, nxpk= 0, iat=1914,1938, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 102 PHE H 114 VAL QG2 4.33
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2107,2108,2109,
&end
#
# 102 PHE HA 102 PHE QD 3.46
&rst
ixpk= 0, nxpk= 0, iat=1916, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1922,1930,
&end
#
# 102 PHE HB2 112 ILE QD1 4.79
&rst
ixpk= 0, nxpk= 0, iat=1918, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=2069,2070,2071,
&end
#
# 102 PHE QD 105 LYS HB3 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1958, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1922,1930,
&end
#
# 103 ASP HA 112 ILE QD1 4.81
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=2069,2070,2071,
&end
#
# 104 GLY H 112 ILE HG13 3.85
&rst
ixpk= 0, nxpk= 0, iat=1946,2067, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 105 LYS HB2 106 GLU H 3.50
&rst
ixpk= 0, nxpk= 0, iat=1957,1975, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 106 GLU HA 106 GLU HG3 3.75
&rst
ixpk= 0, nxpk= 0, iat=1977,1983, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 106 GLU HB2 110 ASN H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1979,2028, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 106 GLU HB3 107 PHE H 4.19
&rst
ixpk= 0, nxpk= 0, iat=1980,1990, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 106 GLU HB3 110 ASN H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1980,2028, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 107 PHE H 107 PHE HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat=1990,1994, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 107 PHE H 110 ASN QB 4.02
&rst
ixpk= 0, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2=2032,2033,
&end
#
# 107 PHE H 112 ILE QG2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1990, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=2062,2063,2064,
&end
#
# 107 PHE HA 112 ILE QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat=1992, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=2069,2070,2071,
&end
#
# 108 SER H 109 GLY H 4.03
&rst
ixpk= 0, nxpk= 0, iat=2010,2021, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 112 ILE H 112 ILE HB 3.99
&rst
ixpk= 0, nxpk= 0, iat=2056,2060, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 112 ILE H 112 ILE QG2 3.25
&rst
ixpk= 0, nxpk= 0, iat=2056, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=2062,2063,2064,
&end
#
# 112 ILE HG13 114 VAL QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=2067, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=2107,2108,2109,
&end
#
# 113 LYS HA 113 LYS QD 4.39
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=2085,2086,
&end
#
# 114 VAL H 114 VAL HB 3.43
&rst
ixpk= 0, nxpk= 0, iat=2097,2101, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 116 PHE H 117 ALA H 4.50
&rst
ixpk= 0, nxpk= 0, iat=2124,2144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 118 THR QG2 119 ARG H 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,2168, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=2160,2161,2162,
&end
#
# 119 ARG H 119 ARG HB3 3.71
&rst
ixpk= 0, nxpk= 0, iat=2168,2173, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 119 ARG HA 119 ARG QD 4.23
&rst
ixpk= 0, nxpk= 0, iat=2170, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=2178,2179,
&end
#
# 119 ARG QD 121 ALA QB 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1=2178,2179,
igr2=2220,2221,2222,
&end
#
# 120 ARG HA 123 PHE QE 4.79
&rst
ixpk= 0, nxpk= 0, iat=2194, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2248,2252,
&end
#
# 120 ARG QD 123 PHE QD 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1=2202,2203,
igr2=2246,2254,
&end
#
# 122 ASP H 123 PHE H 3.11
&rst
ixpk= 0, nxpk= 0, iat=2226,2238, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 124 ASN HB2 125 ARG H 4.13
&rst
ixpk= 0, nxpk= 0, iat=2262,2272, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 27 MET HB3 28 ASP H 4.73
&rst
ixpk= 0, nxpk= 0, iat= 772, 784, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 27 MET HG2 27 MET QE 4.46
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 778, 779, 780,
&end
#
# 29 ASN HA 32 ASN HB2 4.54
&rst
ixpk= 0, nxpk= 0, iat= 798, 837, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 29 ASN HD22 116 PHE HB2 4.70
&rst
ixpk= 0, nxpk= 0, iat= 805,2128, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 33 ASN H 33 ASN HB2 4.15
&rst
ixpk= 0, nxpk= 0, iat= 847, 851, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 33 ASN HA 92 PRO HA 4.83
&rst
ixpk= 0, nxpk= 0, iat= 849,1778, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 33 ASN HA 95 ALA H 5.94
&rst
ixpk= 0, nxpk= 0, iat= 849,1807, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, &end
#
# 33 ASN HA 95 ALA QB 4.45
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1811,1812,1813,
&end
#
# 33 ASN HB2 34 THR H 4.88
&rst
ixpk= 0, nxpk= 0, iat= 851, 861, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 33 ASN HB2 92 PRO HA 4.51
&rst
ixpk= 0, nxpk= 0, iat= 851,1778, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 33 ASN HB3 34 THR H 5.89
&rst
ixpk= 0, nxpk= 0, iat= 852, 861, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, &end
#
# 34 THR H 35 ILE H 4.48
&rst
ixpk= 0, nxpk= 0, iat= 861, 875, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 34 THR HA 87 VAL H 5.35
&rst
ixpk= 0, nxpk= 0, iat= 863,1697, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 34 THR HA 88 SER H 5.34
&rst
ixpk= 0, nxpk= 0, iat= 863,1713, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 34 THR HA 88 SER HA 3.38
&rst
ixpk= 0, nxpk= 0, iat= 863,1715, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 34 THR HA 95 ALA QB 4.80
&rst
ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1811,1812,1813,
&end
#
# 35 ILE H 35 ILE QD1 4.03
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 888, 889, 890,
&end
#
# 35 ILE H 36 PHE H 4.81
&rst
ixpk= 0, nxpk= 0, iat= 875, 894, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 35 ILE H 89 PHE QD 4.77
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1732,1740,
&end
#
# 35 ILE H 89 PHE QE 4.58
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1734,1738,
&end
#
# 35 ILE HA 95 ALA QB 4.62
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1811,1812,1813,
&end
#
# 35 ILE HA 114 VAL QG1 4.61
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=2103,2104,2105,
&end
#
# 35 ILE HA 117 ALA QB 4.17
&rst
ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=2148,2149,2150,
&end
#
# 35 ILE HB 117 ALA H 4.83
&rst
ixpk= 0, nxpk= 0, iat= 879,2144, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 35 ILE HG13 89 PHE QE 4.85
&rst
ixpk= 0, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1734,1738,
&end
#
# 35 ILE QD1 36 PHE H 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 888, 889, 890,
&end
#
# 35 ILE QD1 53 PHE HB2 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 888, 889, 890,
&end
#
# 35 ILE QD1 89 PHE HZ 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1736, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 888, 889, 890,
&end
#
# 35 ILE QD1 95 ALA HA 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 888, 889, 890,
&end
#
# 35 ILE QD1 98 ALA HA 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 888, 889, 890,
&end
#
# 35 ILE QD1 98 ALA QB 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 888, 889, 890,
igr2=1853,1854,1855,
&end
#
# 35 ILE QD1 102 PHE HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 888, 889, 890,
&end
#
# 35 ILE QD1 114 VAL QG1 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 888, 889, 890,
igr2=2103,2104,2105,
&end
#
# 35 ILE QD1 114 VAL QG2 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 888, 889, 890,
igr2=2107,2108,2109,
&end
#
# 35 ILE QD1 115 SER H 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 888, 889, 890,
&end
#
# 35 ILE QG2 35 ILE QD1 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 881, 882, 883,
igr2= 888, 889, 890,
&end
#
# 35 ILE QG2 36 PHE H 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 881, 882, 883,
&end
#
# 35 ILE QG2 89 PHE QD 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 881, 882, 883,
igr2=1732,1740,
&end
#
# 35 ILE QG2 99 ILE QD1 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 881, 882, 883,
igr2=1872,1873,1874,
&end
#
# 35 ILE QG2 117 ALA H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 881, 882, 883,
&end
#
# 36 PHE H 36 PHE HB2 3.48
&rst
ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 36 PHE H 36 PHE HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 36 PHE H 36 PHE QD 4.47
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 902, 910,
&end
#
# 36 PHE H 86 THR HA 5.27
&rst
ixpk= 0, nxpk= 0, iat= 894,1685, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 36 PHE H 117 ALA QB 3.73
&rst
ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=2148,2149,2150,
&end
#
# 36 PHE HA 86 THR HB 4.64
&rst
ixpk= 0, nxpk= 0, iat= 896,1687, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 36 PHE HA 87 VAL H 4.45
&rst
ixpk= 0, nxpk= 0, iat= 896,1697, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 36 PHE HA 115 SER H 5.11
&rst
ixpk= 0, nxpk= 0, iat= 896,2113, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 36 PHE HA 117 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat= 896,2146, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 PHE HB2 37 VAL H 4.67
&rst
ixpk= 0, nxpk= 0, iat= 898, 914, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 36 PHE HB3 117 ALA QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= 899, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=2148,2149,2150,
&end
#
# 36 PHE QD 37 VAL H 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 902, 910,
&end
#
# 36 PHE QD 86 THR QG2 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 902, 910,
igr2=1689,1690,1691,
&end
#
# 36 PHE QD 115 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 902, 910,
&end
#
# 36 PHE QD 117 ALA QB 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 902, 910,
igr2=2148,2149,2150,
&end
#
# 37 VAL H 37 VAL HB 3.87
&rst
ixpk= 0, nxpk= 0, iat= 914, 918, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 37 VAL H 86 THR HA 3.92
&rst
ixpk= 0, nxpk= 0, iat= 914,1685, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 37 VAL QG1 38 GLN H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 920, 921, 922,
&end
#
# 37 VAL QG2 53 PHE HZ 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 924, 925, 926,
&end
#
# 37 VAL QG2 114 VAL QG2 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 924, 925, 926,
igr2=2107,2108,2109,
&end
#
# 38 GLN H 112 ILE HA 4.35
&rst
ixpk= 0, nxpk= 0, iat= 930,2058, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 38 GLN HA 38 GLN HG3 4.06
&rst
ixpk= 0, nxpk= 0, iat= 932, 938, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 38 GLN HA 39 GLY H 3.28
&rst
ixpk= 0, nxpk= 0, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 38 GLN HA 84 GLU HA 3.53
&rst
ixpk= 0, nxpk= 0, iat= 932,1660, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 38 GLN HB3 39 GLY HA3 5.50
&rst
ixpk= 0, nxpk= 0, iat= 935, 950, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 GLY H 84 GLU H 5.17
&rst
ixpk= 0, nxpk= 0, iat= 947,1658, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 39 GLY H 112 ILE HA 4.64
&rst
ixpk= 0, nxpk= 0, iat= 947,2058, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 39 GLY H 112 ILE QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=2062,2063,2064,
&end
#
# 39 GLY HA3 41 GLY H 5.39
&rst
ixpk= 0, nxpk= 0, iat= 950, 973, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 39 GLY HA3 112 ILE HB 5.50
&rst
ixpk= 0, nxpk= 0, iat= 950,2060, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 LEU H 40 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 963, 964, 965,
&end
#
# 40 LEU H 40 LEU QD2 4.00
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 967, 968, 969,
&end
#
# 40 LEU H 41 GLY H 3.38
&rst
ixpk= 0, nxpk= 0, iat= 954, 973, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 40 LEU HA 40 LEU HG 4.09
&rst
ixpk= 0, nxpk= 0, iat= 956, 961, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 40 LEU HA 112 ILE QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=2062,2063,2064,
&end
#
# 40 LEU QB 41 GLY H 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 958, 959,
&end
#
# 40 LEU QB 44 VAL QG2 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 958, 959,
igr2=1019,1020,1021,
&end
#
# 40 LEU QB 83 GLY HA3 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1654, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 958, 959,
&end
#
# 40 LEU QD1 112 ILE QG2 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 963, 964, 965,
igr2=2062,2063,2064,
&end
#
# 40 LEU QD2 44 VAL QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 967, 968, 969,
igr2=1019,1020,1021,
&end
#
# 41 GLY HA2 110 ASN HD21 4.40
&rst
ixpk= 0, nxpk= 0, iat= 975,2038, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 42 GLU HA 81 LEU HB2 4.21
&rst
ixpk= 0, nxpk= 0, iat= 982,1614, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 42 GLU HA 81 LEU QD1 5.13
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1619,1620,1621,
&end
#
# 43 ASN HA 43 ASN HD21 4.21
&rst
ixpk= 0, nxpk= 0, iat= 997,1005, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 44 VAL H 81 LEU HB2 4.96
&rst
ixpk= 0, nxpk= 0, iat=1009,1614, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 44 VAL HA 45 THR QG2 4.13
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1031,1032,1033,
&end
#
# 44 VAL QG2 107 PHE QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1019,1020,1021,
igr2=2000,2004,
&end
#
# 45 THR H 107 PHE QE 4.71
&rst
ixpk= 0, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=2000,2004,
&end
#
# 45 THR HB 47 GLU HB3 5.24
&rst
ixpk= 0, nxpk= 0, iat=1029,1063, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 45 THR QG2 46 ILE H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1039, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1031,1032,1033,
&end
#
# 46 ILE H 47 GLU H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1039,1058, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 46 ILE H 47 GLU HB2 4.73
&rst
ixpk= 0, nxpk= 0, iat=1039,1062, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 46 ILE H 72 LEU QD2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1039, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1475,1476,1477,
&end
#
# 46 ILE HA 48 SER H 4.64
&rst
ixpk= 0, nxpk= 0, iat=1041,1073, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 46 ILE HA 70 ILE QD1 4.64
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1442,1443,1444,
&end
#
# 46 ILE HA 72 LEU QD1 4.75
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1471,1472,1473,
&end
#
# 46 ILE HA 72 LEU QD2 4.75
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1475,1476,1477,
&end
#
# 46 ILE HG12 70 ILE HB 4.47
&rst
ixpk= 0, nxpk= 0, iat=1049,1433, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 46 ILE HG12 72 LEU HG 5.06
&rst
ixpk= 0, nxpk= 0, iat=1049,1469, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 46 ILE QG2 47 GLU HA 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 68 PRO HD2 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 68 PRO HD3 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1045,1046,1047,
&end
#
# 46 ILE QG2 70 ILE HB 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1=1045,1046,1047,
&end
#
# 47 GLU H 49 VAL H 4.73
&rst
ixpk= 0, nxpk= 0, iat=1058,1084, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 47 GLU HA 47 GLU HG3 3.58
&rst
ixpk= 0, nxpk= 0, iat=1060,1066, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 47 GLU HG2 50 ALA QB 4.88
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1104,1105,1106,
&end
#
# 47 GLU HG3 50 ALA QB 5.22
&rst
ixpk= 0, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1104,1105,1106,
&end
#
# 48 SER H 49 VAL H 2.98
&rst
ixpk= 0, nxpk= 0, iat=1073,1084, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 48 SER H 51 ASP HB2 5.19
&rst
ixpk= 0, nxpk= 0, iat=1073,1114, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 48 SER HB2 49 VAL H 3.89
&rst
ixpk= 0, nxpk= 0, iat=1077,1084, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 49 VAL H 50 ALA HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1084,1102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 VAL H 50 ALA QB 4.55
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1104,1105,1106,
&end
#
# 49 VAL HA 49 VAL QG1 3.70
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1090,1091,1092,
&end
#
# 49 VAL HA 49 VAL QG2 3.70
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1094,1095,1096,
&end
#
# 49 VAL HA 52 TYR HB2 4.50
&rst
ixpk= 0, nxpk= 0, iat=1086,1126, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 VAL HA 52 TYR HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1086,1127, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 49 VAL HA 53 PHE H 4.86
&rst
ixpk= 0, nxpk= 0, iat=1086,1143, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 49 VAL HA 107 PHE QE 3.54
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=2000,2004,
&end
#
# 49 VAL HB 51 ASP H 5.41
&rst
ixpk= 0, nxpk= 0, iat=1088,1110, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 50 ALA H 107 PHE QE 5.32
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=2000,2004,
&end
#
# 50 ALA HA 53 PHE H 4.11
&rst
ixpk= 0, nxpk= 0, iat=1102,1143, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 50 ALA HA 59 ILE QD1 3.39
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1260,1261,1262,
&end
#
# 50 ALA HA 68 PRO HB2 4.67
&rst
ixpk= 0, nxpk= 0, iat=1102,1405, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 50 ALA QB 51 ASP H 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 51 ASP HA 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 52 TYR H 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1122, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 53 PHE H 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 54 LYS HG2 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 59 ILE QD1 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1104,1105,1106,
igr2=1260,1261,1262,
&end
#
# 50 ALA QB 68 PRO HD2 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 68 PRO HG2 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1402, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1104,1105,1106,
&end
#
# 50 ALA QB 87 VAL QG1 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1=1104,1105,1106,
igr2=1703,1704,1705,
&end
#
# 51 ASP HA 54 LYS HB2 4.56
&rst
ixpk= 0, nxpk= 0, iat=1112,1167, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 51 ASP HA 54 LYS HD2 3.92
&rst
ixpk= 0, nxpk= 0, iat=1112,1173, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 52 TYR H 59 ILE QD1 4.57
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1260,1261,1262,
&end
#
# 52 TYR H 107 PHE QD 4.77
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2=1998,2006,
&end
#
# 52 TYR H 107 PHE QE 3.83
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=2000,2004,
&end
#
# 52 TYR HB3 107 PHE HZ 5.08
&rst
ixpk= 0, nxpk= 0, iat=1127,2002, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 52 TYR HB3 107 PHE QE 4.03
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=2000,2004,
&end
#
# 52 TYR QD 53 PHE H 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1130,1139,
&end
#
# 52 TYR QD 55 GLN HE22 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1130,1139,
&end
#
# 52 TYR QE 53 PHE QE 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1132,1137,
igr2=1153,1157,
&end
#
# 52 TYR QE 55 GLN HE21 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1132,1137,
&end
#
# 52 TYR QE 55 GLN HE22 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1132,1137,
&end
#
# 52 TYR QE 102 PHE H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1132,1137,
&end
#
# 52 TYR QE 102 PHE HB2 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1=1132,1137,
&end
#
# 52 TYR QE 102 PHE QD 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1132,1137,
igr2=1922,1930,
&end
#
# 52 TYR QE 112 ILE HG13 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,2067, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1132,1137,
&end
#
# 52 TYR QE 114 VAL QG2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1132,1137,
igr2=2107,2108,2109,
&end
#
# 53 PHE H 53 PHE HB2 3.46
&rst
ixpk= 0, nxpk= 0, iat=1143,1147, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 53 PHE H 53 PHE QD 3.33
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1151,1159,
&end
#
# 53 PHE H 54 LYS HG2 4.79
&rst
ixpk= 0, nxpk= 0, iat=1143,1170, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 53 PHE H 59 ILE QD1 3.81
&rst
ixpk= 0, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1260,1261,1262,
&end
#
# 53 PHE HA 53 PHE QD 3.36
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1151,1159,
&end
#
# 53 PHE HA 53 PHE QE 4.61
&rst
ixpk= 0, nxpk= 0, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1153,1157,
&end
#
# 53 PHE HA 57 GLY H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1145,1221, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 53 PHE HB2 89 PHE HZ 3.98
&rst
ixpk= 0, nxpk= 0, iat=1147,1736, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 53 PHE HB2 89 PHE QE 4.50
&rst
ixpk= 0, nxpk= 0, iat=1147, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1734,1738,
&end
#
# 53 PHE HB3 54 LYS H 3.81
&rst
ixpk= 0, nxpk= 0, iat=1148,1163, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 53 PHE QE 114 VAL QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1153,1157,
igr2=2107,2108,2109,
&end
#
# 54 LYS H 54 LYS HB2 3.63
&rst
ixpk= 0, nxpk= 0, iat=1163,1167, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 54 LYS H 59 ILE QD1 3.46
&rst
ixpk= 0, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1260,1261,1262,
&end
#
# 54 LYS HA 59 ILE QD1 4.06
&rst
ixpk= 0, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1260,1261,1262,
&end
#
# 54 LYS HB2 54 LYS HD2 3.94
&rst
ixpk= 0, nxpk= 0, iat=1167,1173, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 54 LYS HG3 55 GLN HG3 5.20
&rst
ixpk= 0, nxpk= 0, iat=1171,1193, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 55 GLN H 55 GLN HG2 3.45
&rst
ixpk= 0, nxpk= 0, iat=1185,1192, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 55 GLN H 102 PHE HZ 4.18
&rst
ixpk= 0, nxpk= 0, iat=1185,1926, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 55 GLN HB2 55 GLN HE22 4.51
&rst
ixpk= 0, nxpk= 0, iat=1189,1197, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 55 GLN HG3 55 GLN HE21 3.46
&rst
ixpk= 0, nxpk= 0, iat=1193,1198, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 55 GLN HG3 102 PHE HZ 5.04
&rst
ixpk= 0, nxpk= 0, iat=1193,1926, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 56 ILE H 56 ILE QG2 3.76
&rst
ixpk= 0, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2=1208,1209,1210,
&end
#
# 56 ILE HA 102 PHE HZ 5.50
&rst
ixpk= 0, nxpk= 0, iat=1204,1926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HA 102 PHE QE 5.28
&rst
ixpk= 0, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1924,1928,
&end
#
# 56 ILE HB 56 ILE QD1 3.53
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1215,1216,1217,
&end
#
# 56 ILE HB 98 ALA HA 4.17
&rst
ixpk= 0, nxpk= 0, iat=1206,1851, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 56 ILE HG13 98 ALA QB 3.92
&rst
ixpk= 0, nxpk= 0, iat=1213, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1853,1854,1855,
&end
#
# 56 ILE HG13 102 PHE HZ 5.12
&rst
ixpk= 0, nxpk= 0, iat=1213,1926, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 56 ILE QD1 97 ALA HA 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 101 TRP HA 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1892, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 101 TRP HB2 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1894, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 101 TRP HD1 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1898, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 101 TRP HE3 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1909, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 101 TRP HZ2 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1903, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1215,1216,1217,
&end
#
# 56 ILE QD1 102 PHE QD 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1215,1216,1217,
igr2=1922,1930,
&end
#
# 56 ILE QG2 56 ILE HG12 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1212, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 57 GLY H 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1221, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 89 PHE QD 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
igr1=1208,1209,1210,
igr2=1732,1740,
&end
#
# 56 ILE QG2 97 ALA HA 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1841, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1208,1209,1210,
&end
#
# 56 ILE QG2 98 ALA HA 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1851, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1208,1209,1210,
&end
#
# 58 ILE HB 58 ILE QD1 3.61
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1241,1242,1243,
&end
#
# 58 ILE HB 90 ASP H 4.20
&rst
ixpk= 0, nxpk= 0, iat=1232,1744, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 58 ILE QG2 90 ASP H 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1,1744, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1234,1235,1236,
&end
#
# 58 ILE QG2 90 ASP HB2 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1748, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1234,1235,1236,
&end
#
# 59 ILE H 59 ILE QD1 3.68
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1260,1261,1262,
&end
#
# 59 ILE H 59 ILE QG1 3.65
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1257,1258,
&end
#
# 59 ILE H 89 PHE QD 5.26
&rst
ixpk= 0, nxpk= 0, iat=1247, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1732,1740,
&end
#
# 59 ILE HA 89 PHE HA 3.47
&rst
ixpk= 0, nxpk= 0, iat=1249,1726, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 59 ILE QD1 89 PHE QE 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1260,1261,1262,
igr2=1734,1738,
&end
#
# 59 ILE QG2 87 VAL QG2 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1=1253,1254,1255,
igr2=1707,1708,1709,
&end
#
# 59 ILE QG2 89 PHE QD 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr1=1253,1254,1255,
igr2=1732,1740,
&end
#
# 60 LYS H 88 SER H 5.48
&rst
ixpk= 0, nxpk= 0, iat=1266,1713, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 60 LYS H 89 PHE HB2 5.18
&rst
ixpk= 0, nxpk= 0, iat=1266,1728, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 60 LYS H 90 ASP HA 4.46
&rst
ixpk= 0, nxpk= 0, iat=1266,1746, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 60 LYS HA 60 LYS QD 4.26
&rst
ixpk= 0, nxpk= 0, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1276,1277,
&end
#
# 60 LYS HA 90 ASP HB3 4.64
&rst
ixpk= 0, nxpk= 0, iat=1268,1749, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 60 LYS HB2 90 ASP HA 3.80
&rst
ixpk= 0, nxpk= 0, iat=1270,1746, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 60 LYS HB3 61 THR H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1271,1288, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 60 LYS HB3 88 SER QB 5.03
&rst
ixpk= 0, nxpk= 0, iat=1271, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1717,1718,
&end
#
# 60 LYS QD 88 SER QB 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1276,1277,
igr2=1717,1718,
&end
#
# 60 LYS QE 61 THR H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1279,1280,
&end
#
# 61 THR H 61 THR QG2 3.89
&rst
ixpk= 0, nxpk= 0, iat=1288, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1294,1295,1296,
&end
#
# 61 THR HB 68 PRO HA 4.91
&rst
ixpk= 0, nxpk= 0, iat=1292,1408, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 61 THR QG2 64 LYS H 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1294,1295,1296,
&end
#
# 61 THR QG2 68 PRO HD3 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1294,1295,1296,
&end
#
# 62 ASN H 62 ASN HD21 3.93
&rst
ixpk= 0, nxpk= 0, iat=1302,1312, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 62 ASN H 65 THR H 5.37
&rst
ixpk= 0, nxpk= 0, iat=1302,1360, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 62 ASN H 65 THR HG1 5.07
&rst
ixpk= 0, nxpk= 0, iat=1302,1370, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 62 ASN HA 62 ASN HD22 4.41
&rst
ixpk= 0, nxpk= 0, iat=1304,1311, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 62 ASN HB2 66 GLY H 3.76
&rst
ixpk= 0, nxpk= 0, iat=1306,1374, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 62 ASN HB2 67 GLN H 3.98
&rst
ixpk= 0, nxpk= 0, iat=1306,1381, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 62 ASN HD22 64 LYS QB 4.82
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2=1342,1343,
&end
#
# 62 ASN HD22 65 THR QG2 4.51
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1366,1367,1368,
&end
#
# 62 ASN HD22 69 MET HG2 4.85
&rst
ixpk= 0, nxpk= 0, iat=1311,1419, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 62 ASN HD22 69 MET QE 4.54
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1423,1424,1425,
&end
#
# 63 LYS H 63 LYS QB 3.16
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1320,1321,
&end
#
# 63 LYS H 64 LYS H 3.48
&rst
ixpk= 0, nxpk= 0, iat=1316,1338, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 63 LYS HA 63 LYS QG 3.56
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1323,1324,
&end
#
# 64 LYS H 65 THR H 2.82
&rst
ixpk= 0, nxpk= 0, iat=1338,1360, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 64 LYS HA 64 LYS QD 3.83
&rst
ixpk= 0, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1348,1349,
&end
#
# 64 LYS QB 64 LYS QD 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1342,1343,
igr2=1348,1349,
&end
#
# 64 LYS QB 64 LYS QE 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=1342,1343,
igr2=1351,1352,
&end
#
# 65 THR H 65 THR HG1 3.98
&rst
ixpk= 0, nxpk= 0, iat=1360,1370, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 65 THR H 66 GLY H 2.76
&rst
ixpk= 0, nxpk= 0, iat=1360,1374, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 65 THR H 66 GLY HA2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1360,1376, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 65 THR HA 66 GLY H 3.57
&rst
ixpk= 0, nxpk= 0, iat=1362,1374, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 65 THR HB 67 GLN HG3 4.28
&rst
ixpk= 0, nxpk= 0, iat=1364,1389, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 65 THR HG1 66 GLY H 4.18
&rst
ixpk= 0, nxpk= 0, iat=1370,1374, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 65 THR HG1 67 GLN HE21 4.90
&rst
ixpk= 0, nxpk= 0, iat=1370,1394, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 66 GLY H 67 GLN HG2 4.54
&rst
ixpk= 0, nxpk= 0, iat=1374,1388, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 67 GLN HA 67 GLN HG3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1383,1389, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 67 GLN HB2 68 PRO HD2 3.69
&rst
ixpk= 0, nxpk= 0, iat=1385,1399, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 67 GLN HB3 68 PRO HD2 4.26
&rst
ixpk= 0, nxpk= 0, iat=1386,1399, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 67 GLN HG3 68 PRO HD2 4.46
&rst
ixpk= 0, nxpk= 0, iat=1389,1399, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 69 MET H 69 MET HB3 3.53
&rst
ixpk= 0, nxpk= 0, iat=1412,1417, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 69 MET HB2 88 SER H 3.82
&rst
ixpk= 0, nxpk= 0, iat=1416,1713, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 MET HB3 70 ILE H 4.07
&rst
ixpk= 0, nxpk= 0, iat=1417,1429, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 69 MET HB3 88 SER H 3.88
&rst
ixpk= 0, nxpk= 0, iat=1417,1713, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 69 MET HB3 88 SER QB 3.93
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1717,1718,
&end
#
# 69 MET HG2 69 MET QE 3.38
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1423,1424,1425,
&end
#
# 69 MET HG2 70 ILE H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1419,1429, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 70 ILE HA 71 ASN HA 4.55
&rst
ixpk= 0, nxpk= 0, iat=1431,1450, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 70 ILE HA 87 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1703,1704,1705,
&end
#
# 70 ILE HA 87 VAL QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1431, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1707,1708,1709,
&end
#
# 70 ILE HA 88 SER H 4.47
&rst
ixpk= 0, nxpk= 0, iat=1431,1713, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 70 ILE HG12 87 VAL QG1 4.62
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1703,1704,1705,
&end
#
# 70 ILE HG12 87 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1439, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1707,1708,1709,
&end
#
# 70 ILE HG13 87 VAL QG2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1440, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1707,1708,1709,
&end
#
# 70 ILE QD1 87 VAL HA 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1699, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1442,1443,1444,
&end
#
# 70 ILE QG2 70 ILE HG13 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1440, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1435,1436,1437,
&end
#
# 71 ASN H 71 ASN HD22 4.82
&rst
ixpk= 0, nxpk= 0, iat=1448,1457, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 71 ASN H 73 TYR QE 5.37
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1491,1496,
&end
#
# 71 ASN H 87 VAL HA 4.31
&rst
ixpk= 0, nxpk= 0, iat=1448,1699, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 71 ASN H 87 VAL QG2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1707,1708,1709,
&end
#
# 71 ASN H 88 SER H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1448,1713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 ASN HA 71 ASN HD21 4.70
&rst
ixpk= 0, nxpk= 0, iat=1450,1458, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 71 ASN HB2 71 ASN HD21 3.46
&rst
ixpk= 0, nxpk= 0, iat=1452,1458, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 71 ASN HB2 86 THR QG2 5.10
&rst
ixpk= 0, nxpk= 0, iat=1452, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1689,1690,1691,
&end
#
# 71 ASN HB3 72 LEU H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1453,1462, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 71 ASN HB3 73 TYR QE 4.13
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1491,1496,
&end
#
# 71 ASN HB3 86 THR H 4.44
&rst
ixpk= 0, nxpk= 0, iat=1453,1683, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 71 ASN HB3 86 THR QG2 5.21
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1689,1690,1691,
&end
#
# 72 LEU H 72 LEU QD2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1462, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1475,1476,1477,
&end
#
# 72 LEU HA 85 ALA HA 3.84
&rst
ixpk= 0, nxpk= 0, iat=1464,1675, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 72 LEU HA 86 THR H 4.87
&rst
ixpk= 0, nxpk= 0, iat=1464,1683, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 72 LEU HB2 72 LEU QD2 3.82
&rst
ixpk= 0, nxpk= 0, iat=1466, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1475,1476,1477,
&end
#
# 72 LEU HB3 72 LEU QD1 3.74
&rst
ixpk= 0, nxpk= 0, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1471,1472,1473,
&end
#
# 72 LEU QD2 85 ALA QB 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1475,1476,1477,
igr2=1677,1678,1679,
&end
#
# 73 TYR QD 85 ALA HA 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1675, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1489,1498,
&end
#
# 73 TYR QD 86 THR H 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1489,1498,
&end
#
# 73 TYR QE 86 THR H 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1=1491,1496,
&end
#
# 74 THR H 74 THR QG2 4.00
&rst
ixpk= 0, nxpk= 0, iat=1502, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1508,1509,1510,
&end
#
# 74 THR H 75 ASP H 4.55
&rst
ixpk= 0, nxpk= 0, iat=1502,1516, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 74 THR H 82 LYS H 5.13
&rst
ixpk= 0, nxpk= 0, iat=1502,1629, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 74 THR HA 82 LYS HA 4.73
&rst
ixpk= 0, nxpk= 0, iat=1504,1631, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 74 THR HB 75 ASP H 3.60
&rst
ixpk= 0, nxpk= 0, iat=1506,1516, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 74 THR QG2 75 ASP H 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1508,1509,1510,
&end
#
# 74 THR QG2 79 GLY H 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1508,1509,1510,
&end
#
# 74 THR QG2 79 GLY HA2 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1583, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1508,1509,1510,
&end
#
# 74 THR QG2 79 GLY HA3 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1584, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1508,1509,1510,
&end
#
# 74 THR QG2 82 LYS H 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1629, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1508,1509,1510,
&end
#
# 75 ASP HB2 80 LYS H 4.23
&rst
ixpk= 0, nxpk= 0, iat=1520,1588, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 75 ASP HB3 76 ARG H 4.76
&rst
ixpk= 0, nxpk= 0, iat=1521,1528, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 76 ARG H 76 ARG QD 4.85
&rst
ixpk= 0, nxpk= 0, iat=1528, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1538,1539,
&end
#
# 77 GLU H 78 THR QG2 4.48
&rst
ixpk= 0, nxpk= 0, iat=1552, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1573,1574,1575,
&end
#
# 77 GLU HA 77 GLU HG3 3.68
&rst
ixpk= 0, nxpk= 0, iat=1554,1560, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 77 GLU QB 79 GLY H 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1581, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1556,1557,
&end
#
# 78 THR H 79 GLY HA3 5.07
&rst
ixpk= 0, nxpk= 0, iat=1567,1584, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 78 THR HA 78 THR QG2 2.91
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1573,1574,1575,
&end
#
# 78 THR HA 80 LYS QD 5.26
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1598,1599,
&end
#
# 78 THR QG2 80 LYS H 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1588, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1573,1574,1575,
&end
#
# 79 GLY H 79 GLY HA2 2.94
&rst
ixpk= 0, nxpk= 0, iat=1581,1583, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 79 GLY H 80 LYS QG 4.15
&rst
ixpk= 0, nxpk= 0, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1595,1596,
&end
#
# 79 GLY HA2 80 LYS H 3.47
&rst
ixpk= 0, nxpk= 0, iat=1583,1588, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 80 LYS H 80 LYS HB2 3.66
&rst
ixpk= 0, nxpk= 0, iat=1588,1592, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 81 LEU HA 81 LEU QD1 3.82
&rst
ixpk= 0, nxpk= 0, iat=1612, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1619,1620,1621,
&end
#
# 81 LEU HB2 81 LEU QD1 4.00
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1619,1620,1621,
&end
#
# 82 LYS H 82 LYS HG2 3.33
&rst
ixpk= 0, nxpk= 0, iat=1629,1636, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 82 LYS H 84 GLU H 4.21
&rst
ixpk= 0, nxpk= 0, iat=1629,1658, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 85 ALA H 85 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat=1673, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1677,1678,1679,
&end
#
# 85 ALA QB 86 THR H 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1683, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1677,1678,1679,
&end
#
# 86 THR H 86 THR QG2 3.78
&rst
ixpk= 0, nxpk= 0, iat=1683, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1689,1690,1691,
&end
#
# 87 VAL H 88 SER H 4.56
&rst
ixpk= 0, nxpk= 0, iat=1697,1713, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 87 VAL H 89 PHE QE 4.80
&rst
ixpk= 0, nxpk= 0, iat=1697, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1734,1738,
&end
#
# 87 VAL QG1 88 SER H 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1713, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1703,1704,1705,
&end
#
# 89 PHE HB2 94 SER HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=1728,1800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 PHE HB3 90 ASP H 3.54
&rst
ixpk= 0, nxpk= 0, iat=1729,1744, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 89 PHE HB3 94 SER HB2 4.65
&rst
ixpk= 0, nxpk= 0, iat=1729,1800, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 89 PHE QD 95 ALA H 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1807, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1732,1740,
&end
#
# 89 PHE QD 95 ALA HA 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1809, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1732,1740,
&end
#
# 89 PHE QE 98 ALA H 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1849, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1734,1738,
&end
#
# 91 ASP HA 94 SER H 4.91
&rst
ixpk= 0, nxpk= 0, iat=1758,1796, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 91 ASP HB2 92 PRO HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1760,1770, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 91 ASP HB3 92 PRO HD2 4.94
&rst
ixpk= 0, nxpk= 0, iat=1761,1769, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 91 ASP HB3 92 PRO HD3 4.94
&rst
ixpk= 0, nxpk= 0, iat=1761,1770, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 91 ASP HB3 93 PRO HD2 4.77
&rst
ixpk= 0, nxpk= 0, iat=1761,1783, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 91 ASP HB3 94 SER H 4.10
&rst
ixpk= 0, nxpk= 0, iat=1761,1796, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 92 PRO HD2 93 PRO HD3 4.89
&rst
ixpk= 0, nxpk= 0, iat=1769,1784, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 92 PRO QG 93 PRO HD2 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1783, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1772,1773,
&end
#
# 92 PRO QG 93 PRO HD3 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1784, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1772,1773,
&end
#
# 93 PRO HA 96 LYS HB2 4.62
&rst
ixpk= 0, nxpk= 0, iat=1792,1821, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 93 PRO HB2 94 SER H 3.99
&rst
ixpk= 0, nxpk= 0, iat=1789,1796, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 93 PRO HB3 94 SER H 4.14
&rst
ixpk= 0, nxpk= 0, iat=1790,1796, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 93 PRO HG3 94 SER H 4.04
&rst
ixpk= 0, nxpk= 0, iat=1787,1796, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 94 SER H 94 SER HB3 3.61
&rst
ixpk= 0, nxpk= 0, iat=1796,1801, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 94 SER H 95 ALA H 3.04
&rst
ixpk= 0, nxpk= 0, iat=1796,1807, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 94 SER HA 97 ALA H 3.56
&rst
ixpk= 0, nxpk= 0, iat=1798,1839, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 94 SER HA 98 ALA H 4.16
&rst
ixpk= 0, nxpk= 0, iat=1798,1849, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 94 SER HB2 95 ALA H 3.91
&rst
ixpk= 0, nxpk= 0, iat=1800,1807, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 94 SER HB3 97 ALA H 5.50
&rst
ixpk= 0, nxpk= 0, iat=1801,1839, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA H 96 LYS HB3 5.49
&rst
ixpk= 0, nxpk= 0, iat=1807,1822, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 96 LYS H 99 ILE QD1 4.54
&rst
ixpk= 0, nxpk= 0, iat=1817, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1872,1873,1874,
&end
#
# 96 LYS HA 96 LYS HD2 4.05
&rst
ixpk= 0, nxpk= 0, iat=1819,1827, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 96 LYS HA 99 ILE HB 4.30
&rst
ixpk= 0, nxpk= 0, iat=1819,1863, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 96 LYS HA 100 ASP H 4.51
&rst
ixpk= 0, nxpk= 0, iat=1819,1878, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 96 LYS HA 116 PHE HZ 3.82
&rst
ixpk= 0, nxpk= 0, iat=1819,2136, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 96 LYS HA 116 PHE QE 4.32
&rst
ixpk= 0, nxpk= 0, iat=1819, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=2134,2138,
&end
#
# 97 ALA HA 99 ILE H 4.42
&rst
ixpk= 0, nxpk= 0, iat=1841,1859, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 97 ALA QB 98 ALA QB 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1843,1844,1845,
igr2=1853,1854,1855,
&end
#
# 98 ALA H 99 ILE QD1 5.10
&rst
ixpk= 0, nxpk= 0, iat=1849, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1872,1873,1874,
&end
#
# 98 ALA H 100 ASP H 4.99
&rst
ixpk= 0, nxpk= 0, iat=1849,1878, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 98 ALA HA 101 TRP HB2 4.47
&rst
ixpk= 0, nxpk= 0, iat=1851,1894, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 98 ALA HA 101 TRP HB3 4.39
&rst
ixpk= 0, nxpk= 0, iat=1851,1895, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 98 ALA HA 102 PHE QD 3.47
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1922,1930,
&end
#
# 98 ALA HA 102 PHE QE 4.62
&rst
ixpk= 0, nxpk= 0, iat=1851, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1924,1928,
&end
#
# 98 ALA QB 99 ILE HA 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1861, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1853,1854,1855,
&end
#
# 98 ALA QB 102 PHE HB2 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1918, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1=1853,1854,1855,
&end
#
# 98 ALA QB 114 VAL HB 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,2101, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1853,1854,1855,
&end
#
# 99 ILE H 101 TRP H 4.03
&rst
ixpk= 0, nxpk= 0, iat=1859,1890, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 99 ILE HG12 100 ASP H 4.82
&rst
ixpk= 0, nxpk= 0, iat=1869,1878, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 99 ILE HG12 115 SER H 4.62
&rst
ixpk= 0, nxpk= 0, iat=1869,2113, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 99 ILE HG12 115 SER HA 4.30
&rst
ixpk= 0, nxpk= 0, iat=1869,2115, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 99 ILE QD1 116 PHE H 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,2124, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1872,1873,1874,
&end
#
# 99 ILE QG2 100 ASP H 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1878, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1865,1866,1867,
&end
#
# 99 ILE QG2 103 ASP HB2 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1938, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1865,1866,1867,
&end
#
# 99 ILE QG2 103 ASP HB3 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1939, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1865,1866,1867,
&end
#
# 99 ILE QG2 115 SER HA 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,2115, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1865,1866,1867,
&end
#
# 100 ASP H 101 TRP H 3.21
&rst
ixpk= 0, nxpk= 0, iat=1878,1890, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 100 ASP HB2 101 TRP H 3.80
&rst
ixpk= 0, nxpk= 0, iat=1882,1890, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 101 TRP HB2 101 TRP HD1 3.76
&rst
ixpk= 0, nxpk= 0, iat=1894,1898, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 101 TRP HB3 102 PHE QD 4.23
&rst
ixpk= 0, nxpk= 0, iat=1895, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1922,1930,
&end
#
# 101 TRP HD1 102 PHE QD 3.89
&rst
ixpk= 0, nxpk= 0, iat=1898, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1922,1930,
&end
#
# 101 TRP HE1 102 PHE QD 4.52
&rst
ixpk= 0, nxpk= 0, iat=1900, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1922,1930,
&end
#
# 102 PHE H 114 VAL QG1 4.86
&rst
ixpk= 0, nxpk= 0, iat=1914, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=2103,2104,2105,
&end
#
# 102 PHE HA 105 LYS HG2 4.23
&rst
ixpk= 0, nxpk= 0, iat=1916,1960, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 102 PHE HA 105 LYS HG3 3.66
&rst
ixpk= 0, nxpk= 0, iat=1916,1961, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 102 PHE QD 103 ASP H 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1934, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1922,1930,
&end
#
# 102 PHE QD 105 LYS HD2 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1=1922,1930,
&end
#
# 103 ASP H 114 VAL HB 3.67
&rst
ixpk= 0, nxpk= 0, iat=1934,2101, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 103 ASP H 114 VAL QG2 3.72
&rst
ixpk= 0, nxpk= 0, iat=1934, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=2107,2108,2109,
&end
#
# 103 ASP HA 114 VAL H 3.42
&rst
ixpk= 0, nxpk= 0, iat=1936,2097, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 103 ASP HA 114 VAL QG1 4.48
&rst
ixpk= 0, nxpk= 0, iat=1936, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=2103,2104,2105,
&end
#
# 103 ASP HB2 114 VAL H 4.00
&rst
ixpk= 0, nxpk= 0, iat=1938,2097, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 103 ASP HB2 114 VAL HB 4.45
&rst
ixpk= 0, nxpk= 0, iat=1938,2101, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 103 ASP HB2 114 VAL QG1 4.76
&rst
ixpk= 0, nxpk= 0, iat=1938, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=2103,2104,2105,
&end
#
# 103 ASP HB3 114 VAL HB 4.53
&rst
ixpk= 0, nxpk= 0, iat=1939,2101, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 103 ASP HB3 114 VAL QG2 5.06
&rst
ixpk= 0, nxpk= 0, iat=1939, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2=2107,2108,2109,
&end
#
# 104 GLY H 112 ILE H 5.25
&rst
ixpk= 0, nxpk= 0, iat=1946,2056, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 104 GLY H 114 VAL HB 5.07
&rst
ixpk= 0, nxpk= 0, iat=1946,2101, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 104 GLY H 114 VAL QG2 3.97
&rst
ixpk= 0, nxpk= 0, iat=1946, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=2107,2108,2109,
&end
#
# 105 LYS H 105 LYS HB3 3.70
&rst
ixpk= 0, nxpk= 0, iat=1953,1958, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 105 LYS H 112 ILE H 4.31
&rst
ixpk= 0, nxpk= 0, iat=1953,2056, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 105 LYS HA 105 LYS HG3 3.78
&rst
ixpk= 0, nxpk= 0, iat=1955,1961, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 106 GLU HA 106 GLU HG2 3.75
&rst
ixpk= 0, nxpk= 0, iat=1977,1982, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 107 PHE H 110 ASN H 3.11
&rst
ixpk= 0, nxpk= 0, iat=1990,2028, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 107 PHE HA 109 GLY H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1992,2021, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 107 PHE HA 110 ASN H 4.34
&rst
ixpk= 0, nxpk= 0, iat=1992,2028, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 107 PHE HB3 112 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=1995,2058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 107 PHE HB3 112 ILE QD1 3.87
&rst
ixpk= 0, nxpk= 0, iat=1995, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=2069,2070,2071,
&end
#
# 107 PHE QD 107 PHE HZ 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,2002, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1998,2006,
&end
#
# 107 PHE QD 110 ASN HD21 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1998,2006,
&end
#
# 108 SER HB3 110 ASN HD21 4.51
&rst
ixpk= 0, nxpk= 0, iat=2015,2038, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 109 GLY H 110 ASN HA 5.20
&rst
ixpk= 0, nxpk= 0, iat=2021,2030, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 109 GLY HA2 110 ASN H 3.46
&rst
ixpk= 0, nxpk= 0, iat=2023,2028, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 110 ASN H 112 ILE QG2 4.42
&rst
ixpk= 0, nxpk= 0, iat=2028, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=2062,2063,2064,
&end
#
# 110 ASN HA 111 PRO HB2 5.50
&rst
ixpk= 0, nxpk= 0, iat=2030,2049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 110 ASN HA 111 PRO HB3 4.85
&rst
ixpk= 0, nxpk= 0, iat=2030,2050, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 110 ASN QB 110 ASN HD21 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1,2038, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1=2032,2033,
&end
#
# 110 ASN QB 110 ASN HD22 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1,2037, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=2032,2033,
&end
#
# 111 PRO HB2 112 ILE HA 5.50
&rst
ixpk= 0, nxpk= 0, iat=2049,2058, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 112 ILE HA 112 ILE HG13 4.16
&rst
ixpk= 0, nxpk= 0, iat=2058,2067, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 112 ILE QD1 113 LYS HA 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,2077, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1=2069,2070,2071,
&end
#
# 112 ILE QD1 114 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=2069,2070,2071,
igr2=2107,2108,2109,
&end
#
# 112 ILE QG2 113 LYS H 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1,2075, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=2062,2063,2064,
&end
#
# 113 LYS H 114 VAL QG2 4.14
&rst
ixpk= 0, nxpk= 0, iat=2075, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=2107,2108,2109,
&end
#
# 113 LYS HA 114 VAL QG2 4.46
&rst
ixpk= 0, nxpk= 0, iat=2077, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=2107,2108,2109,
&end
#
# 113 LYS HB3 113 LYS QD 3.56
&rst
ixpk= 0, nxpk= 0, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=2085,2086,
&end
#
# 113 LYS HB3 113 LYS QE 4.63
&rst
ixpk= 0, nxpk= 0, iat=2080, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=2088,2089,
&end
#
# 114 VAL H 114 VAL QG2 3.37
&rst
ixpk= 0, nxpk= 0, iat=2097, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=2107,2108,2109,
&end
#
# 114 VAL H 115 SER H 4.62
&rst
ixpk= 0, nxpk= 0, iat=2097,2113, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 114 VAL QG2 115 SER H 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,2113, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=2107,2108,2109,
&end
#
# 115 SER HB2 116 PHE H 3.78
&rst
ixpk= 0, nxpk= 0, iat=2117,2124, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 116 PHE H 116 PHE HB3 3.55
&rst
ixpk= 0, nxpk= 0, iat=2124,2129, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 116 PHE H 117 ALA QB 5.50
&rst
ixpk= 0, nxpk= 0, iat=2124, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=2148,2149,2150,
&end
#
# 116 PHE HB3 117 ALA H 3.88
&rst
ixpk= 0, nxpk= 0, iat=2129,2144, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 116 PHE QD 117 ALA H 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=2132,2140,
&end
#
# 116 PHE QE 117 ALA H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2144, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1=2134,2138,
&end
#
# 118 THR HA 118 THR QG2 3.28
&rst
ixpk= 0, nxpk= 0, iat=2156, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=2160,2161,2162,
&end
#
# 119 ARG H 119 ARG HB2 3.71
&rst
ixpk= 0, nxpk= 0, iat=2168,2172, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 119 ARG H 119 ARG QG 3.65
&rst
ixpk= 0, nxpk= 0, iat=2168, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=2175,2176,
&end
#
# 119 ARG HB3 119 ARG QD 3.57
&rst
ixpk= 0, nxpk= 0, iat=2173, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=2178,2179,
&end
#
# 120 ARG QG 123 PHE QE 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=2199,2200,
igr2=2248,2252,
&end
#
# 121 ALA H 121 ALA QB 2.92
&rst
ixpk= 0, nxpk= 0, iat=2216, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=2220,2221,2222,
&end
#
# 121 ALA HA 122 ASP HA 4.95
&rst
ixpk= 0, nxpk= 0, iat=2218,2228, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 121 ALA HA 123 PHE H 4.50
&rst
ixpk= 0, nxpk= 0, iat=2218,2238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 121 ALA QB 122 ASP QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1=2220,2221,2222,
igr2=2230,2231,
&end
#
# 121 ALA QB 123 PHE H 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,2238, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=2220,2221,2222,
&end
#
# 122 ASP HA 122 ASP QB 2.90
&rst
ixpk= 0, nxpk= 0, iat=2228, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=2230,2231,
&end
#
# 123 PHE HB2 124 ASN H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2242,2258, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 123 PHE HB3 124 ASN H 4.11
&rst
ixpk= 0, nxpk= 0, iat=2243,2258, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 124 ASN H 124 ASN HB2 3.78
&rst
ixpk= 0, nxpk= 0, iat=2258,2262, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 124 ASN H 124 ASN HB3 3.78
&rst
ixpk= 0, nxpk= 0, iat=2258,2263, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 125 ARG H 125 ARG QD 4.18
&rst
ixpk= 0, nxpk= 0, iat=2272, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=2282,2283,
&end
#
# 125 ARG HB3 125 ARG QG 2.95
&rst
ixpk= 0, nxpk= 0, iat=2277, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=2279,2280,
&end
Contact the webmaster for help, if required. Sunday, May 5, 2024 8:45:18 PM GMT (wattos1)